#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 4.58 -1.10 1.61 0.15 -1.26 -3.25 113.70 114.43 1wf9 s SER 2 Ca 0.00 -2.32 -0.08 0.00 0.70 0.00 0.00 55.95 54.25 1wf9 s SER 2 Cb 0.00 -1.55 0.28 0.00 -1.71 0.00 0.00 66.02 63.04 1wf9 s SER 2 CO 0.00 -0.35 1.15 -1.20 1.20 0.00 0.00 173.24 174.05 1wf9 n SER 3 N 4.03 5.58 -3.33 5.45 7.64 -1.26 -4.86 113.62 126.86 1wf9 n SER 3 Ca 0.04 -3.10 -0.26 0.00 1.01 0.00 0.00 58.87 56.56 1wf9 n SER 3 Cb 0.40 -1.34 -0.08 0.00 -1.01 0.00 0.00 64.21 62.18 1wf9 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wf9 n GLY 4 N 2.43 3.74 3.76 0.23 0.00 -1.26 -5.10 105.19 109.00 1wf9 n GLY 4 Ca 0.24 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 1wf9 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wf9 s SER 5 N -1.71 6.72 -0.54 1.61 1.04 -1.26 -4.88 113.70 114.68 1wf9 s SER 5 Ca 0.37 2.68 -0.26 0.00 0.48 0.00 0.00 55.95 59.21 1wf9 s SER 5 Cb 0.15 -2.64 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 1wf9 s SER 5 CO -0.07 -0.60 2.09 -0.55 0.98 0.00 0.00 173.24 175.09 1wf9 s SER 6 N -0.14 4.96 0.00 7.02 0.15 -1.26 -4.80 113.70 119.64 1wf9 s SER 6 Ca 0.53 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.92 1wf9 s SER 6 Cb -0.40 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.39 1wf9 s SER 6 CO 0.49 -2.54 0.00 0.61 1.20 0.00 0.00 173.24 173.00 1wf9 n GLY 7 N 5.81 2.17 3.57 9.45 0.00 -1.26 -5.12 105.19 119.80 1wf9 n GLY 7 Ca 0.27 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 2.82 3.90 0.07 2.61 2.01 -1.01 -4.99 115.64 121.05 1wf9 s THR 8 Ca 0.00 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 61.67 1wf9 s THR 8 Cb 0.00 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1wf9 s THR 8 CO 0.00 0.56 -0.07 -0.32 -0.69 0.00 0.00 174.62 174.10 1wf9 s MET 9 N -0.40 2.32 0.06 4.92 1.75 -1.26 0.18 119.30 126.86 1wf9 s MET 9 Ca 0.06 -0.91 0.06 0.00 -1.25 0.00 0.00 55.69 53.65 1wf9 s MET 9 Cb -0.12 -2.40 -0.03 0.00 2.84 0.00 0.00 34.83 35.12 1wf9 s MET 9 CO 0.02 0.54 -0.15 -0.51 -0.65 0.00 0.00 175.02 174.27 1wf9 s LEU 10 N -2.01 2.22 -0.47 4.11 1.43 0.86 -3.66 118.68 121.16 1wf9 s LEU 10 Ca 0.21 -0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 52.67 1wf9 s LEU 10 Cb -0.11 -0.64 0.11 0.00 0.03 0.00 0.00 46.19 45.58 1wf9 s LEU 10 CO 0.13 0.01 0.34 -0.13 0.23 0.00 0.00 176.35 176.93 1wf9 s ARG 11 N -1.44 2.54 0.34 1.70 0.52 -1.23 -1.20 118.95 120.19 1wf9 s ARG 11 Ca 0.01 -1.69 -0.06 0.00 -0.52 0.00 0.00 55.73 53.47 1wf9 s ARG 11 Cb -0.09 -3.93 -0.05 0.00 0.52 0.00 0.00 34.95 31.40 1wf9 s ARG 11 CO 0.02 -1.15 0.63 0.14 0.02 0.00 0.00 175.30 174.96 1wf9 s VAL 12 N 1.39 4.96 -0.13 3.52 -7.23 0.50 -1.08 120.40 122.33 1wf9 s VAL 12 Ca 0.05 0.16 0.02 0.00 -1.81 0.00 0.00 61.98 60.40 1wf9 s VAL 12 Cb -0.26 -3.76 0.01 0.00 0.56 0.00 0.00 36.38 32.94 1wf9 s VAL 12 CO 0.00 -0.45 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.57 1wf9 s ARG 13 N -3.82 2.57 0.15 4.82 6.06 0.43 0.56 118.95 129.72 1wf9 s ARG 13 Ca 0.46 -0.68 0.11 0.00 -2.50 0.00 0.00 55.73 53.11 1wf9 s ARG 13 Cb -0.10 -2.16 -0.04 0.00 0.06 0.00 0.00 34.95 32.70 1wf9 s ARG 13 CO 0.32 -0.08 -0.24 -1.54 -2.50 0.00 0.00 175.30 171.27 1wf9 s SER 14 N 1.02 3.50 0.37 -2.12 1.04 0.35 0.19 113.70 118.04 1wf9 s SER 14 Ca -0.04 -0.73 0.20 0.00 0.48 0.00 0.00 55.95 55.85 1wf9 s SER 14 Cb -0.15 -0.32 1.27 0.00 0.10 0.00 0.00 66.02 66.93 1wf9 s SER 14 CO -0.04 0.16 1.61 0.08 0.98 0.00 0.00 173.24 176.03 1wf9 h ARG 15 N 3.63 0.11 0.00 4.02 0.11 -1.88 1.04 114.38 121.42 1wf9 h ARG 15 Ca -0.49 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 59.58 1wf9 h ARG 15 Cb 1.18 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.24 1wf9 h ARG 15 CO 0.43 0.08 -0.00 0.22 0.10 0.00 0.00 179.97 180.80 1wf9 h ASP 16 N 0.12 -0.00 0.00 0.08 1.82 -1.97 -3.49 116.42 112.98 1wf9 h ASP 16 Ca 0.81 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 57.32 1wf9 h ASP 16 Cb 2.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.10 1wf9 h ASP 16 CO -0.68 0.12 0.00 0.61 -1.61 0.00 0.00 179.24 177.68 1wf9 n GLY 17 N -0.75 1.00 3.04 -0.78 0.00 0.36 -5.15 105.19 102.92 1wf9 n GLY 17 Ca -0.07 0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 1.72 0.23 0.99 2.96 -1.26 0.13 118.68 123.45 1wf9 s LEU 18 Ca 0.00 -0.30 0.09 0.00 -0.22 0.00 0.00 54.13 53.70 1wf9 s LEU 18 Cb 0.00 -0.83 -0.05 0.00 0.50 0.00 0.00 46.19 45.81 1wf9 s LEU 18 CO 0.00 0.06 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.31 1wf9 s GLU 19 N 0.49 1.46 0.08 1.98 2.02 0.19 -4.92 118.70 120.00 1wf9 s GLU 19 Ca -0.11 -1.65 0.08 0.00 0.02 0.00 0.00 54.97 53.31 1wf9 s GLU 19 Cb -0.14 -1.38 -0.03 0.00 0.10 0.00 0.00 34.13 32.68 1wf9 s GLU 19 CO 0.03 0.24 -0.22 -0.98 0.02 0.00 0.00 175.26 174.36 1wf9 s ARG 20 N -3.54 1.29 0.04 1.61 1.70 -1.26 0.19 118.95 118.98 1wf9 s ARG 20 Ca 0.25 -1.10 -0.02 0.00 -0.47 0.00 0.00 55.73 54.39 1wf9 s ARG 20 Cb -0.03 -1.53 -0.03 0.00 -0.57 0.00 0.00 34.95 32.80 1wf9 s ARG 20 CO 0.10 0.37 0.00 0.08 -1.08 0.00 0.00 175.30 174.77 1wf9 s VAL 21 N -1.00 0.16 -0.18 4.99 1.01 -0.34 -4.94 120.40 120.10 1wf9 s VAL 21 Ca 0.08 -1.30 -0.09 0.00 0.00 0.00 0.00 61.98 60.67 1wf9 s VAL 21 Cb -0.10 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1wf9 s VAL 21 CO 0.03 -0.72 0.11 -0.55 0.00 0.00 0.00 175.10 173.98 1wf9 s SER 22 N -2.20 6.05 0.00 3.32 0.15 -1.26 -0.10 113.70 119.66 1wf9 s SER 22 Ca -0.04 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1wf9 s SER 22 Cb -0.01 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1wf9 s SER 22 CO -0.05 0.22 0.00 1.33 1.20 0.00 0.00 173.24 175.94 1wf9 n VAL 23 N 3.22 0.00 -0.03 4.45 0.24 0.46 -4.95 118.33 121.72 1wf9 n VAL 23 Ca -0.17 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.09 1wf9 n VAL 23 Cb 0.53 0.00 -0.01 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 -0.86 1.20 0.00 -1.34 9.92 -1.26 -2.40 116.55 121.81 1wf9 n ASP 24 Ca 0.00 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 1wf9 n ASP 24 Cb 0.00 -0.54 0.00 0.00 -0.64 0.00 0.00 41.12 39.94 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 2.08 -0.64 0.19 0.44 0.00 -1.26 -4.20 105.19 101.80 1wf9 n GLY 25 Ca -0.07 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.46 1wf9 n GLY 25 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf9 h PRO 26 N 0.00 0.00 0.00 1.61 0.13 -1.96 -2.96 132.00 128.82 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 0.31 0.16 1.12 -0.23 0.00 0.00 178.00 179.37 1wf9 h HIS 27 N 0.00 0.00 -2.87 1.56 2.07 -2.01 -3.40 115.15 110.50 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 0.99 0.00 0.05 0.00 2.57 0.00 0.00 27.41 31.02 1wf9 h HIS 27 CO 0.00 0.00 0.00 0.96 -3.07 0.00 0.00 177.93 175.82 1wf9 s ILE 28 N -3.86 3.16 0.31 6.12 -5.25 -1.12 -5.08 121.20 115.47 1wf9 s ILE 28 Ca -0.03 -0.48 0.07 0.00 -0.99 0.00 0.00 60.65 59.22 1wf9 s ILE 28 Cb 0.09 -3.21 -0.06 0.00 2.95 0.00 0.00 42.46 42.23 1wf9 s ILE 28 CO 0.27 -0.16 -0.06 0.42 -1.79 0.00 0.00 174.94 173.62 1wf9 s THR 29 N -2.78 1.82 0.51 8.37 -4.23 -1.26 -3.85 115.64 114.22 1wf9 s THR 29 Ca 0.54 -2.14 0.33 0.00 -1.18 0.00 0.00 61.69 59.24 1wf9 s THR 29 Cb -0.10 -2.56 0.52 0.00 1.34 0.00 0.00 72.50 71.70 1wf9 s THR 29 CO 0.40 -0.24 1.80 0.58 -0.54 0.00 0.00 174.62 176.62 1wf9 h VAL 30 N 2.16 0.43 -0.36 2.29 2.07 -0.30 0.72 116.25 123.26 1wf9 h VAL 30 Ca -0.41 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1wf9 h VAL 30 Cb 1.24 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1wf9 h VAL 30 CO 0.69 0.01 0.23 0.77 0.02 0.00 0.00 177.57 179.29 1wf9 h SER 31 N 0.08 0.42 0.18 0.57 4.64 -1.66 0.40 113.55 118.17 1wf9 h SER 31 Ca 0.57 -0.03 -0.24 0.00 -0.47 0.00 0.00 61.79 61.63 1wf9 h SER 31 Cb 2.10 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 64.09 1wf9 h SER 31 CO -0.07 0.32 -0.96 1.56 -0.87 0.00 0.00 176.83 176.80 1wf9 h GLN 32 N 0.48 0.54 0.57 4.77 4.20 -0.02 -2.41 115.11 123.23 1wf9 h GLN 32 Ca 0.13 -0.56 -0.03 0.00 0.06 0.00 0.00 58.65 58.25 1wf9 h GLN 32 Cb -0.04 0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1wf9 h GLN 32 CO -0.03 1.19 -0.28 1.25 -0.67 0.00 0.00 178.83 180.29 1wf9 h LEU 33 N 0.31 -0.68 0.37 1.46 5.85 -0.21 -1.24 115.31 121.18 1wf9 h LEU 33 Ca -0.09 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1wf9 h LEU 33 Cb 1.60 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 1wf9 h LEU 33 CO 0.18 -0.48 -0.44 0.11 -0.34 0.00 0.00 178.44 177.47 1wf9 h LYS 34 N -0.78 -0.80 -0.94 1.25 1.57 -0.29 -1.76 116.57 114.82 1wf9 h LYS 34 Ca -0.08 0.05 0.26 0.00 -1.87 0.00 0.00 60.65 59.02 1wf9 h LYS 34 Cb 0.60 0.18 -0.18 0.00 0.08 0.00 0.00 32.23 32.92 1wf9 h LYS 34 CO 0.12 -0.53 0.02 2.41 -0.57 0.00 0.00 179.45 180.89 1wf9 n THR 35 N -5.04 -0.40 0.04 -0.16 -1.04 -0.91 0.21 114.28 106.99 1wf9 n THR 35 Ca -0.10 2.07 -0.02 0.00 -2.04 0.00 0.00 64.05 63.96 1wf9 n THR 35 Cb 0.39 -3.02 -0.01 0.00 -1.82 0.00 0.00 70.33 65.86 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 -0.17 -1.35 -4.42 3.38 -0.40 0.84 115.31 113.20 1wf9 h LEU 36 Ca 0.57 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.73 1wf9 h LEU 36 Cb 1.17 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 1wf9 h LEU 36 CO -0.89 -0.08 0.59 0.40 0.09 0.00 0.00 178.44 178.55 1wf9 h ILE 37 N -0.13 0.75 -0.35 1.22 5.03 -0.17 0.70 117.51 124.55 1wf9 h ILE 37 Ca -0.01 -0.20 0.06 0.00 -0.12 0.00 0.00 64.86 64.59 1wf9 h ILE 37 Cb 0.11 0.12 -0.02 0.00 -3.03 0.00 0.00 36.82 34.00 1wf9 h ILE 37 CO -0.01 0.10 0.24 -0.61 -0.68 0.00 0.00 178.15 177.20 1wf9 h GLN 38 N 0.57 0.23 0.00 2.37 -0.00 0.31 1.02 115.11 119.62 1wf9 h GLN 38 Ca 0.48 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 59.10 1wf9 h GLN 38 Cb 0.95 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 28.37 1wf9 h GLN 38 CO -0.22 0.15 -0.49 0.22 0.00 0.00 0.00 178.83 178.50 1wf9 h ASP 39 N 0.24 0.00 -0.01 -0.69 3.58 0.26 1.08 116.42 120.88 1wf9 h ASP 39 Ca 0.16 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.62 1wf9 h ASP 39 Cb 0.31 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.31 1wf9 h ASP 39 CO -0.03 0.76 -0.37 1.56 -2.88 0.00 0.00 179.24 178.28 1wf9 h GLN 40 N -1.00 -0.50 0.00 0.28 4.20 -0.18 0.13 115.11 118.04 1wf9 h GLN 40 Ca -0.01 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1wf9 h GLN 40 Cb 0.49 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1wf9 h GLN 40 CO -0.01 -0.33 0.00 1.28 -0.67 0.00 0.00 178.83 179.10 1wf9 n LEU 41 N -5.43 0.10 -3.48 1.46 4.77 0.35 -4.92 117.00 109.85 1wf9 n LEU 41 Ca -0.05 0.51 -0.19 0.00 -0.03 0.00 0.00 56.01 56.26 1wf9 n LEU 41 Cb 0.35 -0.48 0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1wf9 n LEU 41 CO 0.17 -0.08 0.03 0.00 -1.33 0.00 0.00 177.39 176.19 1wf9 n GLN 42 N -1.60 -4.98 -4.70 3.23 1.13 0.44 -4.70 117.38 106.20 1wf9 n GLN 42 Ca 0.06 0.77 -0.24 0.00 -1.94 0.00 0.00 57.00 55.65 1wf9 n GLN 42 Cb 0.32 -5.57 -0.15 0.00 0.11 0.00 0.00 30.24 24.95 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 -3.46 1.38 0.06 5.09 1.01 0.37 -0.18 121.20 125.47 1wf9 s ILE 43 Ca 0.12 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.59 1wf9 s ILE 43 Cb -0.02 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.22 1wf9 s ILE 43 CO 0.76 0.28 1.17 -2.16 0.00 0.00 0.00 174.94 174.98 1wf9 s PRO 44 N -0.70 4.46 0.14 2.79 0.04 -1.26 -3.93 135.00 136.53 1wf9 s PRO 44 Ca 0.06 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 1wf9 s PRO 44 Cb -0.07 -3.36 -0.06 0.00 0.04 0.00 0.00 34.50 31.05 1wf9 s PRO 44 CO 0.00 -0.21 1.56 0.82 0.04 0.00 0.00 177.00 179.21 1wf9 h ILE 45 N 4.50 0.06 -1.67 0.56 2.04 -1.92 1.41 117.51 122.49 1wf9 h ILE 45 Ca -0.42 0.00 0.48 0.00 1.00 0.00 0.00 64.86 65.93 1wf9 h ILE 45 Cb 1.21 0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 1wf9 h ILE 45 CO 0.80 0.00 1.33 1.12 0.00 0.00 0.00 178.15 181.39 1wf9 h HIS 46 N -0.41 0.00 0.05 1.37 2.07 -2.00 1.24 115.15 117.47 1wf9 h HIS 46 Ca 0.09 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.26 1wf9 h HIS 46 Cb 0.61 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.55 1wf9 h HIS 46 CO -0.63 0.00 -2.02 0.09 -3.07 0.00 0.00 177.93 172.30 1wf9 n ASN 47 N -3.77 2.02 -4.69 3.10 3.02 0.31 -4.92 115.26 110.33 1wf9 n ASN 47 Ca 0.37 0.19 -0.44 0.00 -0.03 0.00 0.00 54.58 54.68 1wf9 n ASN 47 Cb 1.83 -0.78 -0.03 0.00 -0.61 0.00 0.00 39.78 40.19 1wf9 n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wf9 n GLN 48 N -3.74 2.23 -3.66 3.52 6.02 0.43 -3.83 117.38 118.35 1wf9 n GLN 48 Ca -0.38 0.79 -0.30 0.00 -0.01 0.00 0.00 57.00 57.11 1wf9 n GLN 48 Cb 0.94 -2.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.54 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 0.16 0.57 0.07 5.09 2.01 0.54 -4.84 115.64 119.24 1wf9 s THR 49 Ca 0.69 -1.26 -0.23 0.00 0.31 0.00 0.00 61.69 61.20 1wf9 s THR 49 Cb -0.62 -1.44 -0.06 0.00 0.01 0.00 0.00 72.50 70.39 1wf9 s THR 49 CO 0.47 -0.72 0.71 -0.76 -0.69 0.00 0.00 174.62 173.63 1wf9 s LEU 50 N 1.69 4.49 -0.06 4.42 1.43 -1.26 -1.63 118.68 127.76 1wf9 s LEU 50 Ca 0.10 1.42 -0.30 0.00 -1.03 0.00 0.00 54.13 54.32 1wf9 s LEU 50 Cb -0.17 -3.14 0.08 0.00 0.03 0.00 0.00 46.19 42.99 1wf9 s LEU 50 CO -0.27 0.12 0.74 -0.55 0.23 0.00 0.00 176.35 176.62 1wf9 s SER 51 N -0.52 -0.60 -0.38 2.29 0.15 -0.92 -3.94 113.70 109.78 1wf9 s SER 51 Ca 0.35 0.61 0.01 0.00 0.70 0.00 0.00 55.95 57.62 1wf9 s SER 51 Cb -0.21 0.50 0.41 0.00 -1.71 0.00 0.00 66.02 65.01 1wf9 s SER 51 CO 0.22 -0.58 1.79 0.35 1.20 0.00 0.00 173.24 176.23 1wf9 n THR 52 N 0.78 2.79 -4.58 6.45 -2.24 -1.26 -2.37 114.28 113.85 1wf9 n THR 52 Ca -0.17 -1.69 -0.23 0.00 -2.27 0.00 0.00 64.05 59.69 1wf9 n THR 52 Cb 0.58 -0.87 -0.16 0.00 -2.10 0.00 0.00 70.33 67.78 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 -0.65 1.64 0.02 3.42 3.84 -1.26 -5.00 114.94 116.94 1wf9 s ASN 53 Ca 0.42 -0.26 0.24 0.00 0.21 0.00 0.00 52.86 53.47 1wf9 s ASN 53 Cb 0.35 -0.49 1.01 0.00 -0.55 0.00 0.00 41.25 41.56 1wf9 s ASN 53 CO 0.05 0.09 1.76 -2.11 -2.79 0.00 0.00 177.10 174.10 1wf9 n ARG 54 N 3.31 0.02 0.07 0.43 0.00 -1.26 -2.40 116.66 116.83 1wf9 n ARG 54 Ca -0.19 0.11 0.12 0.00 -0.00 0.00 0.00 57.85 57.89 1wf9 n ARG 54 Cb 0.53 -1.53 0.46 0.00 -0.00 0.00 0.00 32.46 31.93 1wf9 n ARG 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1wf9 n ASN 55 N -1.57 0.45 -0.28 2.89 3.02 -1.26 -3.08 115.26 115.43 1wf9 n ASN 55 Ca 0.06 0.57 -0.01 0.00 -0.03 0.00 0.00 54.58 55.16 1wf9 n ASN 55 Cb 0.29 -0.68 0.11 0.00 -0.61 0.00 0.00 39.78 38.89 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 0.78 -1.98 3.41 5.85 -1.87 0.12 115.31 121.62 1wf9 h LEU 56 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1wf9 h LEU 56 Cb 0.51 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1wf9 h LEU 56 CO 0.00 0.52 0.02 -0.07 -0.34 0.00 0.00 178.44 178.57 1wf9 h LEU 57 N 0.92 0.02 0.02 2.25 4.07 -1.78 -1.83 115.31 118.98 1wf9 h LEU 57 Ca 0.33 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.28 1wf9 h LEU 57 Cb 0.09 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1wf9 h LEU 57 CO -0.14 0.02 -0.01 -0.07 -1.08 0.00 0.00 178.44 177.16 1wf9 h LEU 58 N 0.03 -0.02 -9.09 1.67 3.38 -0.94 -3.43 115.31 106.90 1wf9 h LEU 58 Ca 0.01 -0.28 -0.79 0.00 0.09 0.00 0.00 57.88 56.92 1wf9 h LEU 58 Cb 0.01 0.01 0.02 0.00 0.09 0.00 0.00 40.66 40.78 1wf9 h LEU 58 CO -0.00 0.27 0.75 0.00 0.09 0.00 0.00 178.44 179.54 1wf9 n ALA 59 N -2.25 -0.86 -0.04 1.53 0.00 -0.69 -4.80 120.51 113.39 1wf9 n ALA 59 Ca -0.08 0.45 -0.03 0.00 0.00 0.00 0.00 53.44 53.77 1wf9 n ALA 59 Cb 0.16 -2.08 -0.07 0.00 0.00 0.00 0.00 19.45 17.46 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 4.46 2.20 -2.81 0.00 5.02 -1.26 -4.93 118.16 120.84 1wf9 n LYS 60 Ca 0.27 -0.02 -0.19 0.00 -2.02 0.00 0.00 58.31 56.35 1wf9 n LYS 60 Cb 0.06 -1.24 0.03 0.00 -0.02 0.00 0.00 35.03 33.86 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 -4.03 5.43 0.08 4.39 1.04 -1.26 -5.03 113.70 114.31 1wf9 s SER 61 Ca -0.05 -0.22 -0.14 0.00 0.48 0.00 0.00 55.95 56.02 1wf9 s SER 61 Cb 0.03 -0.74 -0.20 0.00 0.10 0.00 0.00 66.02 65.21 1wf9 s SER 61 CO 0.39 -0.98 1.22 1.55 0.98 0.00 0.00 173.24 176.40 1wf9 h PRO 62 N 0.32 0.70 -0.17 4.02 0.13 -2.00 -3.09 132.00 131.91 1wf9 h PRO 62 Ca -0.41 -0.68 -0.03 0.00 -0.87 0.00 0.00 66.00 64.02 1wf9 h PRO 62 Cb 1.29 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.58 1wf9 h PRO 62 CO 0.48 1.27 -0.02 0.77 -0.23 0.00 0.00 178.00 180.28 1wf9 h SER 63 N 0.38 0.22 -0.16 1.44 0.02 -1.99 -2.14 113.55 111.33 1wf9 h SER 63 Ca -0.09 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1wf9 h SER 63 Cb 1.53 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.01 1wf9 h SER 63 CO 0.18 0.28 0.06 -0.78 -1.14 0.00 0.00 176.83 175.44 1wf9 h ASP 64 N 0.24 0.22 0.20 3.07 3.58 -1.95 -2.01 116.42 119.77 1wf9 h ASP 64 Ca 0.06 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 1wf9 h ASP 64 Cb 0.20 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 1wf9 h ASP 64 CO 0.01 0.31 -0.05 -0.26 -2.88 0.00 0.00 179.24 176.37 1wf9 h PHE 65 N 0.10 0.00 0.00 0.28 0.04 -1.34 0.65 116.94 116.68 1wf9 h PHE 65 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1wf9 h PHE 65 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1wf9 h PHE 65 CO -0.02 0.05 0.00 1.28 -0.60 0.00 0.00 178.31 179.03 1wf9 n LEU 66 N -3.64 0.14 0.12 1.54 4.77 -0.76 -1.38 117.00 117.79 1wf9 n LEU 66 Ca -0.02 0.54 -0.02 0.00 -0.03 0.00 0.00 56.01 56.48 1wf9 n LEU 66 Cb 0.16 -0.53 0.09 0.00 -2.33 0.00 0.00 43.42 40.81 1wf9 n LEU 66 CO 0.28 -0.37 0.41 0.00 -1.33 0.00 0.00 177.39 176.37 1wf9 h ALA 67 N 2.36 0.77 -2.28 -1.18 0.00 -0.86 -3.40 119.26 114.66 1wf9 h ALA 67 Ca 0.00 -0.63 -0.74 0.00 0.00 0.00 0.00 54.91 53.53 1wf9 h ALA 67 Cb 0.22 -0.11 -0.23 0.00 0.00 0.00 0.00 17.79 17.67 1wf9 h ALA 67 CO 0.00 0.87 -0.32 -0.06 0.00 0.00 0.00 179.25 179.74 1wf9 s PHE 68 N -3.29 3.25 -0.41 0.00 0.40 -0.48 -4.92 117.98 112.53 1wf9 s PHE 68 Ca -0.00 -0.98 0.09 0.00 -0.60 0.00 0.00 56.93 55.43 1wf9 s PHE 68 Cb 0.11 -3.25 0.43 0.00 0.51 0.00 0.00 43.02 40.82 1wf9 s PHE 68 CO 0.77 -0.83 1.05 0.25 0.70 0.00 0.00 175.22 177.16 1wf9 n THR 69 N 5.20 1.95 -0.07 0.64 -2.24 -1.26 -4.74 114.28 113.76 1wf9 n THR 69 Ca -0.13 -4.43 -0.12 0.00 -2.27 0.00 0.00 64.05 57.11 1wf9 n THR 69 Cb 0.43 -0.70 -0.15 0.00 -2.10 0.00 0.00 70.33 67.82 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 -0.33 0.81 -0.99 3.42 9.92 -1.26 -4.40 116.55 123.71 1wf9 n ASP 70 Ca 0.30 0.11 0.01 0.00 -0.53 0.00 0.00 54.79 54.68 1wf9 n ASP 70 Cb 0.69 0.27 0.15 0.00 -0.64 0.00 0.00 41.12 41.59 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 -3.00 1.69 0.10 -1.24 2.81 -1.25 -4.70 117.12 111.53 1wf9 n MET 71 Ca -0.31 -3.27 -0.17 0.00 -1.81 0.00 0.00 57.70 52.14 1wf9 n MET 71 Cb 1.09 -1.51 -0.14 0.00 -0.71 0.00 0.00 33.22 31.95 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 1.22 0.12 -2.23 3.04 0.00 -1.81 -3.43 119.26 116.16 1wf9 h ALA 72 Ca 0.02 -0.95 -0.55 0.00 0.00 0.00 0.00 54.91 53.43 1wf9 h ALA 72 Cb 1.21 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1wf9 h ALA 72 CO 0.13 0.99 1.11 0.34 0.00 0.00 0.00 179.25 181.83 1wf9 s ASP 73 N -7.14 6.58 0.41 0.00 2.15 -1.26 -4.86 116.67 112.55 1wf9 s ASP 73 Ca -0.06 2.19 0.27 0.00 0.43 0.00 0.00 52.55 55.38 1wf9 s ASP 73 Cb 0.07 -2.53 0.88 0.00 -0.30 0.00 0.00 42.92 41.03 1wf9 s ASP 73 CO 0.88 -1.00 1.78 1.55 -0.17 0.00 0.00 175.17 178.21 1wf9 h PRO 74 N 9.91 0.00 -0.06 4.34 0.13 -1.92 -2.42 132.00 141.98 1wf9 h PRO 74 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1wf9 h PRO 74 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wf9 h PRO 74 CO 0.96 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.82 1wf9 n ASN 75 N -2.81 1.86 -4.80 1.44 3.02 -1.26 -2.09 115.26 110.62 1wf9 n ASN 75 Ca 0.03 -1.64 -0.37 0.00 -0.03 0.00 0.00 54.58 52.57 1wf9 n ASN 75 Cb 0.39 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.91 4.36 0.07 3.41 2.96 -0.91 -4.89 118.68 121.76 1wf9 s LEU 76 Ca 0.35 1.57 0.00 0.00 -0.22 0.00 0.00 54.13 55.84 1wf9 s LEU 76 Cb 0.20 -3.69 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 1wf9 s LEU 76 CO 0.32 0.02 0.21 -0.13 -1.32 0.00 0.00 176.35 175.44 1wf9 s ARG 77 N -1.92 3.41 0.59 1.98 0.52 -1.26 0.22 118.95 122.49 1wf9 s ARG 77 Ca 0.45 -0.46 0.39 0.00 -0.52 0.00 0.00 55.73 55.58 1wf9 s ARG 77 Cb -0.18 -3.02 1.90 0.00 0.52 0.00 0.00 34.95 34.17 1wf9 s ARG 77 CO 0.22 0.60 2.16 -0.84 0.02 0.00 0.00 175.30 177.47 1wf9 h ILE 78 N 2.07 0.00 -0.18 1.52 3.07 -1.77 -1.53 117.51 120.69 1wf9 h ILE 78 Ca -0.45 -0.22 0.01 0.00 1.55 0.00 0.00 64.86 65.75 1wf9 h ILE 78 Cb 1.16 1.19 -0.01 0.00 -0.27 0.00 0.00 36.82 38.89 1wf9 h ILE 78 CO 0.75 0.00 0.12 -1.28 -1.05 0.00 0.00 178.15 176.69 1wf9 h SER 79 N 0.00 0.16 -1.01 2.16 0.87 -1.87 0.59 113.55 114.46 1wf9 h SER 79 Ca 0.00 -0.00 0.24 0.00 -1.23 0.00 0.00 61.79 60.80 1wf9 h SER 79 Cb 0.22 -0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 62.06 1wf9 h SER 79 CO 0.00 0.11 0.65 -1.28 -0.53 0.00 0.00 176.83 175.78 1wf9 h SER 80 N 0.19 0.46 0.00 6.23 0.87 -1.68 0.28 113.55 119.91 1wf9 h SER 80 Ca 0.07 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1wf9 h SER 80 Cb 0.06 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1wf9 h SER 80 CO -0.01 0.12 -1.89 0.18 -0.53 0.00 0.00 176.83 174.69 1wf9 n LEU 81 N -4.60 0.10 -1.41 2.23 4.77 -0.43 -5.00 117.00 112.66 1wf9 n LEU 81 Ca 0.24 -0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 56.13 1wf9 n LEU 81 Cb 0.81 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.92 1wf9 n LEU 81 CO 0.27 0.03 0.03 -3.20 -1.33 0.00 0.00 177.39 173.18 1wf9 n ASN 82 N -2.18 -2.17 -4.65 -1.43 5.15 0.99 -4.98 115.26 105.98 1wf9 n ASN 82 Ca -0.03 -0.12 -0.43 0.00 -0.60 0.00 0.00 54.58 53.40 1wf9 n ASN 82 Cb 0.54 -1.41 -0.02 0.00 -0.53 0.00 0.00 39.78 38.36 1wf9 n ASN 82 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1wf9 s LEU 83 N -2.75 4.07 0.34 1.20 1.43 -1.02 -5.00 118.68 116.95 1wf9 s LEU 83 Ca 0.02 1.35 0.06 0.00 -1.03 0.00 0.00 54.13 54.53 1wf9 s LEU 83 Cb -0.01 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.60 1wf9 s LEU 83 CO 0.14 -0.75 0.01 0.00 0.23 0.00 0.00 176.35 175.98 1wf9 s ALA 84 N 3.42 2.63 -0.42 4.21 0.00 -1.26 -4.83 121.76 125.50 1wf9 s ALA 84 Ca 0.47 -2.11 -0.34 0.00 0.00 0.00 0.00 51.96 49.99 1wf9 s ALA 84 Cb -0.16 0.39 -0.12 0.00 0.00 0.00 0.00 23.12 23.24 1wf9 s ALA 84 CO 0.10 -0.19 2.26 1.58 0.00 0.00 0.00 175.76 179.52 1wf9 n HIS 85 N -0.76 1.50 0.00 0.00 -0.00 -1.26 0.66 115.22 115.37 1wf9 n HIS 85 Ca -0.04 0.25 0.00 0.00 0.46 0.00 0.00 57.72 58.40 1wf9 n HIS 85 Cb 0.66 -2.54 0.00 0.00 -0.12 0.00 0.00 29.99 27.99 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 6.46 0.52 3.13 1.57 0.00 -1.24 -5.03 105.19 110.60 1wf9 n GLY 86 Ca 0.43 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 1wf9 n GLY 86 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wf9 n SER 87 N 0.00 -3.09 -4.55 1.61 7.64 0.21 -4.74 113.62 110.69 1wf9 n SER 87 Ca 0.00 0.01 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1wf9 n SER 87 Cb 0.00 -0.75 -0.11 0.00 -1.01 0.00 0.00 64.21 62.34 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 -2.63 2.33 0.07 1.43 -2.45 -1.26 -3.58 119.30 113.21 1wf9 s MET 88 Ca 0.45 -0.86 -0.12 0.00 -1.25 0.00 0.00 55.69 53.91 1wf9 s MET 88 Cb -0.03 -2.37 0.01 0.00 1.25 0.00 0.00 34.83 33.69 1wf9 s MET 88 CO 0.68 0.56 0.26 0.08 1.05 0.00 0.00 175.02 177.66 1wf9 s VAL 89 N -1.02 0.11 -0.08 10.11 1.01 -0.24 -4.97 120.40 125.31 1wf9 s VAL 89 Ca 0.17 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1wf9 s VAL 89 Cb -0.11 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.18 1wf9 s VAL 89 CO 0.08 -0.48 -0.17 -0.31 0.00 0.00 0.00 175.10 174.22 1wf9 s TYR 90 N -3.16 1.89 0.22 5.22 2.02 -1.00 0.16 117.35 122.70 1wf9 s TYR 90 Ca -0.01 -0.73 0.06 0.00 -0.37 0.00 0.00 57.07 56.02 1wf9 s TYR 90 Cb 0.01 -1.32 -0.04 0.00 -0.40 0.00 0.00 41.96 40.22 1wf9 s TYR 90 CO -0.07 -0.33 0.19 -1.17 -1.57 0.00 0.00 175.55 172.60 1wf9 s LEU 91 N 0.51 3.86 -0.21 -1.29 2.96 0.49 -2.17 118.68 122.83 1wf9 s LEU 91 Ca -0.16 -0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 1wf9 s LEU 91 Cb -0.16 -2.42 0.10 0.00 0.50 0.00 0.00 46.19 44.20 1wf9 s LEU 91 CO 0.06 0.00 0.45 0.00 -1.32 0.00 0.00 176.35 175.54 1wf9 s ALA 92 N -1.97 -1.28 0.02 5.97 0.00 -0.65 -4.44 121.76 119.41 1wf9 s ALA 92 Ca 0.32 1.62 -0.01 0.00 0.00 0.00 0.00 51.96 53.89 1wf9 s ALA 92 Cb -0.09 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 1wf9 s ALA 92 CO 0.25 -0.78 -0.01 1.52 0.00 0.00 0.00 175.76 176.75 1wf9 s TYR 93 N 2.64 0.22 -0.10 0.00 1.13 -1.25 0.20 117.35 120.20 1wf9 s TYR 93 Ca -0.02 -0.46 -0.11 0.00 -1.41 0.00 0.00 57.07 55.06 1wf9 s TYR 93 Cb -0.12 -0.17 -0.05 0.00 -1.10 0.00 0.00 41.96 40.53 1wf9 s TYR 93 CO -0.14 -0.20 0.26 -2.00 -2.51 0.00 0.00 175.55 170.97 1wf9 s GLU 94 N -1.41 3.86 0.28 -3.49 2.12 -1.26 -4.95 118.70 113.85 1wf9 s GLU 94 Ca -0.15 0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.26 1wf9 s GLU 94 Cb -0.09 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 31.01 1wf9 s GLU 94 CO -0.01 0.57 0.00 0.41 -0.54 0.00 0.00 175.26 175.69 1wf9 n GLY 95 N 2.44 -2.82 2.15 -1.50 0.00 -1.26 -4.93 105.19 99.27 1wf9 n GLY 95 Ca -0.16 -1.27 -0.17 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.18 -2.72 -2.19 1.61 0.28 -1.26 -4.99 120.64 108.19 1wf9 n GLU 96 Ca -0.04 -0.80 -0.27 0.00 -0.16 0.00 0.00 57.16 55.89 1wf9 n GLU 96 Cb 0.33 -1.19 0.05 0.00 1.43 0.00 0.00 31.44 32.06 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 -3.78 2.54 0.00 3.44 0.52 -1.26 -4.99 118.95 115.42 1wf9 s ARG 97 Ca 0.37 -0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.57 1wf9 s ARG 97 Cb -0.06 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.25 1wf9 s ARG 97 CO 0.31 -1.05 0.00 0.25 0.02 0.00 0.00 175.30 174.83 1wf9 n THR 98 N -2.85 0.00 -3.97 0.02 -2.24 0.75 -5.04 114.28 100.94 1wf9 n THR 98 Ca 0.07 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.49 1wf9 n THR 98 Cb 0.59 -1.40 -0.08 0.00 -2.10 0.00 0.00 70.33 67.34 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 -0.62 5.15 0.98 2.28 1.01 -1.26 -5.01 121.20 123.73 1wf9 s ILE 99 Ca 0.00 0.08 -0.15 0.00 0.00 0.00 0.00 60.65 60.58 1wf9 s ILE 99 Cb 0.00 -3.26 0.01 0.00 0.01 0.00 0.00 42.46 39.22 1wf9 s ILE 99 CO 0.00 0.56 0.10 0.54 0.00 0.00 0.00 174.94 176.14 1wf9 n ARG 100 N 2.50 -0.43 0.00 2.79 5.12 -1.26 -4.99 116.66 120.39 1wf9 n ARG 100 Ca -0.19 -0.10 0.00 0.00 -1.93 0.00 0.00 57.85 55.64 1wf9 n ARG 100 Cb 0.54 -1.67 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 1wf9 n ARG 100 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wf9 n GLY 101 N 1.95 0.06 3.49 -0.13 0.00 -1.26 -5.15 105.19 104.15 1wf9 n GLY 101 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.88 -0.47 0.00 1.61 0.15 -1.26 -5.17 113.70 103.68 1wf9 s SER 102 Ca 0.00 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.82 1wf9 s SER 102 Cb 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1wf9 s SER 102 CO 0.00 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.38 1wf9 n GLY 103 N 0.04 0.99 3.55 9.45 0.00 -1.26 -5.00 105.19 112.97 1wf9 n GLY 103 Ca -0.13 0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 4.90 2.93 -1.04 1.61 0.04 -1.20 -1.44 135.00 140.80 1wf9 s PRO 104 Ca 0.00 0.08 -0.23 0.00 0.04 0.00 0.00 61.00 60.89 1wf9 s PRO 104 Cb 0.00 -4.38 -0.02 0.00 0.04 0.00 0.00 34.50 30.14 1wf9 s PRO 104 CO 0.00 -2.47 1.81 -1.12 0.04 0.00 0.00 177.00 175.26 1wf9 s SER 105 N 5.92 5.60 -0.64 6.66 0.01 -1.26 -4.89 113.70 125.10 1wf9 s SER 105 Ca 0.51 -1.27 -0.15 0.00 1.31 0.00 0.00 55.95 56.35 1wf9 s SER 105 Cb -0.10 -2.57 0.16 0.00 0.21 0.00 0.00 66.02 63.72 1wf9 s SER 105 CO 0.15 -2.38 0.60 -0.44 0.41 0.00 0.00 173.24 171.58 1wf9 s SER 106 N 6.59 6.39 0.00 2.44 0.01 -1.26 -5.06 113.70 122.80 1wf9 s SER 106 Ca 0.63 -2.09 0.00 0.00 1.31 0.00 0.00 55.95 55.80 1wf9 s SER 106 Cb -0.03 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.99 1wf9 s SER 106 CO 0.01 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.50