#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 6.40 -0.53 1.61 0.15 -1.26 -5.05 113.70 115.02 1wf9 s SER 2 Ca 0.00 0.38 -0.26 0.00 0.70 0.00 0.00 55.95 56.77 1wf9 s SER 2 Cb 0.00 -2.00 0.03 0.00 -1.71 0.00 0.00 66.02 62.34 1wf9 s SER 2 CO 0.00 0.04 1.04 -0.44 1.20 0.00 0.00 173.24 175.07 1wf9 s SER 3 N -2.88 6.44 0.00 5.45 0.01 -1.26 -4.77 113.70 116.69 1wf9 s SER 3 Ca 0.38 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.62 1wf9 s SER 3 Cb -0.12 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1wf9 s SER 3 CO 0.28 -1.27 0.00 0.61 0.41 0.00 0.00 173.24 173.27 1wf9 n GLY 4 N 5.03 3.23 3.56 3.44 0.00 -1.26 -5.12 105.19 114.07 1wf9 n GLY 4 Ca 0.06 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 5.79 -0.08 1.61 0.15 -1.26 -5.07 113.70 114.84 1wf9 s SER 5 Ca 0.00 -0.05 -0.15 0.00 0.70 0.00 0.00 55.95 56.45 1wf9 s SER 5 Cb 0.00 -2.07 -0.05 0.00 -1.71 0.00 0.00 66.02 62.20 1wf9 s SER 5 CO 0.00 -0.03 0.39 -0.94 1.20 0.00 0.00 173.24 173.86 1wf9 s SER 6 N 1.64 6.67 -0.76 5.45 1.04 -1.26 -4.98 113.70 121.50 1wf9 s SER 6 Ca 0.07 0.79 -0.26 0.00 0.48 0.00 0.00 55.95 57.03 1wf9 s SER 6 Cb -0.16 -2.24 -0.11 0.00 0.10 0.00 0.00 66.02 63.62 1wf9 s SER 6 CO 0.08 0.18 2.30 -0.83 0.98 0.00 0.00 173.24 175.95 1wf9 s GLY 7 N -0.20 -0.54 -0.46 7.32 0.00 -1.26 -4.75 107.32 107.43 1wf9 s GLY 7 Ca 0.22 -0.80 -0.27 0.00 0.00 0.00 0.00 44.72 43.87 1wf9 s GLY 7 CO 0.10 4.05 1.04 -1.59 0.00 0.00 0.00 173.10 176.70 1wf9 s THR 8 N 13.34 4.35 0.41 0.90 2.01 -1.16 -4.84 115.64 130.66 1wf9 s THR 8 Ca 0.88 1.06 -0.22 0.00 0.31 0.00 0.00 61.69 63.72 1wf9 s THR 8 Cb -0.12 -4.51 -0.11 0.00 0.01 0.00 0.00 72.50 67.77 1wf9 s THR 8 CO 0.09 -0.88 0.95 -0.32 -0.69 0.00 0.00 174.62 173.77 1wf9 s MET 9 N 4.08 4.28 0.21 4.92 1.75 -1.26 -1.14 119.30 132.14 1wf9 s MET 9 Ca 0.43 1.17 0.02 0.00 -1.25 0.00 0.00 55.69 56.06 1wf9 s MET 9 Cb -0.09 -2.30 -0.05 0.00 2.84 0.00 0.00 34.83 35.24 1wf9 s MET 9 CO 0.28 0.02 0.03 -0.51 -0.65 0.00 0.00 175.02 174.18 1wf9 s LEU 10 N -2.97 1.98 -0.32 4.11 1.43 -0.55 -3.76 118.68 118.59 1wf9 s LEU 10 Ca 0.60 -1.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.39 1wf9 s LEU 10 Cb -0.11 -0.07 0.03 0.00 0.03 0.00 0.00 46.19 46.07 1wf9 s LEU 10 CO 0.15 -0.61 0.10 -0.13 0.23 0.00 0.00 176.35 176.10 1wf9 s ARG 11 N -3.94 2.81 -0.43 1.70 0.52 -1.23 -2.90 118.95 115.47 1wf9 s ARG 11 Ca 0.29 -1.05 -0.06 0.00 -0.52 0.00 0.00 55.73 54.39 1wf9 s ARG 11 Cb 0.07 -3.44 0.11 0.00 0.52 0.00 0.00 34.95 32.20 1wf9 s ARG 11 CO 0.08 -0.58 0.27 0.08 0.02 0.00 0.00 175.30 175.16 1wf9 s VAL 12 N 1.45 3.79 -0.16 3.52 1.01 0.49 -0.27 120.40 130.24 1wf9 s VAL 12 Ca 0.00 -1.84 -0.29 0.00 0.00 0.00 0.00 61.98 59.85 1wf9 s VAL 12 Cb -0.19 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 1wf9 s VAL 12 CO 0.03 -0.69 1.02 -0.60 0.00 0.00 0.00 175.10 174.86 1wf9 s ARG 13 N 1.28 4.36 0.20 2.72 6.06 0.21 -1.23 118.95 132.54 1wf9 s ARG 13 Ca 0.06 1.38 0.11 0.00 -2.50 0.00 0.00 55.73 54.78 1wf9 s ARG 13 Cb -0.24 -3.58 -0.04 0.00 0.06 0.00 0.00 34.95 31.14 1wf9 s ARG 13 CO -0.02 -0.44 -0.22 -1.54 -2.50 0.00 0.00 175.30 170.58 1wf9 s SER 14 N 1.14 3.26 0.63 -2.12 1.04 -0.54 0.21 113.70 117.32 1wf9 s SER 14 Ca 0.47 -0.89 0.32 0.00 0.48 0.00 0.00 55.95 56.32 1wf9 s SER 14 Cb -0.17 -0.24 1.74 0.00 0.10 0.00 0.00 66.02 67.45 1wf9 s SER 14 CO 0.13 0.07 2.04 0.08 0.98 0.00 0.00 173.24 176.54 1wf9 h ARG 15 N 3.06 0.00 0.23 4.02 0.11 -1.91 0.28 114.38 120.17 1wf9 h ARG 15 Ca -0.44 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.31 1wf9 h ARG 15 Cb 1.22 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.33 1wf9 h ARG 15 CO 0.51 0.00 -1.44 -0.44 0.10 0.00 0.00 179.97 178.70 1wf9 h ASP 16 N 0.00 0.80 0.00 0.08 5.19 -1.94 -3.49 116.42 117.06 1wf9 h ASP 16 Ca 0.06 -0.85 0.00 0.00 -0.62 0.00 0.00 57.03 55.62 1wf9 h ASP 16 Cb 0.59 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1wf9 h ASP 16 CO -0.00 1.66 0.00 0.61 -3.12 0.00 0.00 179.24 178.39 1wf9 n GLY 17 N 1.67 1.59 3.57 2.75 0.00 0.98 -5.08 105.19 110.66 1wf9 n GLY 17 Ca -0.16 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 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 3.35 0.26 0.99 2.96 -1.26 -1.46 118.68 123.51 1wf9 s LEU 18 Ca 0.00 0.20 0.07 0.00 -0.22 0.00 0.00 54.13 54.17 1wf9 s LEU 18 Cb 0.00 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 1wf9 s LEU 18 CO 0.00 -1.83 0.22 -1.61 -1.32 0.00 0.00 176.35 171.82 1wf9 s GLU 19 N 5.77 2.97 0.16 1.98 2.02 -0.36 -4.96 118.70 126.27 1wf9 s GLU 19 Ca 0.52 -1.04 0.10 0.00 0.02 0.00 0.00 54.97 54.57 1wf9 s GLU 19 Cb -0.11 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.49 1wf9 s GLU 19 CO 0.23 0.38 -0.23 -0.98 0.02 0.00 0.00 175.26 174.68 1wf9 s ARG 20 N -3.87 1.38 -0.07 1.61 1.70 -1.26 -0.38 118.95 118.05 1wf9 s ARG 20 Ca 0.34 -1.40 -0.15 0.00 -0.47 0.00 0.00 55.73 54.05 1wf9 s ARG 20 Cb -0.08 -1.68 0.03 0.00 -0.57 0.00 0.00 34.95 32.66 1wf9 s ARG 20 CO 0.26 0.37 0.36 0.08 -1.08 0.00 0.00 175.30 175.28 1wf9 s VAL 21 N -1.52 0.03 0.13 4.99 1.01 -1.14 -4.94 120.40 118.95 1wf9 s VAL 21 Ca 0.16 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 1wf9 s VAL 21 Cb -0.08 -0.60 -0.06 0.00 0.00 0.00 0.00 36.38 35.63 1wf9 s VAL 21 CO 0.07 -0.14 0.49 -0.55 0.00 0.00 0.00 175.10 174.97 1wf9 s SER 22 N -0.72 6.74 0.00 3.32 0.15 -1.26 -1.48 113.70 120.45 1wf9 s SER 22 Ca -0.08 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.53 1wf9 s SER 22 Cb -0.04 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 1wf9 s SER 22 CO 0.03 0.12 0.00 1.33 1.20 0.00 0.00 173.24 175.92 1wf9 n VAL 23 N 0.78 0.00 -0.05 4.45 0.24 -0.29 -4.92 118.33 118.54 1wf9 n VAL 23 Ca -0.06 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.18 1wf9 n VAL 23 Cb 0.52 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.87 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 -1.22 1.38 0.00 -1.34 9.92 -1.26 -2.97 116.55 121.07 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 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 39.86 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 1.79 -0.56 0.19 0.44 0.00 -1.26 -4.35 105.19 101.44 1wf9 n GLY 25 Ca -0.09 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.97 -2.95 132.00 128.82 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 0.33 0.14 1.12 -0.23 0.00 0.00 178.00 179.36 1wf9 h HIS 27 N 0.00 0.00 -2.64 1.56 2.07 -2.01 -3.40 115.15 110.72 1wf9 h HIS 27 Ca -0.00 0.00 -0.45 0.00 -2.85 0.00 0.00 60.37 57.07 1wf9 h HIS 27 Cb 1.01 0.00 0.04 0.00 2.57 0.00 0.00 27.41 31.02 1wf9 h HIS 27 CO 0.00 0.00 -0.07 0.96 -3.07 0.00 0.00 177.93 175.75 1wf9 s ILE 28 N -3.82 3.48 0.35 6.12 -5.25 -1.12 -5.09 121.20 115.87 1wf9 s ILE 28 Ca -0.03 -0.56 0.09 0.00 -0.99 0.00 0.00 60.65 59.15 1wf9 s ILE 28 Cb 0.08 -3.29 -0.07 0.00 2.95 0.00 0.00 42.46 42.14 1wf9 s ILE 28 CO 0.26 -0.20 -0.07 0.42 -1.79 0.00 0.00 174.94 173.55 1wf9 s THR 29 N -2.63 2.14 0.41 8.37 -4.23 -1.26 -3.92 115.64 114.52 1wf9 s THR 29 Ca 0.52 -2.17 0.24 0.00 -1.18 0.00 0.00 61.69 59.10 1wf9 s THR 29 Cb -0.10 -2.68 0.43 0.00 1.34 0.00 0.00 72.50 71.49 1wf9 s THR 29 CO 0.38 -0.18 1.69 0.58 -0.54 0.00 0.00 174.62 176.55 1wf9 h VAL 30 N 2.01 0.30 0.31 2.29 2.07 -0.23 0.39 116.25 123.38 1wf9 h VAL 30 Ca -0.42 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1wf9 h VAL 30 Cb 1.25 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1wf9 h VAL 30 CO 0.72 0.04 -0.37 0.77 0.02 0.00 0.00 177.57 178.75 1wf9 h SER 31 N 0.23 -1.02 0.01 0.57 4.64 -1.68 0.66 113.55 116.96 1wf9 h SER 31 Ca 0.72 0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 62.09 1wf9 h SER 31 Cb 2.06 0.35 -0.01 0.00 -0.31 0.00 0.00 62.40 64.49 1wf9 h SER 31 CO -0.38 -0.50 -0.12 1.56 -0.87 0.00 0.00 176.83 176.52 1wf9 h GLN 32 N -0.72 0.23 0.09 4.77 4.20 -0.65 -1.96 115.11 121.07 1wf9 h GLN 32 Ca -0.01 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1wf9 h GLN 32 Cb 0.67 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1wf9 h GLN 32 CO -0.10 0.36 -0.04 1.25 -0.67 0.00 0.00 178.83 179.62 1wf9 h LEU 33 N 0.22 -0.10 0.07 1.46 5.85 0.17 -2.48 115.31 120.50 1wf9 h LEU 33 Ca 0.05 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1wf9 h LEU 33 Cb 0.35 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1wf9 h LEU 33 CO 0.02 0.15 -0.07 0.11 -0.34 0.00 0.00 178.44 178.31 1wf9 h LYS 34 N -0.36 -0.14 -0.69 1.25 1.57 0.63 -1.98 116.57 116.86 1wf9 h LYS 34 Ca -0.01 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 58.97 1wf9 h LYS 34 Cb 0.30 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 32.52 1wf9 h LYS 34 CO 0.02 -0.09 0.04 2.41 -0.57 0.00 0.00 179.45 181.26 1wf9 n THR 35 N -2.69 -0.29 0.00 -0.16 -1.04 -0.77 0.27 114.28 109.60 1wf9 n THR 35 Ca -0.02 1.51 0.00 0.00 -2.04 0.00 0.00 64.05 63.50 1wf9 n THR 35 Cb 0.06 -2.21 0.00 0.00 -1.82 0.00 0.00 70.33 66.36 1wf9 n THR 35 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1wf9 n LEU 36 N -4.90 0.00 -0.33 -4.42 4.77 -0.90 -0.17 117.00 111.05 1wf9 n LEU 36 Ca 0.17 0.97 0.03 0.00 -0.03 0.00 0.00 56.01 57.15 1wf9 n LEU 36 Cb 0.55 -0.47 0.18 0.00 -2.33 0.00 0.00 43.42 41.35 1wf9 n LEU 36 CO -0.05 -0.47 1.20 0.40 -1.33 0.00 0.00 177.39 177.14 1wf9 h ILE 37 N 0.00 0.97 -0.83 -0.08 5.03 0.30 0.86 117.51 123.76 1wf9 h ILE 37 Ca 0.00 -0.33 0.20 0.00 -0.12 0.00 0.00 64.86 64.61 1wf9 h ILE 37 Cb 0.00 -0.06 -0.05 0.00 -3.03 0.00 0.00 36.82 33.68 1wf9 h ILE 37 CO 0.00 0.17 0.56 -0.61 -0.68 0.00 0.00 178.15 177.60 1wf9 h GLN 38 N 0.95 0.30 0.00 2.37 -0.00 0.40 1.39 115.11 120.52 1wf9 h GLN 38 Ca 0.42 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 59.02 1wf9 h GLN 38 Cb 0.32 -0.07 -0.00 0.00 0.00 0.00 0.00 27.48 27.73 1wf9 h GLN 38 CO -0.22 0.20 -0.65 -3.47 0.00 0.00 0.00 178.83 174.69 1wf9 n ASP 39 N -4.45 1.82 -0.03 -0.69 -0.08 0.76 0.17 116.55 114.06 1wf9 n ASP 39 Ca 0.17 0.59 -0.10 0.00 -1.51 0.00 0.00 54.79 53.94 1wf9 n ASP 39 Cb 0.69 -0.87 -0.04 0.00 2.34 0.00 0.00 41.12 43.24 1wf9 n ASP 39 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1wf9 h GLN 40 N -1.00 -0.37 0.00 -0.67 4.20 0.82 0.12 115.11 118.21 1wf9 h GLN 40 Ca -0.05 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1wf9 h GLN 40 Cb 0.64 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1wf9 h GLN 40 CO -0.03 -0.25 0.00 -0.07 -0.67 0.00 0.00 178.83 177.81 1wf9 h LEU 41 N -0.39 0.00 -2.02 1.46 3.38 0.17 -3.48 115.31 114.44 1wf9 h LEU 41 Ca 0.11 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.85 1wf9 h LEU 41 Cb 0.57 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.45 1wf9 h LEU 41 CO -0.41 0.00 -0.61 0.00 0.09 0.00 0.00 178.44 177.51 1wf9 n GLN 42 N -2.46 -3.92 -4.57 1.13 1.13 0.41 -4.64 117.38 104.46 1wf9 n GLN 42 Ca 0.05 0.65 -0.22 0.00 -1.94 0.00 0.00 57.00 55.54 1wf9 n GLN 42 Cb 0.44 -4.97 -0.15 0.00 0.11 0.00 0.00 30.24 25.67 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 -3.28 1.16 0.07 5.09 1.01 0.45 -0.56 121.20 125.14 1wf9 s ILE 43 Ca 0.12 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.70 1wf9 s ILE 43 Cb -0.02 -1.00 -0.06 0.00 0.01 0.00 0.00 42.46 41.40 1wf9 s ILE 43 CO 0.56 0.22 1.16 -2.16 0.00 0.00 0.00 174.94 174.72 1wf9 s PRO 44 N -0.62 4.46 0.13 2.79 0.04 -1.26 -3.94 135.00 136.60 1wf9 s PRO 44 Ca 0.05 1.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.50 1wf9 s PRO 44 Cb -0.06 -3.35 -0.08 0.00 0.04 0.00 0.00 34.50 31.04 1wf9 s PRO 44 CO 0.00 -0.20 1.56 0.82 0.04 0.00 0.00 177.00 179.23 1wf9 h ILE 45 N 4.46 0.06 -1.91 0.56 2.04 -1.92 1.11 117.51 121.91 1wf9 h ILE 45 Ca -0.42 0.00 0.55 0.00 1.00 0.00 0.00 64.86 66.00 1wf9 h ILE 45 Cb 1.21 0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 37.28 1wf9 h ILE 45 CO 0.79 0.00 1.37 0.00 0.00 0.00 0.00 178.15 180.32 1wf9 n HIS 46 N -5.43 0.01 -0.07 1.37 1.44 -1.26 0.18 115.22 111.47 1wf9 n HIS 46 Ca -0.04 0.01 -0.22 0.00 -2.01 0.00 0.00 57.72 55.46 1wf9 n HIS 46 Cb 0.37 -0.49 -0.12 0.00 0.12 0.00 0.00 29.99 29.86 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 -3.86 1.99 -4.67 4.39 4.13 0.22 -4.92 115.26 112.54 1wf9 n ASN 47 Ca 0.43 0.27 -0.44 0.00 1.68 0.00 0.00 54.58 56.52 1wf9 n ASN 47 Cb 1.95 -0.86 -0.02 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 -3.92 1.94 -3.76 3.52 6.02 0.47 -3.87 117.38 117.78 1wf9 n GLN 48 Ca -0.36 0.68 -0.26 0.00 -0.01 0.00 0.00 57.00 57.06 1wf9 n GLN 48 Cb 0.88 -2.26 -0.17 0.00 1.02 0.00 0.00 30.24 29.71 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 -0.64 0.50 -0.04 5.09 2.01 -0.48 -4.85 115.64 117.23 1wf9 s THR 49 Ca 0.62 -0.25 -0.17 0.00 0.31 0.00 0.00 61.69 62.19 1wf9 s THR 49 Cb -0.63 -0.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 1wf9 s THR 49 CO 0.57 0.03 0.47 -0.76 -0.69 0.00 0.00 174.62 174.23 1wf9 s LEU 50 N 1.90 4.39 -0.03 4.42 2.01 -1.26 -2.07 118.68 128.04 1wf9 s LEU 50 Ca 0.02 0.95 -0.29 0.00 0.01 0.00 0.00 54.13 54.82 1wf9 s LEU 50 Cb -0.15 -2.69 0.09 0.00 0.01 0.00 0.00 46.19 43.45 1wf9 s LEU 50 CO -0.07 0.17 0.77 -0.55 1.01 0.00 0.00 176.35 177.67 1wf9 s SER 51 N -0.30 -0.53 -0.49 2.29 0.15 -1.23 -3.74 113.70 109.85 1wf9 s SER 51 Ca 0.26 0.40 0.03 0.00 0.70 0.00 0.00 55.95 57.34 1wf9 s SER 51 Cb -0.16 0.48 0.57 0.00 -1.71 0.00 0.00 66.02 65.19 1wf9 s SER 51 CO 0.13 -0.62 1.85 0.35 1.20 0.00 0.00 173.24 176.15 1wf9 n THR 52 N 0.45 3.21 -3.94 6.45 -2.24 -1.26 -2.56 114.28 114.39 1wf9 n THR 52 Ca -0.15 -2.48 -0.10 0.00 -2.27 0.00 0.00 64.05 59.05 1wf9 n THR 52 Cb 0.59 -0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.77 0.15 0.38 3.42 3.84 -1.26 -5.02 114.94 114.69 1wf9 s ASN 53 Ca 0.57 -0.33 0.24 0.00 0.21 0.00 0.00 52.86 53.56 1wf9 s ASN 53 Cb 0.48 0.08 0.52 0.00 -0.55 0.00 0.00 41.25 41.77 1wf9 s ASN 53 CO 0.05 -0.21 1.67 0.08 -2.79 0.00 0.00 177.10 175.91 1wf9 h ARG 54 N 5.11 0.00 0.00 0.43 -0.00 -2.00 -3.02 114.38 114.90 1wf9 h ARG 54 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.69 1wf9 h ARG 54 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.18 1wf9 h ARG 54 CO 0.44 0.00 0.00 -0.91 -0.00 0.00 0.00 179.97 179.50 1wf9 h ASN 55 N 0.00 0.00 -0.45 0.08 2.35 -2.00 -2.24 115.58 113.32 1wf9 h ASN 55 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1wf9 h ASN 55 Cb 0.90 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 1wf9 h ASN 55 CO 0.00 0.00 0.13 0.25 -1.65 0.00 0.00 177.43 176.16 1wf9 h LEU 56 N 0.00 0.66 -2.29 1.61 7.12 -1.93 -1.15 115.31 119.33 1wf9 h LEU 56 Ca 0.00 -0.22 0.01 0.00 0.13 0.00 0.00 57.88 57.80 1wf9 h LEU 56 Cb 0.25 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.21 1wf9 h LEU 56 CO 0.00 0.70 0.23 -0.07 -0.13 0.00 0.00 178.44 179.18 1wf9 h LEU 57 N 0.59 0.00 -0.02 2.25 3.38 -1.62 0.16 115.31 120.05 1wf9 h LEU 57 Ca 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1wf9 h LEU 57 Cb 0.29 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1wf9 h LEU 57 CO -0.00 0.00 -0.35 -0.07 0.09 0.00 0.00 178.44 178.11 1wf9 h LEU 58 N 0.00 0.34 -8.51 1.67 3.38 -1.33 -3.44 115.31 107.44 1wf9 h LEU 58 Ca 0.01 -0.73 -0.69 0.00 0.09 0.00 0.00 57.88 56.57 1wf9 h LEU 58 Cb 0.48 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1wf9 h LEU 58 CO -0.00 1.03 1.37 0.00 0.09 0.00 0.00 178.44 180.92 1wf9 n ALA 59 N -2.54 0.87 -0.03 1.53 0.00 0.57 -4.74 120.51 116.18 1wf9 n ALA 59 Ca -0.09 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1wf9 n ALA 59 Cb 0.54 -2.46 -0.08 0.00 0.00 0.00 0.00 19.45 17.45 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 7.90 1.32 -3.36 0.00 4.76 -1.26 -4.86 118.16 122.66 1wf9 n LYS 60 Ca 0.42 -0.05 -0.28 0.00 -2.87 0.00 0.00 58.31 55.53 1wf9 n LYS 60 Cb 0.18 -1.26 -0.03 0.00 -1.84 0.00 0.00 35.03 32.08 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 -3.77 6.43 0.00 4.39 1.04 -1.26 -4.97 113.70 115.56 1wf9 s SER 61 Ca -0.05 0.68 0.23 0.00 0.48 0.00 0.00 55.95 57.30 1wf9 s SER 61 Cb 0.05 -2.13 1.28 0.00 0.10 0.00 0.00 66.02 65.32 1wf9 s SER 61 CO 0.44 -0.19 1.77 -0.81 0.98 0.00 0.00 173.24 175.43 1wf9 n PRO 62 N -0.98 0.51 0.00 4.02 -0.04 -1.26 -2.29 135.00 134.97 1wf9 n PRO 62 Ca -0.02 0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.52 1wf9 n PRO 62 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 1wf9 n PRO 62 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wf9 n SER 63 N -1.16 0.40 0.07 3.54 7.64 -1.26 -4.17 113.62 118.68 1wf9 n SER 63 Ca 0.14 0.17 -0.22 0.00 1.01 0.00 0.00 58.87 59.97 1wf9 n SER 63 Cb 0.14 1.01 -0.15 0.00 -1.01 0.00 0.00 64.21 64.20 1wf9 n SER 63 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1wf9 h ASP 64 N 0.00 0.56 0.00 6.43 1.82 -1.86 -3.24 116.42 120.13 1wf9 h ASP 64 Ca -0.15 -0.92 0.00 0.00 -0.39 0.00 0.00 57.03 55.57 1wf9 h ASP 64 Cb 1.40 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.23 1wf9 h ASP 64 CO 0.02 1.55 0.24 -0.26 -1.61 0.00 0.00 179.24 179.18 1wf9 h PHE 65 N -0.19 0.00 0.00 0.28 0.04 -1.69 1.23 116.94 116.61 1wf9 h PHE 65 Ca -0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.55 1wf9 h PHE 65 Cb 1.84 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.99 1wf9 h PHE 65 CO 0.16 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 179.15 1wf9 n LEU 66 N -2.70 0.74 0.15 1.54 4.77 -1.22 -2.74 117.00 117.55 1wf9 n LEU 66 Ca -0.02 0.58 0.01 0.00 -0.03 0.00 0.00 56.01 56.56 1wf9 n LEU 66 Cb 0.28 -0.37 0.17 0.00 -2.33 0.00 0.00 43.42 41.17 1wf9 n LEU 66 CO 0.13 -0.23 0.51 0.00 -1.33 0.00 0.00 177.39 176.47 1wf9 h ALA 67 N 2.51 0.83 -2.41 -1.18 0.00 0.14 -3.39 119.26 115.76 1wf9 h ALA 67 Ca 0.00 -0.50 -0.74 0.00 0.00 0.00 0.00 54.91 53.67 1wf9 h ALA 67 Cb 0.67 -0.09 -0.26 0.00 0.00 0.00 0.00 17.79 18.10 1wf9 h ALA 67 CO 0.00 0.69 -0.33 -0.06 0.00 0.00 0.00 179.25 179.55 1wf9 s PHE 68 N -3.35 3.33 -0.54 0.00 0.40 -1.11 -4.94 117.98 111.77 1wf9 s PHE 68 Ca 0.01 -1.52 0.06 0.00 -0.60 0.00 0.00 56.93 54.88 1wf9 s PHE 68 Cb 0.11 -3.52 0.34 0.00 0.51 0.00 0.00 43.02 40.46 1wf9 s PHE 68 CO 0.74 -0.97 0.91 0.25 0.70 0.00 0.00 175.22 176.85 1wf9 n THR 69 N 5.07 2.47 -0.05 0.64 -2.24 -1.26 -4.72 114.28 114.19 1wf9 n THR 69 Ca -0.11 -5.40 -0.04 0.00 -2.27 0.00 0.00 64.05 56.23 1wf9 n THR 69 Cb 0.41 -1.20 -0.09 0.00 -2.10 0.00 0.00 70.33 67.35 1wf9 n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wf9 n ASP 70 N -0.14 2.13 -1.53 3.42 9.92 -1.26 -4.62 116.55 124.47 1wf9 n ASP 70 Ca 0.30 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.55 1wf9 n ASP 70 Cb 0.44 0.90 0.09 0.00 -0.64 0.00 0.00 41.12 41.91 1wf9 n ASP 70 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1wf9 n MET 71 N -2.36 1.49 -0.01 -1.24 2.81 -1.24 -4.78 117.12 111.79 1wf9 n MET 71 Ca -0.17 -3.09 -0.21 0.00 -1.81 0.00 0.00 57.70 52.42 1wf9 n MET 71 Cb 0.80 -1.23 -0.14 0.00 -0.71 0.00 0.00 33.22 31.94 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 1.50 0.14 -2.14 3.04 0.00 -1.82 -3.40 119.26 116.57 1wf9 h ALA 72 Ca -0.03 -1.00 -0.59 0.00 0.00 0.00 0.00 54.91 53.30 1wf9 h ALA 72 Cb 1.43 0.42 0.02 0.00 0.00 0.00 0.00 17.79 19.65 1wf9 h ALA 72 CO 0.20 0.68 1.15 -3.47 0.00 0.00 0.00 179.25 177.81 1wf9 n ASP 73 N -4.06 3.71 0.23 0.00 2.03 -1.26 -4.83 116.55 112.36 1wf9 n ASP 73 Ca -0.23 0.95 0.14 0.00 0.52 0.00 0.00 54.79 56.17 1wf9 n ASP 73 Cb 0.83 -1.43 0.44 0.00 -0.72 0.00 0.00 41.12 40.24 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 9.68 0.00 -0.00 -0.67 0.13 -1.93 -2.49 132.00 136.72 1wf9 h PRO 74 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1wf9 h PRO 74 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wf9 h PRO 74 CO 0.95 0.00 -0.33 0.09 -0.23 0.00 0.00 178.00 178.47 1wf9 n ASN 75 N -2.96 0.76 -4.76 1.44 3.02 -1.26 -2.16 115.26 109.34 1wf9 n ASN 75 Ca 0.03 -0.59 -0.40 0.00 -0.03 0.00 0.00 54.58 53.59 1wf9 n ASN 75 Cb 0.40 0.15 -0.05 0.00 -0.61 0.00 0.00 39.78 39.67 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 -2.70 4.51 0.12 3.41 2.96 -0.94 -4.85 118.68 121.20 1wf9 s LEU 76 Ca 0.19 2.13 0.00 0.00 -0.22 0.00 0.00 54.13 56.23 1wf9 s LEU 76 Cb 0.19 -3.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 1wf9 s LEU 76 CO 0.58 -0.10 0.28 -0.13 -1.32 0.00 0.00 176.35 175.67 1wf9 s ARG 77 N -1.54 3.48 0.29 1.98 0.52 -1.26 0.26 118.95 122.67 1wf9 s ARG 77 Ca 0.46 -0.43 0.22 0.00 -0.52 0.00 0.00 55.73 55.46 1wf9 s ARG 77 Cb -0.28 -2.96 1.07 0.00 0.52 0.00 0.00 34.95 33.30 1wf9 s ARG 77 CO 0.36 0.53 1.67 0.44 0.02 0.00 0.00 175.30 178.32 1wf9 n ILE 78 N -0.14 0.96 0.29 1.52 -5.35 -1.25 -1.28 119.36 114.11 1wf9 n ILE 78 Ca -0.05 0.51 0.17 0.00 -0.27 0.00 0.00 62.75 63.11 1wf9 n ILE 78 Cb 0.52 -1.48 0.90 0.00 -1.74 0.00 0.00 39.64 37.84 1wf9 n ILE 78 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1wf9 h SER 79 N 0.00 0.00 -0.34 7.28 4.64 -1.88 0.26 113.55 123.51 1wf9 h SER 79 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1wf9 h SER 79 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1wf9 h SER 79 CO 0.00 0.05 0.17 -1.28 -0.87 0.00 0.00 176.83 174.90 1wf9 h SER 80 N 0.00 0.48 0.00 4.97 0.87 -1.60 -2.22 113.55 116.05 1wf9 h SER 80 Ca -0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1wf9 h SER 80 Cb 0.21 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1wf9 h SER 80 CO 0.01 0.42 -0.97 0.18 -0.53 0.00 0.00 176.83 175.94 1wf9 n LEU 81 N -4.40 0.61 -2.89 2.23 4.77 -0.51 -5.03 117.00 111.78 1wf9 n LEU 81 Ca 0.03 -0.40 -0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1wf9 n LEU 81 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1wf9 n LEU 81 CO 0.37 0.15 0.31 0.59 -1.33 0.00 0.00 177.39 177.47 1wf9 n ASN 82 N -1.53 -7.14 -4.60 -1.43 4.13 0.81 -4.99 115.26 100.52 1wf9 n ASN 82 Ca 0.02 -0.07 -0.37 0.00 1.68 0.00 0.00 54.58 55.83 1wf9 n ASN 82 Cb 0.29 -4.84 -0.11 0.00 -1.54 0.00 0.00 39.78 33.59 1wf9 n ASN 82 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1wf9 s LEU 83 N -3.81 3.95 0.36 3.41 1.43 -1.13 -5.01 118.68 117.88 1wf9 s LEU 83 Ca 0.01 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1wf9 s LEU 83 Cb -0.00 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1wf9 s LEU 83 CO 0.67 0.01 0.09 0.00 0.23 0.00 0.00 176.35 177.35 1wf9 s ALA 84 N 1.37 2.56 -0.34 4.21 0.00 -1.26 -4.88 121.76 123.42 1wf9 s ALA 84 Ca 0.07 -1.66 -0.36 0.00 0.00 0.00 0.00 51.96 50.01 1wf9 s ALA 84 Cb -0.15 0.73 -0.12 0.00 0.00 0.00 0.00 23.12 23.59 1wf9 s ALA 84 CO 0.07 -0.33 2.16 1.58 0.00 0.00 0.00 175.76 179.23 1wf9 n HIS 85 N -0.77 1.63 0.00 0.00 -0.00 -1.26 0.95 115.22 115.78 1wf9 n HIS 85 Ca -0.04 0.30 0.00 0.00 0.46 0.00 0.00 57.72 58.44 1wf9 n HIS 85 Cb 0.66 -2.52 0.00 0.00 -0.12 0.00 0.00 29.99 28.00 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 6.40 1.52 3.19 1.57 0.00 -1.25 -5.05 105.19 111.57 1wf9 n GLY 86 Ca 0.40 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.57 -4.32 1.61 7.64 0.27 -4.83 113.62 111.42 1wf9 n SER 87 Ca 0.00 -0.09 -0.29 0.00 1.01 0.00 0.00 58.87 59.50 1wf9 n SER 87 Cb 0.00 -0.81 -0.15 0.00 -1.01 0.00 0.00 64.21 62.25 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 -2.98 1.68 0.07 1.43 -2.45 -1.26 -3.53 119.30 112.25 1wf9 s MET 88 Ca 0.50 -1.06 -0.18 0.00 -1.25 0.00 0.00 55.69 53.69 1wf9 s MET 88 Cb -0.04 -1.84 0.04 0.00 1.25 0.00 0.00 34.83 34.24 1wf9 s MET 88 CO 0.66 0.47 0.44 0.08 1.05 0.00 0.00 175.02 177.72 1wf9 s VAL 89 N -0.80 0.05 0.28 10.11 1.01 0.63 -4.93 120.40 126.75 1wf9 s VAL 89 Ca 0.11 -0.44 0.11 0.00 0.00 0.00 0.00 61.98 61.76 1wf9 s VAL 89 Cb -0.10 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1wf9 s VAL 89 CO 0.02 -0.24 -0.16 -0.31 0.00 0.00 0.00 175.10 174.41 1wf9 s TYR 90 N -2.93 2.37 -0.11 5.22 2.02 -1.06 0.64 117.35 123.51 1wf9 s TYR 90 Ca -0.02 -0.31 -0.04 0.00 -0.37 0.00 0.00 57.07 56.33 1wf9 s TYR 90 Cb 0.00 -1.03 0.05 0.00 -0.40 0.00 0.00 41.96 40.58 1wf9 s TYR 90 CO -0.06 0.70 0.21 -1.17 -1.57 0.00 0.00 175.55 173.66 1wf9 s LEU 91 N -3.53 -0.11 -0.16 -1.29 2.96 0.56 -3.53 118.68 113.57 1wf9 s LEU 91 Ca 0.30 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.69 1wf9 s LEU 91 Cb -0.05 0.51 0.02 0.00 0.50 0.00 0.00 46.19 47.17 1wf9 s LEU 91 CO 0.16 -0.23 -0.16 0.00 -1.32 0.00 0.00 176.35 174.79 1wf9 s ALA 92 N 2.23 2.05 0.35 5.97 0.00 -0.88 -3.95 121.76 127.54 1wf9 s ALA 92 Ca 0.01 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 50.98 1wf9 s ALA 92 Cb -0.12 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 1wf9 s ALA 92 CO -0.07 -0.37 0.18 1.52 0.00 0.00 0.00 175.76 177.01 1wf9 s TYR 93 N 1.41 1.71 0.22 0.00 -0.85 -1.25 -1.38 117.35 117.21 1wf9 s TYR 93 Ca 0.05 -1.41 0.10 0.00 -0.52 0.00 0.00 57.07 55.29 1wf9 s TYR 93 Cb -0.13 -0.94 -0.05 0.00 0.38 0.00 0.00 41.96 41.22 1wf9 s TYR 93 CO -0.12 -0.52 -0.18 -1.83 -1.52 0.00 0.00 175.55 171.38 1wf9 s GLU 94 N -3.68 1.47 -1.43 -3.49 -1.05 -1.26 -4.71 118.70 104.55 1wf9 s GLU 94 Ca 0.32 -1.61 -0.00 0.00 -0.15 0.00 0.00 54.97 53.53 1wf9 s GLU 94 Cb 0.03 -1.49 0.00 0.00 -0.44 0.00 0.00 34.13 32.24 1wf9 s GLU 94 CO 0.19 0.28 0.02 0.41 0.95 0.00 0.00 175.26 177.11 1wf9 n GLY 95 N -0.26 -0.32 6.99 -3.83 0.00 -1.26 -4.79 105.19 101.72 1wf9 n GLY 95 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.65 0.00 -2.07 1.61 0.28 -1.26 -4.66 120.64 111.90 1wf9 n GLU 96 Ca -0.19 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.52 1wf9 n GLU 96 Cb 0.65 0.00 0.05 0.00 1.43 0.00 0.00 31.44 33.57 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 0.00 2.74 0.00 3.44 0.52 -1.26 -4.87 118.95 119.52 1wf9 s ARG 97 Ca 0.00 0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.44 1wf9 s ARG 97 Cb 0.00 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.37 1wf9 s ARG 97 CO 0.00 -1.00 0.00 0.25 0.02 0.00 0.00 175.30 174.57 1wf9 n THR 98 N -2.90 0.00 -3.33 0.02 -2.24 0.28 -5.03 114.28 101.08 1wf9 n THR 98 Ca 0.06 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.54 1wf9 n THR 98 Cb 0.58 -1.83 -0.04 0.00 -2.10 0.00 0.00 70.33 66.93 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 -0.38 4.94 0.68 2.28 1.09 -1.26 -5.03 121.20 123.52 1wf9 s ILE 99 Ca 0.00 0.36 -0.14 0.00 -1.10 0.00 0.00 60.65 59.77 1wf9 s ILE 99 Cb 0.00 -3.67 0.01 0.00 -1.06 0.00 0.00 42.46 37.74 1wf9 s ILE 99 CO 0.00 -0.20 1.11 0.00 -0.10 0.00 0.00 174.94 175.75 1wf9 s ARG 100 N -3.17 2.68 0.00 2.79 1.70 -1.26 -5.04 118.95 116.65 1wf9 s ARG 100 Ca 0.47 1.38 0.00 0.00 -0.47 0.00 0.00 55.73 57.11 1wf9 s ARG 100 Cb -0.11 -1.94 0.00 0.00 -0.57 0.00 0.00 34.95 32.34 1wf9 s ARG 100 CO 0.25 -1.35 0.00 0.41 -1.08 0.00 0.00 175.30 173.53 1wf9 n GLY 101 N -0.56 2.23 3.44 3.88 0.00 -1.26 -5.17 105.19 107.75 1wf9 n GLY 101 Ca 0.10 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.07 0.18 1.61 0.15 -1.26 -5.18 113.70 109.13 1wf9 s SER 102 Ca 0.00 0.11 0.07 0.00 0.70 0.00 0.00 55.95 56.83 1wf9 s SER 102 Cb 0.00 1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 65.33 1wf9 s SER 102 CO 0.00 -0.02 0.00 -0.83 1.20 0.00 0.00 173.24 173.59 1wf9 s GLY 103 N 1.50 1.72 0.74 9.45 0.00 -1.26 -5.12 107.32 114.36 1wf9 s GLY 103 Ca -0.04 -1.38 -0.11 0.00 0.00 0.00 0.00 44.72 43.19 1wf9 s GLY 103 CO -0.13 -1.39 1.08 2.56 0.00 0.00 0.00 173.10 175.22 1wf9 s PRO 104 N -2.97 2.55 -0.27 2.90 0.04 -1.26 -5.07 135.00 130.92 1wf9 s PRO 104 Ca 0.28 0.81 -0.05 0.00 0.04 0.00 0.00 61.00 62.07 1wf9 s PRO 104 Cb -0.09 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.63 1wf9 s PRO 104 CO 0.19 -1.33 0.53 -1.54 0.04 0.00 0.00 177.00 174.88 1wf9 s SER 105 N -3.85 -0.75 0.34 6.66 1.04 -1.26 -5.14 113.70 110.74 1wf9 s SER 105 Ca 0.59 0.94 -0.29 0.00 0.48 0.00 0.00 55.95 57.67 1wf9 s SER 105 Cb -0.14 1.81 -0.11 0.00 0.10 0.00 0.00 66.02 67.68 1wf9 s SER 105 CO 0.55 -0.25 1.53 -0.94 0.98 0.00 0.00 173.24 175.10 1wf9 s SER 106 N 2.75 6.36 0.00 7.02 1.04 -1.26 -5.37 113.70 124.24 1wf9 s SER 106 Ca 0.08 3.01 0.00 0.00 0.48 0.00 0.00 55.95 59.52 1wf9 s SER 106 Cb -0.14 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.33 1wf9 s SER 106 CO -0.18 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.76