#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf9 s SER 2 N 0.00 4.10 -0.30 1.61 0.15 -1.26 -5.02 113.70 112.99 1wf9 s SER 2 Ca 0.00 -2.84 -0.15 0.00 0.70 0.00 0.00 55.95 53.66 1wf9 s SER 2 Cb 0.00 -1.43 0.18 0.00 -1.71 0.00 0.00 66.02 63.06 1wf9 s SER 2 CO 0.00 -0.25 1.09 -0.55 1.20 0.00 0.00 173.24 174.73 1wf9 s SER 3 N -0.01 -0.39 -0.93 5.45 0.15 -1.26 -5.09 113.70 111.61 1wf9 s SER 3 Ca 0.17 0.33 -0.02 0.00 0.70 0.00 0.00 55.95 57.13 1wf9 s SER 3 Cb -0.25 1.36 0.25 0.00 -1.71 0.00 0.00 66.02 65.67 1wf9 s SER 3 CO -0.00 -0.07 0.94 0.61 1.20 0.00 0.00 173.24 175.91 1wf9 n GLY 4 N 5.27 4.38 3.77 9.45 0.00 -1.26 -5.06 105.19 121.74 1wf9 n GLY 4 Ca -0.07 -2.63 -0.35 0.00 0.00 0.00 0.00 46.02 42.97 1wf9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wf9 s SER 5 N -0.48 5.63 0.04 1.61 0.15 -1.26 -4.97 113.70 114.42 1wf9 s SER 5 Ca 0.30 2.15 -0.17 0.00 0.70 0.00 0.00 55.95 58.94 1wf9 s SER 5 Cb -0.03 -2.58 -0.08 0.00 -1.71 0.00 0.00 66.02 61.63 1wf9 s SER 5 CO -0.07 -1.28 1.26 -1.28 1.20 0.00 0.00 173.24 173.07 1wf9 h SER 6 N 1.03 -0.68 0.00 5.45 0.87 -1.97 -3.48 113.55 114.77 1wf9 h SER 6 Ca -0.50 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1wf9 h SER 6 Cb 1.26 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1wf9 h SER 6 CO 0.56 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.18 1wf9 n GLY 7 N -1.25 2.51 3.47 5.77 0.00 -1.26 -5.13 105.19 109.30 1wf9 n GLY 7 Ca -0.05 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 1wf9 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wf9 s THR 8 N 0.00 3.84 -0.12 2.61 2.01 -1.24 -5.02 115.64 117.71 1wf9 s THR 8 Ca 0.00 -0.37 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 1wf9 s THR 8 Cb 0.00 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 1wf9 s THR 8 CO 0.00 0.48 -0.06 -0.32 -0.69 0.00 0.00 174.62 174.03 1wf9 s MET 9 N 0.56 3.34 0.32 4.92 1.75 -1.26 -0.72 119.30 128.21 1wf9 s MET 9 Ca -0.03 -0.55 0.08 0.00 -1.25 0.00 0.00 55.69 53.95 1wf9 s MET 9 Cb -0.14 -2.77 -0.04 0.00 2.84 0.00 0.00 34.83 34.71 1wf9 s MET 9 CO 0.03 0.38 0.11 -0.51 -0.65 0.00 0.00 175.02 174.37 1wf9 s LEU 10 N -0.02 3.27 -0.37 4.11 1.43 -0.82 -3.83 118.68 122.45 1wf9 s LEU 10 Ca 0.00 -0.72 -0.08 0.00 -1.03 0.00 0.00 54.13 52.30 1wf9 s LEU 10 Cb -0.13 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.38 1wf9 s LEU 10 CO 0.03 -0.22 0.17 -0.13 0.23 0.00 0.00 176.35 176.43 1wf9 s ARG 11 N -3.80 2.63 -0.35 1.70 0.52 -1.25 -3.00 118.95 115.39 1wf9 s ARG 11 Ca 0.36 -1.25 -0.12 0.00 -0.52 0.00 0.00 55.73 54.20 1wf9 s ARG 11 Cb -0.04 -3.60 0.01 0.00 0.52 0.00 0.00 34.95 31.84 1wf9 s ARG 11 CO 0.22 -0.76 0.21 0.08 0.02 0.00 0.00 175.30 175.07 1wf9 s VAL 12 N 1.43 4.85 -0.18 3.52 1.01 0.28 0.58 120.40 131.88 1wf9 s VAL 12 Ca 0.01 -0.56 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 1wf9 s VAL 12 Cb -0.20 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1wf9 s VAL 12 CO 0.03 -0.11 0.65 -0.60 0.00 0.00 0.00 175.10 175.07 1wf9 s ARG 13 N 1.63 4.25 0.22 2.72 6.06 0.14 0.12 118.95 134.09 1wf9 s ARG 13 Ca 0.04 0.68 0.04 0.00 -2.50 0.00 0.00 55.73 53.99 1wf9 s ARG 13 Cb -0.18 -3.56 -0.05 0.00 0.06 0.00 0.00 34.95 31.22 1wf9 s ARG 13 CO 0.08 -0.20 -0.02 -1.54 -2.50 0.00 0.00 175.30 171.12 1wf9 s SER 14 N 1.12 1.86 0.17 -2.12 1.04 0.53 0.16 113.70 116.46 1wf9 s SER 14 Ca 0.31 -1.20 -0.27 0.00 0.48 0.00 0.00 55.95 55.27 1wf9 s SER 14 Cb -0.16 0.00 0.01 0.00 0.10 0.00 0.00 66.02 65.97 1wf9 s SER 14 CO 0.11 -0.49 1.55 0.03 0.98 0.00 0.00 173.24 175.42 1wf9 h ARG 15 N 2.50 -0.09 -0.96 4.02 3.08 -1.97 0.67 114.38 121.62 1wf9 h ARG 15 Ca -0.38 0.01 0.25 0.00 0.07 0.00 0.00 59.98 59.93 1wf9 h ARG 15 Cb 1.22 0.02 -0.18 0.00 0.08 0.00 0.00 29.97 31.11 1wf9 h ARG 15 CO 0.64 -0.06 0.01 -0.44 -1.07 0.00 0.00 179.97 179.05 1wf9 h ASP 16 N -0.10 -0.49 0.00 7.04 3.32 -1.98 -3.46 116.42 120.75 1wf9 h ASP 16 Ca 0.19 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.51 1wf9 h ASP 16 Cb 0.50 0.48 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1wf9 h ASP 16 CO -0.86 -0.33 0.00 0.61 -1.72 0.00 0.00 179.24 176.94 1wf9 n GLY 17 N -1.50 -0.67 2.77 2.75 0.00 0.23 -5.09 105.19 103.69 1wf9 n GLY 17 Ca 0.22 0.45 -0.29 0.00 0.00 0.00 0.00 46.02 46.39 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 1.78 0.18 0.99 2.96 -1.26 -0.35 118.68 122.98 1wf9 s LEU 18 Ca 0.00 -1.16 0.04 0.00 -0.22 0.00 0.00 54.13 52.79 1wf9 s LEU 18 Cb 0.00 -0.79 -0.03 0.00 0.50 0.00 0.00 46.19 45.87 1wf9 s LEU 18 CO 0.00 -0.33 0.28 -1.61 -1.32 0.00 0.00 176.35 173.37 1wf9 s GLU 19 N 1.70 3.36 0.18 1.98 2.02 0.33 -4.93 118.70 123.34 1wf9 s GLU 19 Ca 0.02 -0.70 0.09 0.00 0.02 0.00 0.00 54.97 54.41 1wf9 s GLU 19 Cb -0.17 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1wf9 s GLU 19 CO -0.13 0.49 -0.20 -0.98 0.02 0.00 0.00 175.26 174.45 1wf9 s ARG 20 N -3.46 1.37 0.03 1.61 1.70 -1.26 1.00 118.95 119.94 1wf9 s ARG 20 Ca 0.34 -1.47 -0.11 0.00 -0.47 0.00 0.00 55.73 54.02 1wf9 s ARG 20 Cb -0.10 -1.49 0.01 0.00 -0.57 0.00 0.00 34.95 32.80 1wf9 s ARG 20 CO 0.28 0.30 0.23 0.08 -1.08 0.00 0.00 175.30 175.12 1wf9 s VAL 21 N -2.02 0.09 -0.17 4.99 1.01 -1.16 -4.93 120.40 118.21 1wf9 s VAL 21 Ca 0.18 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 1wf9 s VAL 21 Cb -0.06 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1wf9 s VAL 21 CO 0.08 -0.43 0.15 -0.55 0.00 0.00 0.00 175.10 174.35 1wf9 s SER 22 N -1.94 6.30 0.00 3.32 0.15 -1.26 -1.95 113.70 118.31 1wf9 s SER 22 Ca -0.07 0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1wf9 s SER 22 Cb -0.02 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 1wf9 s SER 22 CO -0.02 0.26 0.00 1.33 1.20 0.00 0.00 173.24 176.01 1wf9 n VAL 23 N 2.95 0.00 -0.05 4.45 0.24 0.10 -4.96 118.33 121.07 1wf9 n VAL 23 Ca -0.17 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.07 1wf9 n VAL 23 Cb 0.53 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.88 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 -0.70 1.38 0.00 -1.34 9.92 -1.26 -3.73 116.55 120.82 1wf9 n ASP 24 Ca 0.00 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 1wf9 n ASP 24 Cb 0.00 -0.59 0.00 0.00 -0.64 0.00 0.00 41.12 39.89 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 1.94 -0.61 0.18 0.44 0.00 -1.26 -4.40 105.19 101.48 1wf9 n GLY 25 Ca -0.08 -0.62 0.06 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.98 -2.95 132.00 128.81 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 0.36 0.14 1.12 -0.23 0.00 0.00 178.00 179.39 1wf9 h HIS 27 N 0.00 0.00 -2.92 1.56 2.07 -2.02 -3.40 115.15 110.44 1wf9 h HIS 27 Ca -0.00 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.00 1wf9 h HIS 27 Cb 1.02 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.99 1wf9 h HIS 27 CO 0.00 0.00 -0.25 0.96 -3.07 0.00 0.00 177.93 175.57 1wf9 s ILE 28 N -3.85 5.13 0.42 6.12 -5.25 -1.12 -5.09 121.20 117.57 1wf9 s ILE 28 Ca -0.03 -0.28 0.07 0.00 -0.99 0.00 0.00 60.65 59.42 1wf9 s ILE 28 Cb 0.09 -3.77 -0.03 0.00 2.95 0.00 0.00 42.46 41.70 1wf9 s ILE 28 CO 0.27 -0.31 0.31 0.42 -1.79 0.00 0.00 174.94 173.85 1wf9 s THR 29 N -2.04 2.52 0.35 8.37 -4.23 -1.26 -3.76 115.64 115.59 1wf9 s THR 29 Ca 0.40 -1.46 0.12 0.00 -1.18 0.00 0.00 61.69 59.57 1wf9 s THR 29 Cb -0.11 -2.98 0.34 0.00 1.34 0.00 0.00 72.50 71.10 1wf9 s THR 29 CO 0.31 0.00 1.78 0.58 -0.54 0.00 0.00 174.62 176.75 1wf9 h VAL 30 N 1.15 0.62 -0.35 2.29 2.07 -0.19 0.27 116.25 122.11 1wf9 h VAL 30 Ca -0.42 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 66.97 1wf9 h VAL 30 Cb 1.26 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1wf9 h VAL 30 CO 0.61 0.10 0.02 -1.28 0.02 0.00 0.00 177.57 177.05 1wf9 h SER 31 N 0.56 -0.10 -0.02 0.57 0.87 -1.68 0.46 113.55 114.21 1wf9 h SER 31 Ca 0.57 0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 61.08 1wf9 h SER 31 Cb 1.18 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 1wf9 h SER 31 CO -0.33 -0.01 -0.38 1.56 -0.53 0.00 0.00 176.83 177.13 1wf9 h GLN 32 N 0.12 0.52 0.32 2.24 4.20 -0.87 -2.04 115.11 119.60 1wf9 h GLN 32 Ca 0.17 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1wf9 h GLN 32 Cb 0.22 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1wf9 h GLN 32 CO -0.27 0.82 -0.15 1.25 -0.67 0.00 0.00 178.83 179.81 1wf9 h LEU 33 N 0.43 -0.36 0.11 1.46 5.85 0.39 -2.15 115.31 121.05 1wf9 h LEU 33 Ca 0.04 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wf9 h LEU 33 Cb 0.86 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1wf9 h LEU 33 CO 0.07 -0.19 -0.10 0.11 -0.34 0.00 0.00 178.44 177.99 1wf9 h LYS 34 N -0.50 -0.20 -0.67 1.25 1.57 -0.08 -1.73 116.57 116.20 1wf9 h LYS 34 Ca -0.04 0.01 0.22 0.00 -1.87 0.00 0.00 60.65 58.97 1wf9 h LYS 34 Cb 0.38 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.61 1wf9 h LYS 34 CO 0.07 -0.14 0.15 2.41 -0.57 0.00 0.00 179.45 181.38 1wf9 n THR 35 N -2.90 -0.28 0.06 -0.16 -1.04 -0.77 0.29 114.28 109.47 1wf9 n THR 35 Ca -0.03 1.43 -0.02 0.00 -2.04 0.00 0.00 64.05 63.40 1wf9 n THR 35 Cb 0.10 -2.18 -0.01 0.00 -1.82 0.00 0.00 70.33 66.41 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 -0.14 -0.93 -4.42 3.38 -0.73 -0.10 115.31 112.38 1wf9 h LEU 36 Ca 0.47 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.53 1wf9 h LEU 36 Cb 1.11 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 1wf9 h LEU 36 CO -0.59 -0.09 0.58 0.40 0.09 0.00 0.00 178.44 178.83 1wf9 h ILE 37 N -0.15 1.01 -0.97 1.22 5.03 0.70 0.49 117.51 124.83 1wf9 h ILE 37 Ca -0.01 -0.35 0.20 0.00 -0.12 0.00 0.00 64.86 64.58 1wf9 h ILE 37 Cb 0.12 -0.09 -0.09 0.00 -3.03 0.00 0.00 36.82 33.73 1wf9 h ILE 37 CO 0.02 0.18 0.62 -0.61 -0.68 0.00 0.00 178.15 177.68 1wf9 h GLN 38 N 1.01 0.57 0.00 2.37 4.15 0.44 1.38 115.11 125.02 1wf9 h GLN 38 Ca 0.42 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.81 1wf9 h GLN 38 Cb 0.27 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.83 1wf9 h GLN 38 CO -0.21 0.38 -0.19 0.22 -1.93 0.00 0.00 178.83 177.10 1wf9 h ASP 39 N 0.58 0.00 -0.55 -0.69 1.82 0.10 1.19 116.42 118.87 1wf9 h ASP 39 Ca 0.54 0.00 0.09 0.00 -0.39 0.00 0.00 57.03 57.27 1wf9 h ASP 39 Cb 1.07 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 40.98 1wf9 h ASP 39 CO -0.28 0.40 -0.38 1.56 -1.61 0.00 0.00 179.24 178.92 1wf9 h GLN 40 N -0.61 -0.21 0.00 0.28 4.20 0.01 0.63 115.11 119.42 1wf9 h GLN 40 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1wf9 h GLN 40 Cb 0.19 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1wf9 h GLN 40 CO 0.00 -0.14 0.00 -0.07 -0.67 0.00 0.00 178.83 177.95 1wf9 h LEU 41 N -0.21 0.00 -1.39 1.46 3.38 0.17 -3.47 115.31 115.24 1wf9 h LEU 41 Ca 0.20 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.91 1wf9 h LEU 41 Cb 0.56 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.42 1wf9 h LEU 41 CO -0.66 0.00 -0.52 0.00 0.09 0.00 0.00 178.44 177.35 1wf9 n GLN 42 N -2.93 -5.10 -4.87 1.13 1.13 0.22 -4.76 117.38 102.20 1wf9 n GLN 42 Ca 0.03 0.60 -0.28 0.00 -1.94 0.00 0.00 57.00 55.41 1wf9 n GLN 42 Cb 0.45 -4.89 -0.15 0.00 0.11 0.00 0.00 30.24 25.76 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 -3.24 1.79 -0.01 5.09 1.01 0.39 -0.26 121.20 125.98 1wf9 s ILE 43 Ca 0.18 -1.14 -0.30 0.00 0.00 0.00 0.00 60.65 59.39 1wf9 s ILE 43 Cb -0.08 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 1wf9 s ILE 43 CO 0.52 0.35 1.20 -2.16 0.00 0.00 0.00 174.94 174.84 1wf9 s PRO 44 N -0.93 4.39 0.13 2.79 0.04 -1.26 -4.00 135.00 136.16 1wf9 s PRO 44 Ca 0.09 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 1wf9 s PRO 44 Cb -0.09 -3.47 -0.05 0.00 0.04 0.00 0.00 34.50 30.93 1wf9 s PRO 44 CO 0.01 -0.36 1.59 0.82 0.04 0.00 0.00 177.00 179.10 1wf9 h ILE 45 N 4.81 0.16 -1.83 0.56 2.04 -1.92 0.85 117.51 122.19 1wf9 h ILE 45 Ca -0.37 0.00 0.54 0.00 1.00 0.00 0.00 64.86 66.02 1wf9 h ILE 45 Cb 1.19 0.16 -0.08 0.00 -0.74 0.00 0.00 36.82 37.35 1wf9 h ILE 45 CO 0.85 0.00 1.31 0.00 0.00 0.00 0.00 178.15 180.31 1wf9 n HIS 46 N -5.43 0.04 -0.06 1.37 1.44 -1.26 0.20 115.22 111.51 1wf9 n HIS 46 Ca -0.04 0.04 -0.22 0.00 -2.01 0.00 0.00 57.72 55.49 1wf9 n HIS 46 Cb 0.36 -0.50 -0.13 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 -3.85 2.02 -4.59 4.39 4.13 0.14 -4.94 115.26 112.56 1wf9 n ASN 47 Ca 0.42 0.21 -0.42 0.00 1.68 0.00 0.00 54.58 56.46 1wf9 n ASN 47 Cb 1.88 -0.80 0.00 0.00 -1.54 0.00 0.00 39.78 39.32 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 -3.76 1.27 -3.73 3.52 6.02 0.52 -3.88 117.38 117.34 1wf9 n GLN 48 Ca -0.37 0.45 -0.28 0.00 -0.01 0.00 0.00 57.00 56.79 1wf9 n GLN 48 Cb 0.93 -1.93 -0.16 0.00 1.02 0.00 0.00 30.24 30.10 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 -1.23 0.51 -0.09 5.09 2.01 0.39 -4.87 115.64 117.45 1wf9 s THR 49 Ca 0.62 -0.55 -0.19 0.00 0.31 0.00 0.00 61.69 61.88 1wf9 s THR 49 Cb -0.60 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1wf9 s THR 49 CO 0.58 -0.21 0.54 -0.76 -0.69 0.00 0.00 174.62 174.08 1wf9 s LEU 50 N 1.86 4.30 -0.27 4.42 2.01 -1.26 -1.76 118.68 127.98 1wf9 s LEU 50 Ca -0.01 0.94 -0.24 0.00 0.01 0.00 0.00 54.13 54.83 1wf9 s LEU 50 Cb -0.17 -2.80 0.09 0.00 0.01 0.00 0.00 46.19 43.32 1wf9 s LEU 50 CO -0.08 -0.01 0.82 -0.55 1.01 0.00 0.00 176.35 177.54 1wf9 s SER 51 N 0.55 -0.67 -0.27 2.29 0.15 -1.24 -3.97 113.70 110.53 1wf9 s SER 51 Ca 0.29 1.26 0.00 0.00 0.70 0.00 0.00 55.95 58.20 1wf9 s SER 51 Cb -0.16 1.28 0.26 0.00 -1.71 0.00 0.00 66.02 65.69 1wf9 s SER 51 CO 0.13 -0.22 1.75 0.35 1.20 0.00 0.00 173.24 176.46 1wf9 n THR 52 N 2.69 2.44 -4.05 6.45 -2.24 -1.26 -2.86 114.28 115.45 1wf9 n THR 52 Ca -0.14 -1.31 -0.13 0.00 -2.27 0.00 0.00 64.05 60.20 1wf9 n THR 52 Cb 0.56 -1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 67.59 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 0.07 0.61 0.30 3.42 3.84 -1.26 -5.02 114.94 116.90 1wf9 s ASN 53 Ca 0.29 -0.38 0.16 0.00 0.21 0.00 0.00 52.86 53.14 1wf9 s ASN 53 Cb 0.23 0.02 0.10 0.00 -0.55 0.00 0.00 41.25 41.05 1wf9 s ASN 53 CO 0.02 -0.14 1.46 0.08 -2.79 0.00 0.00 177.10 175.73 1wf9 h ARG 54 N 5.04 0.00 -0.07 0.43 0.11 -2.00 -3.16 114.38 114.72 1wf9 h ARG 54 Ca -0.32 0.00 0.02 0.00 0.10 0.00 0.00 59.98 59.78 1wf9 h ARG 54 Cb 1.20 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.28 1wf9 h ARG 54 CO 0.44 0.42 0.34 -0.91 0.10 0.00 0.00 179.97 180.36 1wf9 h ASN 55 N 0.00 0.00 -0.79 0.08 2.35 -1.98 0.13 115.58 115.37 1wf9 h ASN 55 Ca -0.01 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.86 1wf9 h ASN 55 Cb 1.33 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.62 1wf9 h ASN 55 CO 0.05 0.00 0.40 0.25 -1.65 0.00 0.00 177.43 176.49 1wf9 h LEU 56 N 0.00 0.50 -1.72 1.61 5.85 -1.94 0.91 115.31 120.52 1wf9 h LEU 56 Ca 0.03 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1wf9 h LEU 56 Cb 0.72 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1wf9 h LEU 56 CO -0.00 0.25 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.21 1wf9 h LEU 57 N 0.62 0.00 0.13 2.25 3.38 -1.00 -2.34 115.31 118.36 1wf9 h LEU 57 Ca 0.41 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 58.08 1wf9 h LEU 57 Cb 0.51 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.29 1wf9 h LEU 57 CO -0.32 0.06 -1.28 0.17 0.09 0.00 0.00 178.44 177.17 1wf9 h LEU 58 N 0.00 0.86 -9.17 1.67 8.10 0.62 -3.44 115.31 113.95 1wf9 h LEU 58 Ca -0.00 -0.82 -0.70 0.00 0.11 0.00 0.00 57.88 56.48 1wf9 h LEU 58 Cb 0.44 -0.27 0.01 0.00 -0.44 0.00 0.00 40.66 40.40 1wf9 h LEU 58 CO 0.01 1.62 0.99 0.00 -4.11 0.00 0.00 178.44 176.95 1wf9 n ALA 59 N -2.68 0.22 -0.04 0.17 0.00 0.53 -4.80 120.51 113.92 1wf9 n ALA 59 Ca -0.14 0.34 -0.02 0.00 0.00 0.00 0.00 53.44 53.62 1wf9 n ALA 59 Cb 1.00 -2.33 -0.08 0.00 0.00 0.00 0.00 19.45 18.05 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 5.94 1.87 -3.18 0.00 5.02 -1.26 -4.93 118.16 121.62 1wf9 n LYS 60 Ca 0.26 -0.03 -0.27 0.00 -2.02 0.00 0.00 58.31 56.25 1wf9 n LYS 60 Cb 0.19 -1.24 -0.02 0.00 -0.02 0.00 0.00 35.03 33.94 1wf9 n LYS 60 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1wf9 s SER 61 N -3.89 6.37 0.18 4.39 1.04 -1.26 -4.98 113.70 115.56 1wf9 s SER 61 Ca -0.04 0.71 0.24 0.00 0.48 0.00 0.00 55.95 57.34 1wf9 s SER 61 Cb 0.04 -2.14 0.91 0.00 0.10 0.00 0.00 66.02 64.92 1wf9 s SER 61 CO 0.40 -0.31 1.74 -0.81 0.98 0.00 0.00 173.24 175.23 1wf9 n PRO 62 N -1.45 0.18 0.01 4.02 -0.04 -1.26 -2.83 135.00 133.63 1wf9 n PRO 62 Ca -0.02 0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.57 1wf9 n PRO 62 Cb 0.55 -1.77 -0.14 0.00 -0.04 0.00 0.00 33.50 32.10 1wf9 n PRO 62 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1wf9 h SER 63 N 0.00 0.23 -0.25 3.54 0.02 -2.00 -3.32 113.55 111.77 1wf9 h SER 63 Ca 0.00 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1wf9 h SER 63 Cb 0.52 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1wf9 h SER 63 CO 0.00 1.37 0.16 -0.78 -1.14 0.00 0.00 176.83 176.44 1wf9 h ASP 64 N 0.04 0.28 -0.19 3.07 1.82 -1.93 -1.04 116.42 118.48 1wf9 h ASP 64 Ca -0.30 -0.01 0.06 0.00 -0.39 0.00 0.00 57.03 56.39 1wf9 h ASP 64 Cb 2.01 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 41.94 1wf9 h ASP 64 CO 0.11 0.21 0.19 -0.26 -1.61 0.00 0.00 179.24 177.87 1wf9 h PHE 65 N 0.34 0.00 0.00 0.28 0.04 -1.69 0.63 116.94 116.53 1wf9 h PHE 65 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1wf9 h PHE 65 Cb -0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.11 1wf9 h PHE 65 CO -0.06 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.93 1wf9 n LEU 66 N -3.96 0.00 0.16 1.54 4.77 -0.40 -1.83 117.00 117.29 1wf9 n LEU 66 Ca 0.02 0.46 0.02 0.00 -0.03 0.00 0.00 56.01 56.48 1wf9 n LEU 66 Cb 0.31 -0.46 0.24 0.00 -2.33 0.00 0.00 43.42 41.18 1wf9 n LEU 66 CO 0.29 -0.22 0.57 0.00 -1.33 0.00 0.00 177.39 176.71 1wf9 h ALA 67 N 2.56 0.97 -2.31 -1.18 0.00 0.29 -3.38 119.26 116.21 1wf9 h ALA 67 Ca 0.00 -0.46 -0.77 0.00 0.00 0.00 0.00 54.91 53.68 1wf9 h ALA 67 Cb 0.24 -0.08 -0.24 0.00 0.00 0.00 0.00 17.79 17.71 1wf9 h ALA 67 CO 0.00 0.64 -0.09 -0.06 0.00 0.00 0.00 179.25 179.74 1wf9 s PHE 68 N -3.58 3.40 -0.48 0.00 0.08 -0.76 -4.90 117.98 111.73 1wf9 s PHE 68 Ca -0.01 -1.50 0.06 0.00 0.12 0.00 0.00 56.93 55.61 1wf9 s PHE 68 Cb 0.12 -3.82 0.39 0.00 -0.57 0.00 0.00 43.02 39.13 1wf9 s PHE 68 CO 0.73 -1.03 1.01 0.25 -0.10 0.00 0.00 175.22 176.08 1wf9 n THR 69 N 4.86 2.41 -0.06 0.64 -2.24 -1.26 -4.69 114.28 113.95 1wf9 n THR 69 Ca -0.04 -5.05 -0.06 0.00 -2.27 0.00 0.00 64.05 56.63 1wf9 n THR 69 Cb 0.42 -1.13 -0.09 0.00 -2.10 0.00 0.00 70.33 67.44 1wf9 n THR 69 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1wf9 n ASP 70 N -0.32 2.29 -0.65 3.42 5.68 -1.26 -4.55 116.55 121.17 1wf9 n ASP 70 Ca 0.33 -0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.68 1wf9 n ASP 70 Cb 0.56 0.72 0.21 0.00 -1.14 0.00 0.00 41.12 41.47 1wf9 n ASP 70 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1wf9 n MET 71 N -2.44 2.07 0.05 0.11 2.81 -1.26 -4.60 117.12 113.86 1wf9 n MET 71 Ca -0.18 -2.86 -0.20 0.00 -1.81 0.00 0.00 57.70 52.64 1wf9 n MET 71 Cb 0.86 -1.71 -0.15 0.00 -0.71 0.00 0.00 33.22 31.51 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 0.99 -0.07 -2.34 3.04 0.00 -1.82 -3.42 119.26 115.64 1wf9 h ALA 72 Ca 0.04 -0.73 -0.53 0.00 0.00 0.00 0.00 54.91 53.68 1wf9 h ALA 72 Cb 1.30 0.13 0.02 0.00 0.00 0.00 0.00 17.79 19.25 1wf9 h ALA 72 CO 0.16 0.42 1.24 -3.47 0.00 0.00 0.00 179.25 177.60 1wf9 n ASP 73 N -4.10 4.14 0.25 0.00 2.03 -1.26 -4.84 116.55 112.76 1wf9 n ASP 73 Ca -0.15 0.89 0.14 0.00 0.52 0.00 0.00 54.79 56.19 1wf9 n ASP 73 Cb 0.83 -1.52 0.43 0.00 -0.72 0.00 0.00 41.12 40.13 1wf9 n ASP 73 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wf9 h PRO 74 N 10.68 0.00 -0.01 -0.67 0.13 -1.93 -2.48 132.00 137.72 1wf9 h PRO 74 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1wf9 h PRO 74 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1wf9 h PRO 74 CO 0.94 0.02 -0.16 0.09 -0.23 0.00 0.00 178.00 178.66 1wf9 n ASN 75 N -3.11 0.92 -4.75 1.44 3.02 -1.26 -2.18 115.26 109.34 1wf9 n ASN 75 Ca 0.02 -0.91 -0.40 0.00 -0.03 0.00 0.00 54.58 53.26 1wf9 n ASN 75 Cb 0.42 0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.58 1wf9 n ASN 75 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1wf9 s LEU 76 N -2.39 4.64 0.27 3.41 2.96 -0.93 -4.87 118.68 121.76 1wf9 s LEU 76 Ca 0.29 1.95 -0.01 0.00 -0.22 0.00 0.00 54.13 56.14 1wf9 s LEU 76 Cb 0.20 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 1wf9 s LEU 76 CO 0.47 0.15 0.47 -0.13 -1.32 0.00 0.00 176.35 175.99 1wf9 s ARG 77 N -1.22 3.53 0.55 1.98 3.00 -1.26 0.30 118.95 125.84 1wf9 s ARG 77 Ca 0.41 -0.28 0.32 0.00 0.00 0.00 0.00 55.73 56.18 1wf9 s ARG 77 Cb -0.26 -2.75 1.60 0.00 0.00 0.00 0.00 34.95 33.55 1wf9 s ARG 77 CO 0.32 0.29 2.10 -0.84 0.00 0.00 0.00 175.30 177.17 1wf9 h ILE 78 N 1.25 0.34 -0.05 1.52 3.07 -1.77 -1.51 117.51 120.35 1wf9 h ILE 78 Ca -0.49 -0.45 0.01 0.00 1.55 0.00 0.00 64.86 65.49 1wf9 h ILE 78 Cb 1.20 1.33 -0.00 0.00 -0.27 0.00 0.00 36.82 39.08 1wf9 h ILE 78 CO 0.65 0.07 0.14 0.77 -1.05 0.00 0.00 178.15 178.73 1wf9 h SER 79 N 0.00 0.00 -0.71 2.16 4.64 -1.88 0.20 113.55 117.97 1wf9 h SER 79 Ca -0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1wf9 h SER 79 Cb 0.32 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 1wf9 h SER 79 CO 0.01 0.00 0.46 -1.28 -0.87 0.00 0.00 176.83 175.15 1wf9 h SER 80 N 0.00 0.62 0.00 4.97 0.87 -1.67 -2.07 113.55 116.27 1wf9 h SER 80 Ca 0.02 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1wf9 h SER 80 Cb 0.30 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1wf9 h SER 80 CO -0.00 0.39 -1.13 0.18 -0.53 0.00 0.00 176.83 175.75 1wf9 n LEU 81 N -4.48 0.34 -2.65 2.23 4.77 0.08 -5.04 117.00 112.25 1wf9 n LEU 81 Ca 0.11 -0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 55.79 1wf9 n LEU 81 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1wf9 n LEU 81 CO 0.34 0.09 0.17 0.59 -1.33 0.00 0.00 177.39 177.24 1wf9 n ASN 82 N -1.64 -6.62 -4.59 -1.43 3.02 0.49 -4.98 115.26 99.50 1wf9 n ASN 82 Ca 0.00 0.16 -0.39 0.00 -0.03 0.00 0.00 54.58 54.33 1wf9 n ASN 82 Cb 0.29 -4.42 -0.10 0.00 -0.61 0.00 0.00 39.78 34.94 1wf9 n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wf9 s LEU 83 N -2.98 4.07 0.39 3.41 2.01 -1.23 -5.02 118.68 119.33 1wf9 s LEU 83 Ca 0.09 0.13 0.08 0.00 0.01 0.00 0.00 54.13 54.43 1wf9 s LEU 83 Cb -0.03 -2.30 -0.07 0.00 0.01 0.00 0.00 46.19 43.81 1wf9 s LEU 83 CO 0.60 -0.15 0.05 0.00 1.01 0.00 0.00 176.35 177.86 1wf9 s ALA 84 N 1.94 3.28 -0.23 4.21 0.00 -1.26 -4.93 121.76 124.77 1wf9 s ALA 84 Ca 0.12 -2.17 -0.34 0.00 0.00 0.00 0.00 51.96 49.56 1wf9 s ALA 84 Cb -0.16 -0.11 -0.11 0.00 0.00 0.00 0.00 23.12 22.74 1wf9 s ALA 84 CO 0.10 -0.08 2.04 1.58 0.00 0.00 0.00 175.76 179.41 1wf9 n HIS 85 N -1.03 1.97 0.00 0.00 -0.00 -1.26 0.58 115.22 115.48 1wf9 n HIS 85 Ca -0.04 0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.28 1wf9 n HIS 85 Cb 0.65 -2.60 0.00 0.00 -0.12 0.00 0.00 29.99 27.92 1wf9 n HIS 85 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1wf9 n GLY 86 N 5.43 1.68 3.23 1.57 0.00 -1.25 -5.07 105.19 110.78 1wf9 n GLY 86 Ca 0.31 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 1wf9 n GLY 86 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wf9 n SER 87 N 0.00 -2.90 -4.28 1.61 3.41 0.20 -4.92 113.62 106.74 1wf9 n SER 87 Ca 0.00 -0.40 -0.26 0.00 -0.26 0.00 0.00 58.87 57.95 1wf9 n SER 87 Cb 0.00 -0.98 -0.13 0.00 -0.26 0.00 0.00 64.21 62.84 1wf9 n SER 87 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1wf9 s MET 88 N -4.05 1.32 0.01 4.33 -2.45 -1.26 -3.76 119.30 113.44 1wf9 s MET 88 Ca 0.57 -1.07 -0.20 0.00 -1.25 0.00 0.00 55.69 53.74 1wf9 s MET 88 Cb -0.13 -1.53 0.04 0.00 1.25 0.00 0.00 34.83 34.46 1wf9 s MET 88 CO 0.55 0.37 0.45 0.08 1.05 0.00 0.00 175.02 177.52 1wf9 s VAL 89 N -0.96 0.04 0.23 10.11 1.01 0.20 -4.89 120.40 126.15 1wf9 s VAL 89 Ca 0.08 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 61.81 1wf9 s VAL 89 Cb -0.09 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1wf9 s VAL 89 CO 0.03 -0.20 -0.13 -0.31 0.00 0.00 0.00 175.10 174.50 1wf9 s TYR 90 N -1.96 2.50 -0.04 5.22 2.02 -1.13 0.25 117.35 124.20 1wf9 s TYR 90 Ca -0.08 -0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 1wf9 s TYR 90 Cb -0.02 -1.15 0.02 0.00 -0.40 0.00 0.00 41.96 40.41 1wf9 s TYR 90 CO 0.02 0.60 -0.02 -1.17 -1.57 0.00 0.00 175.55 173.40 1wf9 s LEU 91 N -3.22 1.17 -0.11 -1.29 2.96 0.42 -3.71 118.68 114.90 1wf9 s LEU 91 Ca 0.27 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 1wf9 s LEU 91 Cb -0.07 -0.35 0.02 0.00 0.50 0.00 0.00 46.19 46.29 1wf9 s LEU 91 CO 0.15 -0.09 -0.12 0.00 -1.32 0.00 0.00 176.35 174.97 1wf9 s ALA 92 N 1.08 1.54 0.08 5.97 0.00 -0.72 -4.34 121.76 125.37 1wf9 s ALA 92 Ca -0.09 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1wf9 s ALA 92 Cb -0.14 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1wf9 s ALA 92 CO -0.01 -0.18 -0.06 1.52 0.00 0.00 0.00 175.76 177.03 1wf9 s TYR 93 N 1.20 0.74 0.09 0.00 1.13 -1.25 0.15 117.35 119.41 1wf9 s TYR 93 Ca -0.03 -0.90 0.03 0.00 -1.41 0.00 0.00 57.07 54.76 1wf9 s TYR 93 Cb -0.14 -0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 40.22 1wf9 s TYR 93 CO -0.04 -0.21 0.09 -1.83 -2.51 0.00 0.00 175.55 171.05 1wf9 s GLU 94 N -3.54 2.90 7.87 -3.49 -1.05 -1.26 -4.94 118.70 115.20 1wf9 s GLU 94 Ca 0.07 -0.70 0.00 0.00 -0.15 0.00 0.00 54.97 54.19 1wf9 s GLU 94 Cb 0.04 -2.73 0.00 0.00 -0.44 0.00 0.00 34.13 31.00 1wf9 s GLU 94 CO -0.06 0.56 0.00 0.41 0.95 0.00 0.00 175.26 177.12 1wf9 n GLY 95 N 0.36 2.58 0.68 -3.83 0.00 -1.26 -4.88 105.19 98.84 1wf9 n GLY 95 Ca -0.08 -0.35 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 1wf9 n GLY 95 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wf9 n GLU 96 N 12.44 0.12 -2.27 1.61 0.28 -1.26 -5.17 120.64 126.38 1wf9 n GLU 96 Ca 0.00 -0.64 -0.26 0.00 -0.16 0.00 0.00 57.16 56.11 1wf9 n GLU 96 Cb 0.00 0.57 0.10 0.00 1.43 0.00 0.00 31.44 33.53 1wf9 n GLU 96 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1wf9 s ARG 97 N -2.22 1.83 0.00 3.44 0.52 -1.26 -4.84 118.95 116.41 1wf9 s ARG 97 Ca 0.07 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 1wf9 s ARG 97 Cb 0.00 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 33.30 1wf9 s ARG 97 CO 0.05 -1.46 0.00 0.25 0.02 0.00 0.00 175.30 174.17 1wf9 n THR 98 N -3.01 0.00 -3.48 0.02 -2.24 0.64 -5.03 114.28 101.19 1wf9 n THR 98 Ca 0.11 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.56 1wf9 n THR 98 Cb 0.60 -0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 67.85 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 0.98 4.99 0.33 2.28 1.01 -1.26 -4.95 121.20 124.57 1wf9 s ILE 99 Ca 0.00 0.46 -0.29 0.00 0.00 0.00 0.00 60.65 60.82 1wf9 s ILE 99 Cb 0.00 -3.65 -0.11 0.00 0.01 0.00 0.00 42.46 38.71 1wf9 s ILE 99 CO 0.00 0.08 1.51 -0.13 0.00 0.00 0.00 174.94 176.40 1wf9 s ARG 100 N -2.45 4.15 0.00 2.79 0.52 -1.26 -5.01 118.95 117.68 1wf9 s ARG 100 Ca 0.42 2.52 0.00 0.00 -0.52 0.00 0.00 55.73 58.15 1wf9 s ARG 100 Cb -0.13 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.33 1wf9 s ARG 100 CO 0.21 -0.54 0.00 0.41 0.02 0.00 0.00 175.30 175.40 1wf9 n GLY 101 N 1.32 1.08 3.60 -3.53 0.00 -1.26 -5.15 105.19 101.26 1wf9 n GLY 101 Ca 0.04 -1.83 -0.03 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.00 -0.13 0.00 1.61 0.15 -1.26 -5.16 113.70 107.92 1wf9 s SER 102 Ca 0.00 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1wf9 s SER 102 Cb 0.00 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1wf9 s SER 102 CO 0.00 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1wf9 n GLY 103 N -0.22 1.32 3.80 9.45 0.00 -1.26 -5.16 105.19 113.12 1wf9 n GLY 103 Ca -0.03 0.36 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 1wf9 n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf9 s PRO 104 N -0.12 3.81 0.46 1.61 0.04 -1.26 -4.85 135.00 134.69 1wf9 s PRO 104 Ca 0.00 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1wf9 s PRO 104 Cb 0.00 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1wf9 s PRO 104 CO 0.00 -0.43 0.00 0.43 0.04 0.00 0.00 177.00 177.04 1wf9 n SER 105 N -0.95 -7.13 -4.44 6.66 7.64 -1.26 -4.56 113.62 109.58 1wf9 n SER 105 Ca 0.09 1.03 -0.44 0.00 1.01 0.00 0.00 58.87 60.57 1wf9 n SER 105 Cb 0.52 -4.09 -0.03 0.00 -1.01 0.00 0.00 64.21 59.60 1wf9 n SER 105 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wf9 s SER 106 N -6.87 6.38 0.00 6.43 0.15 -1.26 -5.18 113.70 113.35 1wf9 s SER 106 Ca 0.00 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.12 1wf9 s SER 106 Cb 0.00 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1wf9 s SER 106 CO 0.00 -1.23 0.00 0.61 1.20 0.00 0.00 173.24 173.82