#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf9 h SER 2 N 0.00 0.00 0.00 1.61 0.87 -1.97 -3.38 113.55 110.69 1wf9 h SER 2 Ca 0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1wf9 h SER 2 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1wf9 h SER 2 CO 0.00 1.39 -0.19 -1.54 -0.53 0.00 0.00 176.83 175.96 1wf9 n SER 3 N -4.46 0.07 0.00 6.23 3.41 -1.26 -4.80 113.62 112.80 1wf9 n SER 3 Ca -0.28 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1wf9 n SER 3 Cb 0.62 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 1wf9 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wf9 n GLY 4 N 1.99 3.43 3.77 5.00 0.00 -1.26 -5.13 105.19 112.99 1wf9 n GLY 4 Ca 0.00 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 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 6.59 0.26 1.61 0.15 -1.26 -5.04 113.70 116.01 1wf9 s SER 5 Ca 0.00 2.37 0.07 0.00 0.70 0.00 0.00 55.95 59.09 1wf9 s SER 5 Cb 0.00 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 1wf9 s SER 5 CO 0.00 -0.63 -0.08 -0.94 1.20 0.00 0.00 173.24 172.79 1wf9 s SER 6 N -1.06 2.71 0.00 5.45 1.04 -1.26 -4.79 113.70 115.79 1wf9 s SER 6 Ca 0.56 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1wf9 s SER 6 Cb -0.32 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.65 1wf9 s SER 6 CO 0.40 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1wf9 n GLY 7 N -0.54 2.00 3.12 7.32 0.00 -1.26 -5.01 105.19 110.82 1wf9 n GLY 7 Ca -0.06 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 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 2.31 -0.13 2.61 2.01 -1.26 -4.98 115.64 116.20 1wf9 s THR 8 Ca 0.00 -1.27 -0.01 0.00 0.31 0.00 0.00 61.69 60.72 1wf9 s THR 8 Cb 0.00 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 1wf9 s THR 8 CO 0.00 0.20 -0.10 -0.32 -0.69 0.00 0.00 174.62 173.71 1wf9 s MET 9 N 1.22 3.36 -0.15 4.92 1.75 -1.26 -0.10 119.30 129.04 1wf9 s MET 9 Ca -0.02 -0.63 -0.01 0.00 -1.25 0.00 0.00 55.69 53.78 1wf9 s MET 9 Cb -0.17 -2.69 -0.01 0.00 2.84 0.00 0.00 34.83 34.79 1wf9 s MET 9 CO -0.07 0.29 -0.11 -0.51 -0.65 0.00 0.00 175.02 173.97 1wf9 s LEU 10 N 0.18 2.80 -0.27 4.11 2.01 0.15 -3.53 118.68 124.13 1wf9 s LEU 10 Ca -0.06 -0.32 -0.28 0.00 0.01 0.00 0.00 54.13 53.48 1wf9 s LEU 10 Cb -0.15 -1.65 0.01 0.00 0.01 0.00 0.00 46.19 44.41 1wf9 s LEU 10 CO 0.04 0.13 1.03 -0.60 1.01 0.00 0.00 176.35 177.96 1wf9 s ARG 11 N 0.55 4.16 -0.32 1.70 3.52 -1.20 -1.10 118.95 126.26 1wf9 s ARG 11 Ca -0.07 1.18 -0.02 0.00 -0.13 0.00 0.00 55.73 56.69 1wf9 s ARG 11 Cb -0.15 -3.68 0.06 0.00 -1.56 0.00 0.00 34.95 29.61 1wf9 s ARG 11 CO 0.03 -0.74 0.03 0.08 -0.81 0.00 0.00 175.30 173.90 1wf9 s VAL 12 N 3.35 3.08 -0.12 7.11 1.01 0.20 -1.78 120.40 133.26 1wf9 s VAL 12 Ca 0.43 -1.46 -0.26 0.00 0.00 0.00 0.00 61.98 60.69 1wf9 s VAL 12 Cb -0.14 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1wf9 s VAL 12 CO 0.10 -0.19 0.84 -0.60 0.00 0.00 0.00 175.10 175.25 1wf9 s ARG 13 N 1.24 4.37 0.30 2.72 6.06 0.51 -1.17 118.95 132.97 1wf9 s ARG 13 Ca -0.03 1.07 0.10 0.00 -2.50 0.00 0.00 55.73 54.37 1wf9 s ARG 13 Cb -0.20 -3.53 -0.05 0.00 0.06 0.00 0.00 34.95 31.23 1wf9 s ARG 13 CO -0.01 -0.21 -0.05 -1.54 -2.50 0.00 0.00 175.30 170.98 1wf9 s SER 14 N 1.06 4.12 0.43 -2.12 1.04 0.31 0.20 113.70 118.74 1wf9 s SER 14 Ca 0.41 -0.90 0.30 0.00 0.48 0.00 0.00 55.95 56.24 1wf9 s SER 14 Cb -0.17 -0.56 1.42 0.00 0.10 0.00 0.00 66.02 66.80 1wf9 s SER 14 CO 0.16 -0.08 1.90 0.08 0.98 0.00 0.00 173.24 176.28 1wf9 h ARG 15 N 1.97 0.00 0.00 4.02 0.11 -1.95 0.71 114.38 119.24 1wf9 h ARG 15 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1wf9 h ARG 15 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1wf9 h ARG 15 CO 0.63 0.00 -0.54 -0.25 0.10 0.00 0.00 179.97 179.91 1wf9 n ASP 16 N -2.63 0.62 0.00 0.08 9.92 -1.26 -5.04 116.55 118.25 1wf9 n ASP 16 Ca -0.00 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 1wf9 n ASP 16 Cb 0.17 0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.75 1wf9 n ASP 16 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wf9 n GLY 17 N 1.38 0.17 3.47 0.44 0.00 0.24 -5.10 105.19 105.80 1wf9 n GLY 17 Ca 0.04 -1.33 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 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 3.14 0.13 0.99 2.96 -1.26 0.11 118.68 124.75 1wf9 s LEU 18 Ca 0.00 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 1wf9 s LEU 18 Cb 0.00 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 1wf9 s LEU 18 CO 0.00 0.16 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.48 1wf9 s GLU 19 N 0.39 0.97 0.02 1.98 2.02 -0.32 -4.93 118.70 118.83 1wf9 s GLU 19 Ca -0.05 -1.35 0.06 0.00 0.02 0.00 0.00 54.97 53.65 1wf9 s GLU 19 Cb -0.15 -0.56 -0.02 0.00 0.10 0.00 0.00 34.13 33.50 1wf9 s GLU 19 CO 0.03 0.07 -0.17 -0.98 0.02 0.00 0.00 175.26 174.23 1wf9 s ARG 20 N -3.45 1.25 0.05 1.61 1.70 -1.26 0.63 118.95 119.48 1wf9 s ARG 20 Ca 0.13 -0.74 0.04 0.00 -0.47 0.00 0.00 55.73 54.69 1wf9 s ARG 20 Cb 0.01 -1.27 -0.02 0.00 -0.57 0.00 0.00 34.95 33.10 1wf9 s ARG 20 CO -0.00 0.33 -0.13 0.08 -1.08 0.00 0.00 175.30 174.50 1wf9 s VAL 21 N -0.64 0.99 -0.16 4.99 1.01 -0.26 -4.93 120.40 121.41 1wf9 s VAL 21 Ca 0.05 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 1wf9 s VAL 21 Cb -0.07 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 1wf9 s VAL 21 CO 0.01 -0.12 0.19 -0.55 0.00 0.00 0.00 175.10 174.63 1wf9 s SER 22 N -1.35 6.35 0.00 3.32 0.15 -1.26 0.32 113.70 121.22 1wf9 s SER 22 Ca -0.01 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1wf9 s SER 22 Cb -0.09 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1wf9 s SER 22 CO 0.01 0.21 0.00 1.33 1.20 0.00 0.00 173.24 176.00 1wf9 n VAL 23 N 3.12 0.00 -0.08 4.45 0.24 0.86 -4.96 118.33 121.96 1wf9 n VAL 23 Ca -0.16 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.02 1wf9 n VAL 23 Cb 0.53 -0.14 -0.07 0.00 -1.47 0.00 0.00 33.84 32.69 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 -0.65 2.41 0.00 -1.34 8.00 -1.26 -4.27 116.55 119.44 1wf9 n ASP 24 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1wf9 n ASP 24 Cb 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 1wf9 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wf9 n GLY 25 N 2.57 -0.85 0.19 0.44 0.00 -1.26 -4.78 105.19 101.50 1wf9 n GLY 25 Ca -0.29 -1.14 0.07 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.97 132.00 128.79 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 0.34 0.20 1.12 -0.23 0.00 0.00 178.00 179.43 1wf9 h HIS 27 N 0.00 0.00 -3.59 1.56 2.07 -2.02 -3.39 115.15 109.79 1wf9 h HIS 27 Ca -0.00 0.00 -0.48 0.00 -2.85 0.00 0.00 60.37 57.04 1wf9 h HIS 27 Cb 1.01 0.00 0.05 0.00 2.57 0.00 0.00 27.41 31.04 1wf9 h HIS 27 CO 0.00 0.00 0.15 0.96 -3.07 0.00 0.00 177.93 175.97 1wf9 s ILE 28 N -3.90 3.92 0.41 6.12 -5.25 -1.12 -5.06 121.20 116.32 1wf9 s ILE 28 Ca -0.03 0.02 0.07 0.00 -0.99 0.00 0.00 60.65 59.72 1wf9 s ILE 28 Cb 0.09 -3.54 -0.07 0.00 2.95 0.00 0.00 42.46 41.88 1wf9 s ILE 28 CO 0.27 -0.54 0.04 0.42 -1.79 0.00 0.00 174.94 173.34 1wf9 s THR 29 N -2.92 2.07 0.35 8.37 -4.23 -1.26 -3.75 115.64 114.27 1wf9 s THR 29 Ca 0.52 -1.94 0.13 0.00 -1.18 0.00 0.00 61.69 59.22 1wf9 s THR 29 Cb -0.10 -2.99 0.34 0.00 1.34 0.00 0.00 72.50 71.09 1wf9 s THR 29 CO 0.45 -0.00 1.75 0.58 -0.54 0.00 0.00 174.62 176.86 1wf9 h VAL 30 N 1.70 0.55 -0.29 2.29 2.07 0.17 0.33 116.25 123.07 1wf9 h VAL 30 Ca -0.44 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 66.96 1wf9 h VAL 30 Cb 1.24 -0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 1wf9 h VAL 30 CO 0.79 0.10 -0.09 0.77 0.02 0.00 0.00 177.57 179.15 1wf9 h SER 31 N 0.53 -0.33 -0.23 0.57 4.64 -1.70 0.61 113.55 117.63 1wf9 h SER 31 Ca 0.61 0.10 -0.16 0.00 -0.47 0.00 0.00 61.79 61.87 1wf9 h SER 31 Cb 1.30 0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.59 1wf9 h SER 31 CO -0.39 -0.12 -0.44 1.56 -0.87 0.00 0.00 176.83 176.57 1wf9 h GLN 32 N -0.03 0.79 0.47 4.77 4.20 -0.82 -2.18 115.11 122.31 1wf9 h GLN 32 Ca 0.15 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 1wf9 h GLN 32 Cb 0.25 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1wf9 h GLN 32 CO -0.32 1.07 -0.32 1.25 -0.67 0.00 0.00 178.83 179.83 1wf9 h LEU 33 N 0.64 -0.83 0.05 1.46 5.85 0.40 -0.77 115.31 122.11 1wf9 h LEU 33 Ca 0.04 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1wf9 h LEU 33 Cb 1.01 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 1wf9 h LEU 33 CO 0.10 -0.50 -0.07 0.11 -0.34 0.00 0.00 178.44 177.74 1wf9 h LYS 34 N -0.77 -0.13 -0.73 1.25 1.57 0.18 -1.82 116.57 116.12 1wf9 h LYS 34 Ca -0.05 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.88 1wf9 h LYS 34 Cb 0.65 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 32.85 1wf9 h LYS 34 CO 0.03 -0.08 -0.19 2.41 -0.57 0.00 0.00 179.45 181.05 1wf9 n THR 35 N -2.79 -0.31 0.09 -0.16 -1.04 -0.82 0.25 114.28 109.50 1wf9 n THR 35 Ca -0.02 1.68 -0.16 0.00 -2.04 0.00 0.00 64.05 63.51 1wf9 n THR 35 Cb 0.06 -2.32 -0.10 0.00 -1.82 0.00 0.00 70.33 66.16 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 -1.60 -0.04 -4.42 3.38 -0.58 0.40 115.31 112.45 1wf9 h LEU 36 Ca 0.35 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.49 1wf9 h LEU 36 Cb 0.53 0.60 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1wf9 h LEU 36 CO -0.75 -0.54 0.01 0.40 0.09 0.00 0.00 178.44 177.65 1wf9 h ILE 37 N -0.72 1.18 -1.32 1.22 5.03 0.16 0.63 117.51 123.69 1wf9 h ILE 37 Ca 0.00 -0.53 0.38 0.00 -0.12 0.00 0.00 64.86 64.59 1wf9 h ILE 37 Cb 0.74 1.47 -0.07 0.00 -3.03 0.00 0.00 36.82 35.93 1wf9 h ILE 37 CO -0.31 0.14 0.93 -0.61 -0.68 0.00 0.00 178.15 177.62 1wf9 h GLN 38 N -0.15 0.07 0.00 2.37 -0.00 0.37 1.51 115.11 119.28 1wf9 h GLN 38 Ca 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1wf9 h GLN 38 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.69 1wf9 h GLN 38 CO -0.00 0.05 -0.31 -3.47 0.00 0.00 0.00 178.83 175.10 1wf9 n ASP 39 N -4.27 1.04 -0.14 -0.69 2.03 0.14 0.17 116.55 114.83 1wf9 n ASP 39 Ca 0.30 0.45 -0.08 0.00 0.52 0.00 0.00 54.79 55.98 1wf9 n ASP 39 Cb 1.35 -0.71 -0.03 0.00 -0.72 0.00 0.00 41.12 41.01 1wf9 n ASP 39 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1wf9 h GLN 40 N -0.58 -0.26 0.00 -0.67 4.20 0.79 0.46 115.11 119.06 1wf9 h GLN 40 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1wf9 h GLN 40 Cb 0.31 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1wf9 h GLN 40 CO 0.00 -0.17 0.00 -0.07 -0.67 0.00 0.00 178.83 177.92 1wf9 h LEU 41 N -0.27 0.00 -2.24 1.46 3.38 0.19 -3.48 115.31 114.36 1wf9 h LEU 41 Ca 0.17 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.93 1wf9 h LEU 41 Cb 0.56 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.46 1wf9 h LEU 41 CO -0.59 0.00 -0.62 0.00 0.09 0.00 0.00 178.44 177.32 1wf9 n GLN 42 N -2.74 -3.02 -4.41 1.13 1.13 0.16 -4.59 117.38 105.03 1wf9 n GLN 42 Ca 0.04 0.65 -0.20 0.00 -1.94 0.00 0.00 57.00 55.55 1wf9 n GLN 42 Cb 0.44 -4.87 -0.14 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 -3.28 0.90 0.04 5.09 1.01 0.46 -1.15 121.20 124.25 1wf9 s ILE 43 Ca 0.21 -0.63 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 1wf9 s ILE 43 Cb -0.03 -0.78 -0.05 0.00 0.01 0.00 0.00 42.46 41.62 1wf9 s ILE 43 CO 0.55 0.15 1.18 -2.16 0.00 0.00 0.00 174.94 174.66 1wf9 s PRO 44 N -0.54 4.43 0.13 2.79 0.04 -1.26 -3.92 135.00 136.66 1wf9 s PRO 44 Ca 0.03 1.72 -0.32 0.00 0.04 0.00 0.00 61.00 62.47 1wf9 s PRO 44 Cb -0.05 -3.40 -0.09 0.00 0.04 0.00 0.00 34.50 31.00 1wf9 s PRO 44 CO 0.00 -0.27 1.56 0.82 0.04 0.00 0.00 177.00 179.15 1wf9 h ILE 45 N 4.63 0.03 -1.83 0.56 2.04 -1.92 1.34 117.51 122.36 1wf9 h ILE 45 Ca -0.40 0.00 0.54 0.00 1.00 0.00 0.00 64.86 66.00 1wf9 h ILE 45 Cb 1.21 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 1wf9 h ILE 45 CO 0.82 0.00 1.31 0.00 0.00 0.00 0.00 178.15 180.27 1wf9 n HIS 46 N -5.41 0.07 -0.08 1.37 1.44 -1.26 0.16 115.22 111.52 1wf9 n HIS 46 Ca -0.04 0.07 -0.23 0.00 -2.01 0.00 0.00 57.72 55.52 1wf9 n HIS 46 Cb 0.36 -0.54 -0.12 0.00 0.12 0.00 0.00 29.99 29.81 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 -3.91 1.97 -4.60 4.39 4.13 0.26 -4.93 115.26 112.58 1wf9 n ASN 47 Ca 0.42 0.29 -0.44 0.00 1.68 0.00 0.00 54.58 56.53 1wf9 n ASN 47 Cb 1.88 -0.86 -0.01 0.00 -1.54 0.00 0.00 39.78 39.25 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 -3.99 1.39 -3.77 3.52 6.02 0.42 -3.94 117.38 117.03 1wf9 n GLN 48 Ca -0.37 0.49 -0.27 0.00 -0.01 0.00 0.00 57.00 56.85 1wf9 n GLN 48 Cb 0.86 -1.89 -0.17 0.00 1.02 0.00 0.00 30.24 30.06 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 -1.09 0.60 -0.14 5.09 2.01 0.84 -4.86 115.64 118.10 1wf9 s THR 49 Ca 0.59 -0.40 -0.15 0.00 0.31 0.00 0.00 61.69 62.03 1wf9 s THR 49 Cb -0.67 -0.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 1wf9 s THR 49 CO 0.60 -0.03 0.37 -0.76 -0.69 0.00 0.00 174.62 174.11 1wf9 s LEU 50 N 1.84 4.27 -0.12 4.42 2.01 -1.26 -1.79 118.68 128.05 1wf9 s LEU 50 Ca 0.01 0.65 -0.29 0.00 0.01 0.00 0.00 54.13 54.50 1wf9 s LEU 50 Cb -0.16 -2.50 0.09 0.00 0.01 0.00 0.00 46.19 43.63 1wf9 s LEU 50 CO -0.07 0.08 0.78 -0.55 1.01 0.00 0.00 176.35 177.60 1wf9 s SER 51 N 0.43 -0.59 -0.54 2.29 0.15 -1.11 -4.01 113.70 110.32 1wf9 s SER 51 Ca 0.20 0.77 0.01 0.00 0.70 0.00 0.00 55.95 57.64 1wf9 s SER 51 Cb -0.14 0.65 0.51 0.00 -1.71 0.00 0.00 66.02 65.34 1wf9 s SER 51 CO 0.07 -0.46 1.88 0.35 1.20 0.00 0.00 173.24 176.27 1wf9 n THR 52 N 1.23 3.33 -4.21 6.45 -2.24 -1.26 -1.74 114.28 115.83 1wf9 n THR 52 Ca -0.16 -2.77 -0.16 0.00 -2.27 0.00 0.00 64.05 58.68 1wf9 n THR 52 Cb 0.57 -0.90 -0.14 0.00 -2.10 0.00 0.00 70.33 67.75 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 -1.92 0.83 0.50 3.42 3.84 -1.26 -5.01 114.94 115.34 1wf9 s ASN 53 Ca 0.60 -0.20 0.29 0.00 0.21 0.00 0.00 52.86 53.76 1wf9 s ASN 53 Cb 0.48 -0.07 1.04 0.00 -0.55 0.00 0.00 41.25 42.16 1wf9 s ASN 53 CO 0.03 0.04 1.87 0.08 -2.79 0.00 0.00 177.10 176.32 1wf9 h ARG 54 N 5.71 0.00 0.00 0.43 0.11 -2.00 -2.66 114.38 115.98 1wf9 h ARG 54 Ca -0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1wf9 h ARG 54 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1wf9 h ARG 54 CO 0.48 0.08 0.06 -0.91 0.10 0.00 0.00 179.97 179.78 1wf9 h ASN 55 N 0.00 0.00 -0.63 0.08 2.35 -1.99 -0.59 115.58 114.80 1wf9 h ASN 55 Ca -0.00 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1wf9 h ASN 55 Cb 0.68 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.01 1wf9 h ASN 55 CO 0.01 0.00 0.39 0.25 -1.65 0.00 0.00 177.43 176.43 1wf9 h LEU 56 N 0.00 0.63 -2.09 1.61 6.46 -1.86 0.16 115.31 120.22 1wf9 h LEU 56 Ca 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 1wf9 h LEU 56 Cb 0.12 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1wf9 h LEU 56 CO 0.00 0.44 -0.08 -0.07 -0.62 0.00 0.00 178.44 178.11 1wf9 h LEU 57 N 0.76 0.00 -0.04 2.25 3.38 -1.34 -2.24 115.31 118.09 1wf9 h LEU 57 Ca 0.25 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 1wf9 h LEU 57 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1wf9 h LEU 57 CO -0.10 0.08 -0.17 -0.07 0.09 0.00 0.00 178.44 178.26 1wf9 h LEU 58 N 0.00 0.22 -9.07 1.67 3.38 -0.82 -3.44 115.31 107.24 1wf9 h LEU 58 Ca -0.00 -0.66 -0.75 0.00 0.09 0.00 0.00 57.88 56.56 1wf9 h LEU 58 Cb 0.25 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1wf9 h LEU 58 CO 0.01 0.84 0.92 0.00 0.09 0.00 0.00 178.44 180.30 1wf9 n ALA 59 N -2.48 -0.22 -0.04 1.53 0.00 -0.34 -4.79 120.51 114.17 1wf9 n ALA 59 Ca -0.09 0.37 -0.03 0.00 0.00 0.00 0.00 53.44 53.69 1wf9 n ALA 59 Cb 0.42 -2.21 -0.07 0.00 0.00 0.00 0.00 19.45 17.59 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 5.47 2.26 -2.97 0.00 4.76 -1.26 -4.93 118.16 121.49 1wf9 n LYS 60 Ca 0.28 -0.01 -0.19 0.00 -2.87 0.00 0.00 58.31 55.52 1wf9 n LYS 60 Cb 0.11 -1.23 0.04 0.00 -1.84 0.00 0.00 35.03 32.11 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 -3.98 5.29 0.00 4.39 1.04 -1.26 -5.04 113.70 114.13 1wf9 s SER 61 Ca -0.04 -0.59 -0.20 0.00 0.48 0.00 0.00 55.95 55.59 1wf9 s SER 61 Cb 0.03 -0.18 -0.22 0.00 0.10 0.00 0.00 66.02 65.75 1wf9 s SER 61 CO 0.37 -1.13 1.12 1.55 0.98 0.00 0.00 173.24 176.13 1wf9 h PRO 62 N 0.31 0.37 -0.98 4.02 0.13 -1.99 -3.10 132.00 130.76 1wf9 h PRO 62 Ca -0.35 -0.36 0.12 0.00 -0.87 0.00 0.00 66.00 64.54 1wf9 h PRO 62 Cb 1.28 0.09 -0.08 0.00 0.13 0.00 0.00 31.00 32.43 1wf9 h PRO 62 CO 0.43 1.03 0.62 0.77 -0.23 0.00 0.00 178.00 180.62 1wf9 h SER 63 N -0.15 0.88 -0.44 1.44 0.02 -1.99 0.09 113.55 113.41 1wf9 h SER 63 Ca -0.05 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1wf9 h SER 63 Cb 1.17 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 1wf9 h SER 63 CO 0.10 0.47 0.28 -0.78 -1.14 0.00 0.00 176.83 175.76 1wf9 h ASP 64 N 0.95 0.48 0.26 3.07 1.82 -1.97 -0.89 116.42 120.14 1wf9 h ASP 64 Ca 0.48 -0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 57.09 1wf9 h ASP 64 Cb 0.50 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.40 1wf9 h ASP 64 CO -0.24 0.35 -0.10 -0.26 -1.61 0.00 0.00 179.24 177.37 1wf9 h PHE 65 N 0.57 0.00 0.00 0.28 0.04 -0.95 0.10 116.94 116.98 1wf9 h PHE 65 Ca 0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1wf9 h PHE 65 Cb -0.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.10 1wf9 h PHE 65 CO -0.05 0.10 0.00 -0.07 -0.60 0.00 0.00 178.31 177.69 1wf9 h LEU 66 N 0.00 0.00 -0.63 1.54 3.38 0.15 -1.84 115.31 117.91 1wf9 h LEU 66 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1wf9 h LEU 66 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1wf9 h LEU 66 CO 0.01 0.00 -0.57 0.00 0.09 0.00 0.00 178.44 177.97 1wf9 h ALA 67 N 2.15 0.82 -2.31 1.53 0.00 -0.84 -3.40 119.26 117.21 1wf9 h ALA 67 Ca 0.00 -0.52 -0.66 0.00 0.00 0.00 0.00 54.91 53.72 1wf9 h ALA 67 Cb 0.34 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 17.88 1wf9 h ALA 67 CO 0.00 0.70 -0.02 -0.06 0.00 0.00 0.00 179.25 179.88 1wf9 s PHE 68 N -3.86 3.13 -0.31 0.00 0.08 -0.69 -4.90 117.98 111.43 1wf9 s PHE 68 Ca -0.05 -0.08 0.19 0.00 0.12 0.00 0.00 56.93 57.11 1wf9 s PHE 68 Cb 0.12 -3.10 0.47 0.00 -0.57 0.00 0.00 43.02 39.94 1wf9 s PHE 68 CO 0.81 -0.73 1.00 0.25 -0.10 0.00 0.00 175.22 176.45 1wf9 n THR 69 N 5.62 1.02 0.08 0.64 -2.24 -1.26 -4.88 114.28 113.25 1wf9 n THR 69 Ca -0.04 -2.97 -0.22 0.00 -2.27 0.00 0.00 64.05 58.55 1wf9 n THR 69 Cb 0.48 0.82 -0.15 0.00 -2.10 0.00 0.00 70.33 69.38 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 2.87 0.60 -2.06 3.42 3.32 -1.91 -3.37 116.42 119.29 1wf9 h ASP 70 Ca -0.12 -0.93 -0.59 0.00 0.02 0.00 0.00 57.03 55.42 1wf9 h ASP 70 Cb 1.20 -0.19 -0.42 0.00 0.22 0.00 0.00 39.33 40.14 1wf9 h ASP 70 CO 0.41 1.58 -0.64 0.23 -1.72 0.00 0.00 179.24 179.10 1wf9 n MET 71 N -3.91 3.33 -0.00 3.56 2.81 -1.26 -4.70 117.12 116.95 1wf9 n MET 71 Ca -0.18 -4.75 0.03 0.00 -1.81 0.00 0.00 57.70 50.99 1wf9 n MET 71 Cb 0.96 -2.25 -0.12 0.00 -0.71 0.00 0.00 33.22 31.10 1wf9 n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wf9 n ALA 72 N -0.32 2.20 -2.58 3.04 0.00 -1.26 -4.64 120.51 116.95 1wf9 n ALA 72 Ca 0.34 -0.68 -0.43 0.00 0.00 0.00 0.00 53.44 52.67 1wf9 n ALA 72 Cb 0.47 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 19.17 1wf9 n ALA 72 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wf9 s ASP 73 N -5.24 7.07 0.37 0.00 2.15 -1.26 -4.89 116.67 114.88 1wf9 s ASP 73 Ca -0.06 1.52 0.27 0.00 0.43 0.00 0.00 52.55 54.71 1wf9 s ASP 73 Cb 0.10 -2.54 0.89 0.00 -0.30 0.00 0.00 42.92 41.06 1wf9 s ASP 73 CO 0.85 -0.66 1.78 1.55 -0.17 0.00 0.00 175.17 178.52 1wf9 h PRO 74 N 7.61 0.00 -0.60 4.34 0.13 -1.93 -2.46 132.00 139.09 1wf9 h PRO 74 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1wf9 h PRO 74 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1wf9 h PRO 74 CO 0.95 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.81 1wf9 n ASN 75 N -2.70 3.20 -4.85 1.44 3.02 -1.26 -2.26 115.26 111.85 1wf9 n ASN 75 Ca 0.03 -2.00 -0.36 0.00 -0.03 0.00 0.00 54.58 52.22 1wf9 n ASN 75 Cb 0.37 -0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 39.09 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 -1.00 4.39 0.16 3.41 2.96 -0.93 -4.92 118.68 122.75 1wf9 s LEU 76 Ca 0.40 0.94 -0.03 0.00 -0.22 0.00 0.00 54.13 55.22 1wf9 s LEU 76 Cb 0.21 -2.93 -0.05 0.00 0.50 0.00 0.00 46.19 43.92 1wf9 s LEU 76 CO 0.27 0.21 0.36 -0.13 -1.32 0.00 0.00 176.35 175.74 1wf9 s ARG 77 N -1.63 3.56 0.47 1.98 3.00 -1.26 0.68 118.95 125.75 1wf9 s ARG 77 Ca 0.31 -0.21 0.25 0.00 0.00 0.00 0.00 55.73 56.08 1wf9 s ARG 77 Cb -0.15 -2.86 1.12 0.00 0.00 0.00 0.00 34.95 33.06 1wf9 s ARG 77 CO 0.17 0.46 1.92 -0.84 0.00 0.00 0.00 175.30 177.01 1wf9 h ILE 78 N 1.87 0.61 -0.02 1.52 3.07 -1.75 -2.07 117.51 120.74 1wf9 h ILE 78 Ca -0.46 -0.91 0.00 0.00 1.55 0.00 0.00 64.86 65.04 1wf9 h ILE 78 Cb 1.17 1.60 -0.00 0.00 -0.27 0.00 0.00 36.82 39.32 1wf9 h ILE 78 CO 0.71 0.20 0.04 -1.28 -1.05 0.00 0.00 178.15 176.77 1wf9 h SER 79 N 0.00 0.00 -0.57 2.16 0.87 -1.87 0.14 113.55 114.29 1wf9 h SER 79 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1wf9 h SER 79 Cb 0.58 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 1wf9 h SER 79 CO 0.03 0.00 0.21 -1.28 -0.53 0.00 0.00 176.83 175.25 1wf9 h SER 80 N 0.00 0.84 0.10 6.23 0.87 -1.77 -1.24 113.55 118.58 1wf9 h SER 80 Ca 0.01 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1wf9 h SER 80 Cb 0.09 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1wf9 h SER 80 CO -0.00 0.78 -0.22 0.18 -0.53 0.00 0.00 176.83 177.04 1wf9 n LEU 81 N -4.29 1.54 -2.99 2.23 4.77 -0.04 -4.97 117.00 113.25 1wf9 n LEU 81 Ca 0.05 -0.49 -0.06 0.00 -0.03 0.00 0.00 56.01 55.47 1wf9 n LEU 81 Cb 0.20 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1wf9 n LEU 81 CO 0.40 0.28 0.19 0.59 -1.33 0.00 0.00 177.39 177.51 1wf9 n ASN 82 N -0.13 -6.79 -4.69 -1.43 4.13 -0.47 -4.99 115.26 100.89 1wf9 n ASN 82 Ca 0.13 -0.32 -0.35 0.00 1.68 0.00 0.00 54.58 55.72 1wf9 n ASN 82 Cb 0.40 -4.85 -0.09 0.00 -1.54 0.00 0.00 39.78 33.70 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 -4.42 4.08 0.44 3.41 1.43 -1.16 -5.02 118.68 117.44 1wf9 s LEU 83 Ca 0.19 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1wf9 s LEU 83 Cb -0.02 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1wf9 s LEU 83 CO 0.68 0.15 0.05 0.00 0.23 0.00 0.00 176.35 177.46 1wf9 s ALA 84 N 0.52 3.40 -0.59 4.21 0.00 -1.26 -4.80 121.76 123.24 1wf9 s ALA 84 Ca 0.07 -1.13 -0.25 0.00 0.00 0.00 0.00 51.96 50.65 1wf9 s ALA 84 Cb -0.12 0.34 -0.22 0.00 0.00 0.00 0.00 23.12 23.12 1wf9 s ALA 84 CO -0.00 -0.16 1.84 1.58 0.00 0.00 0.00 175.76 179.01 1wf9 n HIS 85 N -1.04 1.37 0.00 0.00 -0.00 -1.26 -2.31 115.22 111.98 1wf9 n HIS 85 Ca -0.11 -1.35 0.00 0.00 0.46 0.00 0.00 57.72 56.72 1wf9 n HIS 85 Cb 0.66 -1.53 0.00 0.00 -0.12 0.00 0.00 29.99 29.00 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 4.81 0.00 3.74 1.57 0.00 -1.23 -4.88 105.19 109.21 1wf9 n GLY 86 Ca 0.48 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.27 1wf9 n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf9 s SER 87 N 0.00 4.60 -0.03 1.61 0.01 -0.98 -5.03 113.70 113.88 1wf9 s SER 87 Ca 0.00 -0.89 -0.00 0.00 1.31 0.00 0.00 55.95 56.36 1wf9 s SER 87 Cb 0.00 -0.61 -0.04 0.00 0.21 0.00 0.00 66.02 65.58 1wf9 s SER 87 CO 0.00 -0.42 0.04 -0.32 0.41 0.00 0.00 173.24 172.95 1wf9 s MET 88 N -3.89 2.97 0.00 12.44 -2.45 -1.26 -3.27 119.30 123.84 1wf9 s MET 88 Ca 0.40 -0.49 -0.21 0.00 -1.25 0.00 0.00 55.69 54.13 1wf9 s MET 88 Cb -0.00 -2.79 0.04 0.00 1.25 0.00 0.00 34.83 33.33 1wf9 s MET 88 CO 0.23 0.66 0.46 0.08 1.05 0.00 0.00 175.02 177.50 1wf9 s VAL 89 N -1.08 0.04 -0.11 10.11 1.01 -0.73 -4.90 120.40 124.73 1wf9 s VAL 89 Ca 0.19 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1wf9 s VAL 89 Cb -0.12 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1wf9 s VAL 89 CO 0.10 -0.17 -0.23 -0.31 0.00 0.00 0.00 175.10 174.48 1wf9 s TYR 90 N -1.79 2.58 -0.22 5.22 2.02 -0.71 0.19 117.35 124.64 1wf9 s TYR 90 Ca -0.09 -1.14 -0.03 0.00 -0.37 0.00 0.00 57.07 55.43 1wf9 s TYR 90 Cb -0.02 -1.74 -0.00 0.00 -0.40 0.00 0.00 41.96 39.80 1wf9 s TYR 90 CO 0.03 -0.48 -0.06 -1.17 -1.57 0.00 0.00 175.55 172.30 1wf9 s LEU 91 N 0.51 2.85 -0.16 -1.29 2.96 0.53 -2.76 118.68 121.32 1wf9 s LEU 91 Ca -0.15 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.30 1wf9 s LEU 91 Cb -0.17 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.83 1wf9 s LEU 91 CO 0.05 -0.03 -0.20 0.00 -1.32 0.00 0.00 176.35 174.85 1wf9 s ALA 92 N 1.44 2.32 0.20 5.97 0.00 -0.74 -3.92 121.76 127.03 1wf9 s ALA 92 Ca 0.05 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1wf9 s ALA 92 Cb -0.14 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1wf9 s ALA 92 CO -0.04 -0.19 0.08 1.52 0.00 0.00 0.00 175.76 177.13 1wf9 s TYR 93 N 1.05 1.21 0.12 0.00 -0.85 -1.25 -0.11 117.35 117.52 1wf9 s TYR 93 Ca -0.01 -1.23 0.09 0.00 -0.52 0.00 0.00 57.07 55.40 1wf9 s TYR 93 Cb -0.14 -0.66 -0.04 0.00 0.38 0.00 0.00 41.96 41.50 1wf9 s TYR 93 CO -0.07 -0.46 -0.17 -1.83 -1.52 0.00 0.00 175.55 171.50 1wf9 s GLU 94 N -4.06 1.81 -0.99 -3.49 -1.05 -1.26 -4.59 118.70 105.06 1wf9 s GLU 94 Ca 0.33 -1.19 0.00 0.00 -0.15 0.00 0.00 54.97 53.96 1wf9 s GLU 94 Cb 0.07 -2.12 0.00 0.00 -0.44 0.00 0.00 34.13 31.65 1wf9 s GLU 94 CO 0.09 0.47 0.00 0.41 0.95 0.00 0.00 175.26 177.18 1wf9 n GLY 95 N 0.71 0.51 7.00 -3.83 0.00 -1.26 -4.83 105.19 103.49 1wf9 n GLY 95 Ca -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.32 0.00 0.00 1.61 0.28 -1.26 -4.75 120.64 114.20 1wf9 n GLU 96 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1wf9 n GLU 96 Cb 0.48 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.35 1wf9 n GLU 96 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wf9 n ARG 97 N -0.37 -0.21 -1.68 3.44 1.74 -1.26 -4.88 116.66 113.43 1wf9 n ARG 97 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1wf9 n ARG 97 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1wf9 n ARG 97 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wf9 n THR 98 N -1.71 0.00 -2.83 0.55 -2.24 -0.30 -4.98 114.28 102.76 1wf9 n THR 98 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1wf9 n THR 98 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 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 -0.80 4.28 0.12 2.28 1.09 -1.26 -5.00 121.20 121.90 1wf9 s ILE 99 Ca 0.00 1.72 0.07 0.00 -1.10 0.00 0.00 60.65 61.33 1wf9 s ILE 99 Cb 0.00 -3.95 -0.04 0.00 -1.06 0.00 0.00 42.46 37.42 1wf9 s ILE 99 CO 0.00 0.10 -0.16 0.00 -0.10 0.00 0.00 174.94 174.78 1wf9 s ARG 100 N -2.17 1.06 0.00 2.79 1.04 -1.26 -5.06 118.95 115.35 1wf9 s ARG 100 Ca 0.51 -1.21 0.00 0.00 -1.04 0.00 0.00 55.73 53.99 1wf9 s ARG 100 Cb -0.17 -1.07 0.00 0.00 -2.04 0.00 0.00 34.95 31.66 1wf9 s ARG 100 CO 0.22 0.22 0.00 0.41 -0.04 0.00 0.00 175.30 176.12 1wf9 n GLY 101 N 0.72 3.78 3.26 3.88 0.00 -1.26 -5.17 105.19 110.41 1wf9 n GLY 101 Ca -0.17 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 43.94 1wf9 n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wf9 s SER 102 N 0.17 1.34 0.29 1.61 1.04 -1.26 -5.17 113.70 111.71 1wf9 s SER 102 Ca 0.00 -1.19 0.04 0.00 0.48 0.00 0.00 55.95 55.28 1wf9 s SER 102 Cb 0.00 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 1wf9 s SER 102 CO 0.00 -0.57 0.24 -0.83 0.98 0.00 0.00 173.24 173.06 1wf9 s GLY 103 N -3.21 2.01 0.57 7.32 0.00 -1.26 -5.10 107.32 107.66 1wf9 s GLY 103 Ca 0.26 -1.93 -0.16 0.00 0.00 0.00 0.00 44.72 42.88 1wf9 s GLY 103 CO 0.06 -1.43 1.05 2.56 0.00 0.00 0.00 173.10 175.33 1wf9 s PRO 104 N -3.67 3.44 -0.30 2.90 0.04 -1.26 -4.92 135.00 131.22 1wf9 s PRO 104 Ca 0.40 1.19 -0.17 0.00 0.04 0.00 0.00 61.00 62.46 1wf9 s PRO 104 Cb 0.04 -2.05 0.21 0.00 0.04 0.00 0.00 34.50 32.74 1wf9 s PRO 104 CO 0.22 -0.71 1.27 -1.54 0.04 0.00 0.00 177.00 176.28 1wf9 s SER 105 N -2.76 -0.06 -0.01 6.66 1.04 -1.26 -3.91 113.70 113.40 1wf9 s SER 105 Ca 0.63 0.09 -0.10 0.00 0.48 0.00 0.00 55.95 57.06 1wf9 s SER 105 Cb -0.15 1.03 -0.05 0.00 0.10 0.00 0.00 66.02 66.95 1wf9 s SER 105 CO 0.35 -0.01 0.30 -0.94 0.98 0.00 0.00 173.24 173.92 1wf9 s SER 106 N 1.22 6.59 0.00 7.02 1.04 -1.26 -5.06 113.70 123.25 1wf9 s SER 106 Ca -0.07 0.70 0.31 0.00 0.48 0.00 0.00 55.95 57.38 1wf9 s SER 106 Cb -0.02 -2.15 1.87 0.00 0.10 0.00 0.00 66.02 65.82 1wf9 s SER 106 CO -0.11 0.29 2.19 0.61 0.98 0.00 0.00 173.24 177.21