#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 6.69 0.06 1.61 0.01 -1.26 -4.93 113.70 115.88 1wf9 s SER 2 Ca 0.00 -3.43 0.09 0.00 1.31 0.00 0.00 55.95 53.92 1wf9 s SER 2 Cb 0.00 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 64.10 1wf9 s SER 2 CO 0.00 -0.31 -0.25 -0.44 0.41 0.00 0.00 173.24 172.65 1wf9 s SER 3 N 0.99 2.96 0.43 2.44 0.01 -1.26 -5.09 113.70 114.18 1wf9 s SER 3 Ca 0.27 -0.60 0.07 0.00 1.31 0.00 0.00 55.95 57.00 1wf9 s SER 3 Cb -0.10 -0.25 0.07 0.00 0.21 0.00 0.00 66.02 65.95 1wf9 s SER 3 CO -0.09 0.21 0.57 0.61 0.41 0.00 0.00 173.24 174.95 1wf9 n GLY 4 N 1.65 2.03 3.77 3.44 0.00 -1.26 -5.08 105.19 109.74 1wf9 n GLY 4 Ca -0.17 -2.21 -0.37 0.00 0.00 0.00 0.00 46.02 43.27 1wf9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf9 s SER 5 N -3.66 6.15 0.03 1.61 0.01 -1.26 -4.96 113.70 111.62 1wf9 s SER 5 Ca 0.44 2.25 -0.24 0.00 1.31 0.00 0.00 55.95 59.71 1wf9 s SER 5 Cb -0.03 -2.60 -0.17 0.00 0.21 0.00 0.00 66.02 63.43 1wf9 s SER 5 CO 0.28 -0.93 1.45 -1.28 0.41 0.00 0.00 173.24 173.16 1wf9 h SER 6 N 1.92 0.08 0.00 2.44 0.87 -1.82 -3.47 113.55 113.57 1wf9 h SER 6 Ca -0.49 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 59.75 1wf9 h SER 6 Cb 1.25 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1wf9 h SER 6 CO 0.60 0.38 0.00 0.61 -0.53 0.00 0.00 176.83 177.89 1wf9 n GLY 7 N -0.24 0.09 3.07 5.77 0.00 -1.26 -5.14 105.19 107.47 1wf9 n GLY 7 Ca -0.07 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 1.99 -0.14 2.61 2.01 -1.26 -4.95 115.64 115.90 1wf9 s THR 8 Ca 0.00 -1.21 -0.02 0.00 0.31 0.00 0.00 61.69 60.77 1wf9 s THR 8 Cb 0.00 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.51 1wf9 s THR 8 CO 0.00 0.24 -0.08 -0.32 -0.69 0.00 0.00 174.62 173.77 1wf9 s MET 9 N 1.25 3.49 -0.12 4.92 1.75 -1.26 -2.30 119.30 127.04 1wf9 s MET 9 Ca -0.02 -0.59 -0.01 0.00 -1.25 0.00 0.00 55.69 53.82 1wf9 s MET 9 Cb -0.16 -2.77 -0.03 0.00 2.84 0.00 0.00 34.83 34.71 1wf9 s MET 9 CO -0.09 0.26 -0.07 -0.51 -0.65 0.00 0.00 175.02 173.96 1wf9 s LEU 10 N 0.28 3.12 -0.60 4.11 2.01 -1.20 -3.04 118.68 123.36 1wf9 s LEU 10 Ca -0.06 -0.12 -0.20 0.00 0.01 0.00 0.00 54.13 53.76 1wf9 s LEU 10 Cb -0.15 -1.71 0.09 0.00 0.01 0.00 0.00 46.19 44.43 1wf9 s LEU 10 CO 0.04 0.25 0.76 -0.60 1.01 0.00 0.00 176.35 177.81 1wf9 s ARG 11 N -0.11 3.07 0.13 1.70 3.52 -1.20 -3.43 118.95 122.62 1wf9 s ARG 11 Ca 0.01 -1.17 -0.04 0.00 -0.13 0.00 0.00 55.73 54.40 1wf9 s ARG 11 Cb -0.13 -4.25 -0.05 0.00 -1.56 0.00 0.00 34.95 28.96 1wf9 s ARG 11 CO 0.03 -1.59 0.34 0.08 -0.81 0.00 0.00 175.30 173.35 1wf9 s VAL 12 N 3.02 5.21 -0.07 7.11 1.01 -0.84 -0.78 120.40 135.06 1wf9 s VAL 12 Ca 0.14 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.14 1wf9 s VAL 12 Cb -0.22 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1wf9 s VAL 12 CO 0.08 0.06 -0.24 -0.60 0.00 0.00 0.00 175.10 174.40 1wf9 s ARG 13 N -2.61 2.60 0.24 2.72 6.06 0.45 -1.16 118.95 127.25 1wf9 s ARG 13 Ca 0.40 -0.88 0.00 0.00 -2.50 0.00 0.00 55.73 52.75 1wf9 s ARG 13 Cb -0.12 -2.14 -0.00 0.00 0.06 0.00 0.00 34.95 32.74 1wf9 s ARG 13 CO 0.25 0.33 0.01 -1.13 -2.50 0.00 0.00 175.30 172.26 1wf9 n SER 14 N 3.08 2.48 -1.72 -2.12 3.41 -0.66 0.20 113.62 118.28 1wf9 n SER 14 Ca -0.18 -2.09 -0.10 0.00 -0.26 0.00 0.00 58.87 56.24 1wf9 n SER 14 Cb 0.52 0.22 0.17 0.00 -0.26 0.00 0.00 64.21 64.86 1wf9 n SER 14 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1wf9 n ARG 15 N -0.60 2.40 -1.01 4.33 1.85 -1.26 -3.70 116.66 118.66 1wf9 n ARG 15 Ca -0.09 -2.08 -0.03 0.00 -1.00 0.00 0.00 57.85 54.65 1wf9 n ARG 15 Cb 0.31 -1.87 -0.03 0.00 -1.05 0.00 0.00 32.46 29.82 1wf9 n ARG 15 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1wf9 n ASP 16 N -0.31 -0.33 0.00 2.89 2.03 -1.26 -5.14 116.55 114.43 1wf9 n ASP 16 Ca 0.34 -1.85 0.00 0.00 0.52 0.00 0.00 54.79 53.80 1wf9 n ASP 16 Cb 1.18 0.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.67 1wf9 n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wf9 n GLY 17 N 0.11 1.44 3.71 0.27 0.00 -1.24 -5.01 105.19 104.48 1wf9 n GLY 17 Ca -0.14 -2.17 -0.39 0.00 0.00 0.00 0.00 46.02 43.32 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 4.28 0.07 0.99 2.96 -1.26 -1.66 118.68 124.06 1wf9 s LEU 18 Ca 0.00 0.96 0.06 0.00 -0.22 0.00 0.00 54.13 54.93 1wf9 s LEU 18 Cb 0.00 -2.86 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 1wf9 s LEU 18 CO 0.00 -0.06 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.25 1wf9 s GLU 19 N 0.79 2.22 0.04 1.98 2.02 -0.31 -4.96 118.70 120.46 1wf9 s GLU 19 Ca 0.31 -0.95 0.03 0.00 0.02 0.00 0.00 54.97 54.38 1wf9 s GLU 19 Cb -0.16 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 1wf9 s GLU 19 CO 0.13 0.54 -0.03 1.03 0.02 0.00 0.00 175.26 176.95 1wf9 s ARG 20 N -1.88 2.59 0.05 1.61 1.81 -1.26 -1.98 118.95 119.89 1wf9 s ARG 20 Ca 0.19 -0.75 -0.01 0.00 -1.72 0.00 0.00 55.73 53.45 1wf9 s ARG 20 Cb -0.11 -2.55 -0.04 0.00 -0.45 0.00 0.00 34.95 31.81 1wf9 s ARG 20 CO 0.11 0.58 -0.03 0.08 -0.68 0.00 0.00 175.30 175.36 1wf9 s VAL 21 N -1.14 0.23 -0.17 3.52 1.01 -1.22 -5.00 120.40 117.63 1wf9 s VAL 21 Ca 0.21 -1.61 -0.06 0.00 0.00 0.00 0.00 61.98 60.52 1wf9 s VAL 21 Cb -0.11 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1wf9 s VAL 21 CO 0.12 -0.88 0.01 -0.55 0.00 0.00 0.00 175.10 173.81 1wf9 s SER 22 N -2.59 5.24 0.00 3.32 0.15 -1.26 -3.27 113.70 115.29 1wf9 s SER 22 Ca 0.02 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1wf9 s SER 22 Cb 0.04 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 1wf9 s SER 22 CO -0.08 0.18 0.00 1.33 1.20 0.00 0.00 173.24 175.87 1wf9 n VAL 23 N 3.48 0.00 -0.03 4.45 0.24 -0.97 -4.94 118.33 120.55 1wf9 n VAL 23 Ca -0.17 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.07 1wf9 n VAL 23 Cb 0.52 0.00 -0.03 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 -0.61 1.73 0.00 -1.34 8.00 -1.26 -4.41 116.55 118.65 1wf9 n ASP 24 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1wf9 n ASP 24 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 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 2.84 -0.60 0.19 0.44 0.00 -1.26 -4.52 105.19 102.28 1wf9 n GLY 25 Ca -0.12 -1.00 0.07 0.00 0.00 0.00 0.00 46.02 44.97 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 0.33 0.21 1.12 -0.23 0.00 0.00 178.00 179.42 1wf9 h HIS 27 N 0.00 0.00 -3.58 1.56 2.07 -1.99 -3.39 115.15 109.82 1wf9 h HIS 27 Ca -0.00 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.01 1wf9 h HIS 27 Cb 1.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.96 1wf9 h HIS 27 CO 0.00 0.00 0.01 0.96 -3.07 0.00 0.00 177.93 175.83 1wf9 s ILE 28 N -3.91 4.81 0.37 6.12 -5.25 -1.12 -5.05 121.20 117.17 1wf9 s ILE 28 Ca -0.03 0.64 0.08 0.00 -0.99 0.00 0.00 60.65 60.35 1wf9 s ILE 28 Cb 0.09 -3.65 -0.03 0.00 2.95 0.00 0.00 42.46 41.82 1wf9 s ILE 28 CO 0.27 -0.23 0.31 0.42 -1.79 0.00 0.00 174.94 173.92 1wf9 s THR 29 N -2.02 3.06 0.35 8.37 -4.23 -1.26 -3.60 115.64 116.31 1wf9 s THR 29 Ca 0.50 -1.41 0.14 0.00 -1.18 0.00 0.00 61.69 59.74 1wf9 s THR 29 Cb -0.11 -3.08 0.34 0.00 1.34 0.00 0.00 72.50 71.00 1wf9 s THR 29 CO 0.23 -0.10 1.72 0.58 -0.54 0.00 0.00 174.62 176.51 1wf9 h VAL 30 N 1.20 0.46 -0.77 2.29 2.07 -0.41 0.90 116.25 121.99 1wf9 h VAL 30 Ca -0.43 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 66.99 1wf9 h VAL 30 Cb 1.26 -0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1wf9 h VAL 30 CO 0.59 0.08 0.45 -1.28 0.02 0.00 0.00 177.57 177.44 1wf9 h SER 31 N 0.46 0.69 0.43 0.57 0.87 -1.75 0.36 113.55 115.18 1wf9 h SER 31 Ca 0.66 0.03 -0.20 0.00 -1.23 0.00 0.00 61.79 61.05 1wf9 h SER 31 Cb 1.45 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 1wf9 h SER 31 CO -0.46 0.44 -0.86 1.56 -0.53 0.00 0.00 176.83 176.98 1wf9 h GLN 32 N 0.82 0.31 0.61 2.24 4.20 0.32 -2.49 115.11 121.12 1wf9 h GLN 32 Ca 0.34 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1wf9 h GLN 32 Cb 0.20 0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.07 1wf9 h GLN 32 CO -0.18 1.00 -0.29 1.25 -0.67 0.00 0.00 178.83 179.93 1wf9 h LEU 33 N 0.18 -0.69 0.18 1.46 6.46 0.68 -1.53 115.31 122.05 1wf9 h LEU 33 Ca -0.05 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1wf9 h LEU 33 Cb 1.47 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 41.56 1wf9 h LEU 33 CO 0.14 -0.41 -0.26 0.11 -0.62 0.00 0.00 178.44 177.40 1wf9 h LYS 34 N -0.95 -0.44 -0.86 1.25 1.57 -0.41 -1.72 116.57 115.02 1wf9 h LYS 34 Ca -0.08 0.03 0.19 0.00 -1.87 0.00 0.00 60.65 58.92 1wf9 h LYS 34 Cb 0.67 0.10 -0.16 0.00 0.08 0.00 0.00 32.23 32.91 1wf9 h LYS 34 CO 0.14 -0.29 -0.14 2.41 -0.57 0.00 0.00 179.45 181.00 1wf9 n THR 35 N -3.91 -0.36 -0.00 -0.16 -1.04 -0.94 0.22 114.28 108.09 1wf9 n THR 35 Ca -0.05 1.94 -0.10 0.00 -2.04 0.00 0.00 64.05 63.80 1wf9 n THR 35 Cb 0.22 -2.73 -0.03 0.00 -1.82 0.00 0.00 70.33 65.97 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 -0.75 0.06 -4.42 3.38 -0.57 0.88 115.31 113.88 1wf9 h LEU 36 Ca 0.45 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.54 1wf9 h LEU 36 Cb 0.77 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1wf9 h LEU 36 CO -0.86 -0.29 -0.03 0.40 0.09 0.00 0.00 178.44 177.75 1wf9 h ILE 37 N -0.31 1.17 -1.06 1.22 5.03 0.23 0.33 117.51 124.13 1wf9 h ILE 37 Ca 0.10 -0.81 0.31 0.00 -0.12 0.00 0.00 64.86 64.34 1wf9 h ILE 37 Cb 0.46 1.69 -0.04 0.00 -3.03 0.00 0.00 36.82 35.90 1wf9 h ILE 37 CO -0.31 0.20 0.97 -0.61 -0.68 0.00 0.00 178.15 177.72 1wf9 h GLN 38 N -0.45 0.00 0.00 2.37 -0.00 0.31 1.81 115.11 119.16 1wf9 h GLN 38 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1wf9 h GLN 38 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.87 1wf9 h GLN 38 CO 0.01 0.00 -0.58 -3.47 0.00 0.00 0.00 178.83 174.80 1wf9 n ASP 39 N -3.70 1.61 0.09 -0.69 2.03 0.26 0.16 116.55 116.32 1wf9 n ASP 39 Ca 0.23 0.50 -0.13 0.00 0.52 0.00 0.00 54.79 55.91 1wf9 n ASP 39 Cb 1.31 -0.79 -0.06 0.00 -0.72 0.00 0.00 41.12 40.86 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 -0.87 -0.53 0.00 -0.67 4.20 0.73 -0.22 115.11 117.75 1wf9 h GLN 40 Ca 0.00 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1wf9 h GLN 40 Cb 0.58 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1wf9 h GLN 40 CO 0.00 -0.35 0.00 -0.07 -0.67 0.00 0.00 178.83 177.74 1wf9 h LEU 41 N -0.55 0.00 -2.41 1.46 3.38 0.25 -3.48 115.31 113.97 1wf9 h LEU 41 Ca 0.04 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.77 1wf9 h LEU 41 Cb 0.60 0.00 0.18 0.00 0.09 0.00 0.00 40.66 41.53 1wf9 h LEU 41 CO -0.24 0.00 -0.78 0.00 0.09 0.00 0.00 178.44 177.51 1wf9 n GLN 42 N -2.63 -2.49 -4.16 1.13 1.13 -0.10 -4.65 117.38 105.61 1wf9 n GLN 42 Ca 0.04 0.80 -0.15 0.00 -1.94 0.00 0.00 57.00 55.74 1wf9 n GLN 42 Cb 0.39 -5.49 -0.14 0.00 0.11 0.00 0.00 30.24 25.11 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 -3.35 0.50 -0.09 5.09 1.01 0.12 0.32 121.20 124.79 1wf9 s ILE 43 Ca 0.38 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.24 1wf9 s ILE 43 Cb -0.05 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 1wf9 s ILE 43 CO 0.68 -0.01 1.24 -2.16 0.00 0.00 0.00 174.94 174.69 1wf9 s PRO 44 N -0.55 4.30 0.27 2.79 0.04 -1.26 -3.93 135.00 136.65 1wf9 s PRO 44 Ca -0.01 1.69 -0.00 0.00 0.04 0.00 0.00 61.00 62.72 1wf9 s PRO 44 Cb -0.04 -3.64 0.58 0.00 0.04 0.00 0.00 34.50 31.44 1wf9 s PRO 44 CO 0.00 -0.55 1.72 0.82 0.04 0.00 0.00 177.00 179.03 1wf9 h ILE 45 N 5.19 0.59 -0.24 0.56 2.04 -1.92 1.17 117.51 124.89 1wf9 h ILE 45 Ca -0.31 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.46 1wf9 h ILE 45 Cb 1.14 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1wf9 h ILE 45 CO 0.92 0.08 0.60 1.12 0.00 0.00 0.00 178.15 180.87 1wf9 h HIS 46 N 0.46 0.00 0.00 1.37 2.07 -1.99 0.37 115.15 117.42 1wf9 h HIS 46 Ca 0.48 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.70 1wf9 h HIS 46 Cb 0.81 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.74 1wf9 h HIS 46 CO -0.15 0.00 -2.14 0.09 -3.07 0.00 0.00 177.93 172.67 1wf9 n ASN 47 N -3.09 1.85 -4.77 3.10 3.02 0.36 -4.98 115.26 110.76 1wf9 n ASN 47 Ca 0.04 -0.06 -0.41 0.00 -0.03 0.00 0.00 54.58 54.12 1wf9 n ASN 47 Cb 0.71 0.18 -0.01 0.00 -0.61 0.00 0.00 39.78 40.05 1wf9 n ASN 47 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1wf9 s GLN 48 N -2.40 4.16 -0.27 3.52 -0.21 0.13 -3.72 119.66 120.86 1wf9 s GLN 48 Ca -0.19 2.50 -0.02 0.00 0.02 0.00 0.00 55.36 57.66 1wf9 s GLN 48 Cb 0.06 -3.00 0.09 0.00 1.00 0.00 0.00 33.01 31.17 1wf9 s GLN 48 CO 0.55 -0.48 0.09 0.99 -2.12 0.00 0.00 175.29 174.32 1wf9 s THR 49 N -0.99 0.46 0.16 -0.19 2.01 0.49 -4.85 115.64 112.73 1wf9 s THR 49 Ca 0.53 -0.96 -0.23 0.00 0.31 0.00 0.00 61.69 61.34 1wf9 s THR 49 Cb -0.45 -1.26 -0.08 0.00 0.01 0.00 0.00 72.50 70.72 1wf9 s THR 49 CO 0.59 -0.58 0.72 -0.76 -0.69 0.00 0.00 174.62 173.91 1wf9 s LEU 50 N 1.85 4.53 0.30 4.42 1.43 -1.26 -2.40 118.68 127.54 1wf9 s LEU 50 Ca 0.07 1.52 -0.20 0.00 -1.03 0.00 0.00 54.13 54.49 1wf9 s LEU 50 Cb -0.17 -3.28 0.03 0.00 0.03 0.00 0.00 46.19 42.80 1wf9 s LEU 50 CO -0.25 0.18 0.72 -0.55 0.23 0.00 0.00 176.35 176.69 1wf9 s SER 51 N -1.25 -0.20 -0.27 2.29 0.15 -1.12 -4.07 113.70 109.22 1wf9 s SER 51 Ca 0.36 -0.72 0.08 0.00 0.70 0.00 0.00 55.95 56.37 1wf9 s SER 51 Cb -0.21 0.75 0.45 0.00 -1.71 0.00 0.00 66.02 65.29 1wf9 s SER 51 CO 0.24 -1.40 1.25 0.35 1.20 0.00 0.00 173.24 174.87 1wf9 n THR 52 N -0.47 2.44 -3.63 6.45 -2.24 -1.26 -3.08 114.28 112.49 1wf9 n THR 52 Ca -0.05 -3.67 -0.18 0.00 -2.27 0.00 0.00 64.05 57.89 1wf9 n THR 52 Cb 0.59 -0.71 -0.15 0.00 -2.10 0.00 0.00 70.33 67.96 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 -3.32 0.96 0.66 3.42 3.84 -1.26 -4.99 114.94 114.25 1wf9 s ASN 53 Ca 0.46 0.18 0.28 0.00 0.21 0.00 0.00 52.86 53.98 1wf9 s ASN 53 Cb 0.40 0.28 1.49 0.00 -0.55 0.00 0.00 41.25 42.87 1wf9 s ASN 53 CO -0.01 -0.27 1.84 0.08 -2.79 0.00 0.00 177.10 175.96 1wf9 h ARG 54 N 8.36 0.00 0.00 0.43 -0.00 -1.99 0.80 114.38 121.98 1wf9 h ARG 54 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.84 1wf9 h ARG 54 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.10 1wf9 h ARG 54 CO 0.18 0.00 0.00 0.09 -0.00 0.00 0.00 179.97 180.24 1wf9 n ASN 55 N -2.91 0.48 0.22 0.08 3.02 -1.26 -1.02 115.26 113.87 1wf9 n ASN 55 Ca -0.01 0.69 0.05 0.00 -0.03 0.00 0.00 54.58 55.28 1wf9 n ASN 55 Cb 0.45 -0.76 0.50 0.00 -0.61 0.00 0.00 39.78 39.35 1wf9 n ASN 55 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1wf9 h LEU 56 N 0.00 0.00 -0.27 3.41 5.85 0.24 0.11 115.31 124.65 1wf9 h LEU 56 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wf9 h LEU 56 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1wf9 h LEU 56 CO 0.00 0.20 0.00 0.18 -0.34 0.00 0.00 178.44 178.48 1wf9 n LEU 57 N -4.28 0.43 0.05 2.25 4.77 -0.19 -2.72 117.00 117.31 1wf9 n LEU 57 Ca -0.02 0.58 -0.21 0.00 -0.03 0.00 0.00 56.01 56.33 1wf9 n LEU 57 Cb 0.26 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 40.71 1wf9 n LEU 57 CO 0.36 -0.32 -0.09 -0.07 -1.33 0.00 0.00 177.39 175.95 1wf9 h LEU 58 N 0.00 0.49 -9.21 2.23 3.38 -0.92 -3.45 115.31 107.84 1wf9 h LEU 58 Ca 0.00 -0.93 -0.68 0.00 0.09 0.00 0.00 57.88 56.36 1wf9 h LEU 58 Cb 0.43 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.04 1wf9 h LEU 58 CO 0.00 1.48 0.98 0.00 0.09 0.00 0.00 178.44 180.98 1wf9 n ALA 59 N -2.74 0.26 -0.05 1.53 0.00 -1.10 -4.80 120.51 113.60 1wf9 n ALA 59 Ca -0.17 0.35 -0.05 0.00 0.00 0.00 0.00 53.44 53.58 1wf9 n ALA 59 Cb 0.87 -2.34 -0.07 0.00 0.00 0.00 0.00 19.45 17.91 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 5.83 2.45 -2.57 0.00 5.02 -1.26 -4.90 118.16 122.73 1wf9 n LYS 60 Ca 0.25 -0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.31 1wf9 n LYS 60 Cb 0.20 -1.24 0.05 0.00 -0.02 0.00 0.00 35.03 34.02 1wf9 n LYS 60 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1wf9 s SER 61 N -4.15 5.04 -0.01 4.39 0.01 -1.26 -5.03 113.70 112.70 1wf9 s SER 61 Ca -0.05 -0.02 -0.21 0.00 1.31 0.00 0.00 55.95 56.98 1wf9 s SER 61 Cb 0.03 -0.74 -0.22 0.00 0.21 0.00 0.00 66.02 65.30 1wf9 s SER 61 CO 0.39 -1.34 1.11 1.55 0.41 0.00 0.00 173.24 175.36 1wf9 h PRO 62 N -0.13 0.33 0.00 12.44 0.13 -2.00 -3.03 132.00 139.75 1wf9 h PRO 62 Ca -0.41 -0.32 -0.01 0.00 -0.87 0.00 0.00 66.00 64.38 1wf9 h PRO 62 Cb 1.29 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.51 1wf9 h PRO 62 CO 0.51 1.00 -0.05 1.03 -0.23 0.00 0.00 178.00 180.25 1wf9 h SER 63 N -0.21 0.00 -0.20 1.44 0.87 -1.99 -1.72 113.55 111.74 1wf9 h SER 63 Ca -0.05 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 1wf9 h SER 63 Cb 1.12 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 1wf9 h SER 63 CO 0.08 0.05 -0.00 -0.78 -0.53 0.00 0.00 176.83 175.65 1wf9 h ASP 64 N 0.00 0.34 0.35 6.23 3.58 -1.95 -2.37 116.42 122.60 1wf9 h ASP 64 Ca -0.00 -0.31 -0.00 0.00 0.42 0.00 0.00 57.03 57.14 1wf9 h ASP 64 Cb 0.10 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 1wf9 h ASP 64 CO 0.01 0.57 -0.01 -0.26 -2.88 0.00 0.00 179.24 176.67 1wf9 h PHE 65 N 0.11 0.00 0.00 0.28 0.04 -1.20 0.47 116.94 116.64 1wf9 h PHE 65 Ca 0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1wf9 h PHE 65 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1wf9 h PHE 65 CO 0.04 0.01 0.00 1.28 -0.60 0.00 0.00 178.31 179.04 1wf9 n LEU 66 N -3.17 0.15 0.20 1.54 4.77 -0.89 -1.76 117.00 117.84 1wf9 n LEU 66 Ca -0.02 0.53 0.08 0.00 -0.03 0.00 0.00 56.01 56.58 1wf9 n LEU 66 Cb 0.16 -0.51 0.29 0.00 -2.33 0.00 0.00 43.42 41.03 1wf9 n LEU 66 CO 0.23 -0.28 0.71 0.00 -1.33 0.00 0.00 177.39 176.73 1wf9 h ALA 67 N 2.51 0.91 -2.38 -1.18 0.00 -0.92 -3.39 119.26 114.80 1wf9 h ALA 67 Ca 0.00 -0.24 -0.74 0.00 0.00 0.00 0.00 54.91 53.93 1wf9 h ALA 67 Cb 0.32 -0.04 -0.26 0.00 0.00 0.00 0.00 17.79 17.81 1wf9 h ALA 67 CO 0.00 0.33 -0.32 -0.06 0.00 0.00 0.00 179.25 179.19 1wf9 s PHE 68 N -3.37 3.31 -0.50 0.00 0.40 -0.73 -4.94 117.98 112.16 1wf9 s PHE 68 Ca 0.03 -1.42 0.08 0.00 -0.60 0.00 0.00 56.93 55.02 1wf9 s PHE 68 Cb 0.08 -3.48 0.33 0.00 0.51 0.00 0.00 43.02 40.47 1wf9 s PHE 68 CO 0.67 -0.95 0.82 0.25 0.70 0.00 0.00 175.22 176.72 1wf9 n THR 69 N 5.10 1.62 -0.07 0.64 -2.24 -1.26 -4.78 114.28 113.28 1wf9 n THR 69 Ca -0.11 -5.09 -0.09 0.00 -2.27 0.00 0.00 64.05 56.48 1wf9 n THR 69 Cb 0.41 -1.12 -0.06 0.00 -2.10 0.00 0.00 70.33 67.47 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 0.16 2.91 -0.94 3.42 8.00 -1.26 -4.62 116.55 124.23 1wf9 n ASP 70 Ca 0.28 -0.06 0.03 0.00 0.71 0.00 0.00 54.79 55.75 1wf9 n ASP 70 Cb 0.50 -0.21 0.22 0.00 -0.02 0.00 0.00 41.12 41.60 1wf9 n ASP 70 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1wf9 n MET 71 N -2.91 2.27 0.17 -1.24 2.81 -1.26 -4.51 117.12 112.44 1wf9 n MET 71 Ca -0.24 -2.97 0.05 0.00 -1.81 0.00 0.00 57.70 52.73 1wf9 n MET 71 Cb 0.75 -1.80 0.13 0.00 -0.71 0.00 0.00 33.22 31.59 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 1.26 0.79 -2.09 3.04 0.00 -1.82 -3.44 119.26 117.01 1wf9 h ALA 72 Ca 0.10 -0.35 -0.57 0.00 0.00 0.00 0.00 54.91 54.09 1wf9 h ALA 72 Cb 1.50 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 1wf9 h ALA 72 CO 0.28 0.48 0.85 0.34 0.00 0.00 0.00 179.25 181.19 1wf9 s ASP 73 N -6.38 7.02 0.35 0.00 2.15 -1.26 -4.90 116.67 113.65 1wf9 s ASP 73 Ca 0.04 1.45 0.18 0.00 0.43 0.00 0.00 52.55 54.65 1wf9 s ASP 73 Cb 0.08 -2.54 0.49 0.00 -0.30 0.00 0.00 42.92 40.64 1wf9 s ASP 73 CO 0.71 -0.74 1.64 1.55 -0.17 0.00 0.00 175.17 178.17 1wf9 h PRO 74 N 7.83 0.00 -0.06 4.34 0.13 -1.93 -2.59 132.00 139.71 1wf9 h PRO 74 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1wf9 h PRO 74 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1wf9 h PRO 74 CO 0.98 0.40 0.00 0.09 -0.23 0.00 0.00 178.00 179.25 1wf9 n ASN 75 N -3.39 0.75 -4.80 1.44 3.02 -1.26 -2.64 115.26 108.38 1wf9 n ASN 75 Ca 0.01 -1.49 -0.39 0.00 -0.03 0.00 0.00 54.58 52.67 1wf9 n ASN 75 Cb 0.58 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.65 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 -1.65 4.54 0.03 3.41 2.96 -0.98 -4.94 118.68 122.06 1wf9 s LEU 76 Ca 0.32 1.36 -0.03 0.00 -0.22 0.00 0.00 54.13 55.57 1wf9 s LEU 76 Cb 0.16 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 1wf9 s LEU 76 CO 0.26 0.26 0.22 -0.13 -1.32 0.00 0.00 176.35 175.63 1wf9 s ARG 77 N -1.11 3.48 0.33 1.98 0.52 -1.26 0.10 118.95 122.98 1wf9 s ARG 77 Ca 0.31 -0.30 0.23 0.00 -0.52 0.00 0.00 55.73 55.44 1wf9 s ARG 77 Cb -0.20 -3.06 1.19 0.00 0.52 0.00 0.00 34.95 33.40 1wf9 s ARG 77 CO 0.21 0.64 1.70 -0.84 0.02 0.00 0.00 175.30 177.02 1wf9 h ILE 78 N 2.57 0.00 -0.00 1.52 3.07 -1.75 0.31 117.51 123.23 1wf9 h ILE 78 Ca -0.48 -0.04 -0.08 0.00 1.55 0.00 0.00 64.86 65.81 1wf9 h ILE 78 Cb 1.18 0.58 -0.01 0.00 -0.27 0.00 0.00 36.82 38.30 1wf9 h ILE 78 CO 0.71 0.00 -0.40 0.77 -1.05 0.00 0.00 178.15 178.18 1wf9 h SER 79 N 0.00 0.00 -0.09 2.16 4.64 -1.87 0.11 113.55 118.51 1wf9 h SER 79 Ca 0.00 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1wf9 h SER 79 Cb 0.06 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1wf9 h SER 79 CO 0.00 0.40 0.03 -1.28 -0.87 0.00 0.00 176.83 175.11 1wf9 h SER 80 N 0.00 0.16 -0.01 4.97 0.87 -1.33 -0.66 113.55 117.57 1wf9 h SER 80 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1wf9 h SER 80 Cb 0.71 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1wf9 h SER 80 CO 0.05 0.18 -0.77 0.18 -0.53 0.00 0.00 176.83 175.94 1wf9 n LEU 81 N -4.45 1.35 -2.74 2.23 4.77 -0.88 -5.01 117.00 112.28 1wf9 n LEU 81 Ca -0.01 -0.60 -0.01 0.00 -0.03 0.00 0.00 56.01 55.36 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 0.35 0.29 0.25 -3.20 -1.33 0.00 0.00 177.39 173.75 1wf9 n ASN 82 N -0.92 -6.71 -4.37 -1.43 2.85 0.29 -5.02 115.26 99.95 1wf9 n ASN 82 Ca 0.06 0.01 -0.34 0.00 -0.11 0.00 0.00 54.58 54.20 1wf9 n ASN 82 Cb 0.37 -4.50 -0.14 0.00 1.24 0.00 0.00 39.78 36.75 1wf9 n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1wf9 s LEU 83 N -3.43 2.89 0.25 1.20 1.43 -0.68 -4.99 118.68 115.36 1wf9 s LEU 83 Ca 0.03 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1wf9 s LEU 83 Cb -0.01 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1wf9 s LEU 83 CO 0.61 0.09 0.14 0.00 0.23 0.00 0.00 176.35 177.41 1wf9 s ALA 84 N 0.84 1.60 -0.77 4.21 0.00 -1.26 -4.78 121.76 121.59 1wf9 s ALA 84 Ca -0.02 -1.79 -0.24 0.00 0.00 0.00 0.00 51.96 49.91 1wf9 s ALA 84 Cb -0.15 1.24 -0.17 0.00 0.00 0.00 0.00 23.12 24.04 1wf9 s ALA 84 CO 0.01 -0.54 2.42 1.58 0.00 0.00 0.00 175.76 179.23 1wf9 n HIS 85 N -0.44 0.93 0.00 0.00 -0.00 -1.26 0.98 115.22 115.44 1wf9 n HIS 85 Ca 0.02 0.10 0.00 0.00 0.46 0.00 0.00 57.72 58.29 1wf9 n HIS 85 Cb 0.65 -2.20 0.00 0.00 -0.12 0.00 0.00 29.99 28.33 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 6.27 0.96 3.42 1.57 0.00 -1.17 -4.94 105.19 111.30 1wf9 n GLY 86 Ca 0.51 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.24 1wf9 n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wf9 s SER 87 N -0.46 0.07 0.05 1.61 0.15 0.28 -4.85 113.70 110.55 1wf9 s SER 87 Ca 0.00 1.09 0.07 0.00 0.70 0.00 0.00 55.95 57.81 1wf9 s SER 87 Cb 0.00 -1.63 -0.03 0.00 -1.71 0.00 0.00 66.02 62.66 1wf9 s SER 87 CO 0.00 -4.70 -0.19 -0.32 1.20 0.00 0.00 173.24 169.23 1wf9 s MET 88 N -4.86 1.24 0.08 5.44 -2.45 -1.26 -3.21 119.30 114.27 1wf9 s MET 88 Ca 0.69 -0.93 -0.15 0.00 -1.25 0.00 0.00 55.69 54.05 1wf9 s MET 88 Cb -0.18 -1.35 0.03 0.00 1.25 0.00 0.00 34.83 34.58 1wf9 s MET 88 CO 0.60 0.34 0.36 0.54 1.05 0.00 0.00 175.02 177.91 1wf9 s VAL 89 N -0.86 0.08 -0.05 10.11 0.11 0.04 -4.97 120.40 124.85 1wf9 s VAL 89 Ca 0.06 -0.64 0.04 0.00 -2.93 0.00 0.00 61.98 58.51 1wf9 s VAL 89 Cb -0.09 -1.08 -0.00 0.00 -1.53 0.00 0.00 36.38 33.68 1wf9 s VAL 89 CO 0.02 -0.35 -0.19 -0.31 -3.33 0.00 0.00 175.10 170.94 1wf9 s TYR 90 N -3.18 1.89 0.23 1.54 2.02 -1.18 0.17 117.35 118.84 1wf9 s TYR 90 Ca -0.01 -0.59 0.07 0.00 -0.37 0.00 0.00 57.07 56.17 1wf9 s TYR 90 Cb 0.01 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 1wf9 s TYR 90 CO -0.07 -0.21 0.16 -1.17 -1.57 0.00 0.00 175.55 172.68 1wf9 s LEU 91 N 0.11 3.75 -0.23 -1.29 2.96 0.53 -2.81 118.68 121.69 1wf9 s LEU 91 Ca -0.07 -0.26 -0.08 0.00 -0.22 0.00 0.00 54.13 53.50 1wf9 s LEU 91 Cb -0.13 -2.30 0.10 0.00 0.50 0.00 0.00 46.19 44.37 1wf9 s LEU 91 CO 0.03 -0.01 0.49 0.00 -1.32 0.00 0.00 176.35 175.55 1wf9 s ALA 92 N -2.06 -1.45 0.01 5.97 0.00 -1.01 -4.51 121.76 118.72 1wf9 s ALA 92 Ca 0.32 1.78 -0.04 0.00 0.00 0.00 0.00 51.96 54.01 1wf9 s ALA 92 Cb -0.08 -1.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 1wf9 s ALA 92 CO 0.24 -0.81 0.07 1.52 0.00 0.00 0.00 175.76 176.78 1wf9 s TYR 93 N 2.71 0.14 -0.09 0.00 1.13 -1.24 0.18 117.35 120.18 1wf9 s TYR 93 Ca -0.03 -0.32 -0.13 0.00 -1.41 0.00 0.00 57.07 55.18 1wf9 s TYR 93 Cb -0.12 -0.11 -0.05 0.00 -1.10 0.00 0.00 41.96 40.58 1wf9 s TYR 93 CO -0.15 -0.26 0.32 -2.00 -2.51 0.00 0.00 175.55 170.95 1wf9 s GLU 94 N -1.53 3.97 0.04 -3.49 2.12 -1.26 -4.95 118.70 113.61 1wf9 s GLU 94 Ca -0.14 0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.37 1wf9 s GLU 94 Cb -0.08 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.01 1wf9 s GLU 94 CO 0.00 0.51 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 1wf9 n GLY 95 N 2.52 -1.55 0.91 -1.50 0.00 -1.26 -4.95 105.19 99.35 1wf9 n GLY 95 Ca -0.14 -1.48 -0.07 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.77 -1.15 -2.26 1.61 1.02 -1.26 -5.06 120.64 111.76 1wf9 n GLU 96 Ca -0.00 -0.46 -0.26 0.00 -0.02 0.00 0.00 57.16 56.41 1wf9 n GLU 96 Cb 0.07 -0.39 0.13 0.00 -0.02 0.00 0.00 31.44 31.23 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 -3.66 1.42 0.00 3.49 0.52 -1.26 -4.96 118.95 114.50 1wf9 s ARG 97 Ca 0.18 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 1wf9 s ARG 97 Cb -0.01 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 33.34 1wf9 s ARG 97 CO 0.14 -1.75 0.00 0.25 0.02 0.00 0.00 175.30 173.95 1wf9 n THR 98 N -3.19 0.00 -2.93 0.02 -2.24 0.15 -5.02 114.28 101.07 1wf9 n THR 98 Ca 0.14 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.55 1wf9 n THR 98 Cb 0.60 -1.31 -0.06 0.00 -2.10 0.00 0.00 70.33 67.46 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 0.52 4.39 0.64 2.28 1.01 -1.26 -4.95 121.20 123.83 1wf9 s ILE 99 Ca 0.00 1.54 -0.13 0.00 0.00 0.00 0.00 60.65 62.06 1wf9 s ILE 99 Cb 0.00 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 1wf9 s ILE 99 CO 0.00 0.12 1.06 -0.13 0.00 0.00 0.00 174.94 175.98 1wf9 s ARG 100 N -2.15 3.15 -0.15 2.79 0.52 -1.26 -4.99 118.95 116.85 1wf9 s ARG 100 Ca 0.48 1.06 -0.06 0.00 -0.52 0.00 0.00 55.73 56.69 1wf9 s ARG 100 Cb -0.17 -2.01 0.07 0.00 0.52 0.00 0.00 34.95 33.36 1wf9 s ARG 100 CO 0.21 -0.94 0.32 0.20 0.02 0.00 0.00 175.30 175.12 1wf9 s GLY 101 N -3.34 -0.21 -0.00 -3.53 0.00 -1.26 -5.06 107.32 93.93 1wf9 s GLY 101 Ca 0.60 1.15 -0.23 0.00 0.00 0.00 0.00 44.72 46.25 1wf9 s GLY 101 CO 0.46 2.01 0.98 1.76 0.00 0.00 0.00 173.10 178.31 1wf9 h SER 102 N 8.07 -0.61 -5.06 1.64 0.02 -2.03 -3.49 113.55 112.09 1wf9 h SER 102 Ca -0.19 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1wf9 h SER 102 Cb 1.12 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1wf9 h SER 102 CO 0.16 -0.21 -0.80 0.61 -1.14 0.00 0.00 176.83 175.45 1wf9 n GLY 103 N -0.24 -3.38 3.79 -3.77 0.00 -1.26 -4.97 105.19 95.36 1wf9 n GLY 103 Ca -0.10 0.65 -0.35 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.83 3.96 -0.21 1.61 0.04 -1.26 -5.06 135.00 132.26 1wf9 s PRO 104 Ca 0.07 1.43 -0.28 0.00 0.04 0.00 0.00 61.00 62.27 1wf9 s PRO 104 Cb -0.02 -2.29 0.11 0.00 0.04 0.00 0.00 34.50 32.33 1wf9 s PRO 104 CO 0.74 -0.31 0.92 0.45 0.04 0.00 0.00 177.00 178.84 1wf9 s SER 105 N -1.79 -0.50 -0.27 6.66 0.15 -1.26 -5.13 113.70 111.56 1wf9 s SER 105 Ca 0.63 0.79 -0.29 0.00 0.70 0.00 0.00 55.95 57.78 1wf9 s SER 105 Cb -0.19 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1wf9 s SER 105 CO 0.23 -0.30 1.20 -0.94 1.20 0.00 0.00 173.24 174.64 1wf9 s SER 106 N -0.38 6.85 0.00 5.45 1.04 -1.26 -5.24 113.70 120.15 1wf9 s SER 106 Ca -0.01 1.28 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1wf9 s SER 106 Cb -0.03 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1wf9 s SER 106 CO -0.00 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.91