#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf9 n SER 2 N 0.00 -6.03 -3.97 1.61 7.64 -1.26 -5.00 113.62 106.62 1wf9 n SER 2 Ca 0.00 -0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1wf9 n SER 2 Cb 0.00 -2.43 -0.13 0.00 -1.01 0.00 0.00 64.21 60.64 1wf9 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wf9 s SER 3 N -1.69 0.51 0.01 6.43 1.04 -1.26 -5.16 113.70 113.58 1wf9 s SER 3 Ca 0.35 -0.22 -0.10 0.00 0.48 0.00 0.00 55.95 56.46 1wf9 s SER 3 Cb -0.05 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.07 1wf9 s SER 3 CO 0.84 -0.05 0.20 -0.83 0.98 0.00 0.00 173.24 174.38 1wf9 s GLY 4 N -0.58 -0.01 -0.14 7.32 0.00 -1.26 -5.15 107.32 107.50 1wf9 s GLY 4 Ca -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 44.72 44.63 1wf9 s GLY 4 CO -0.00 -0.21 -0.06 -1.35 0.00 0.00 0.00 173.10 171.48 1wf9 s SER 5 N -1.54 4.61 -0.04 1.64 1.04 -1.26 -4.99 113.70 113.15 1wf9 s SER 5 Ca -0.12 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1wf9 s SER 5 Cb -0.05 -1.66 0.02 0.00 0.10 0.00 0.00 66.02 64.44 1wf9 s SER 5 CO 0.01 0.20 -0.02 -0.55 0.98 0.00 0.00 173.24 173.86 1wf9 s SER 6 N 0.18 0.74 0.00 7.02 0.15 -1.26 -5.06 113.70 115.47 1wf9 s SER 6 Ca -0.03 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1wf9 s SER 6 Cb -0.14 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 1wf9 s SER 6 CO 0.03 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1wf9 n GLY 7 N 4.20 0.68 3.81 9.45 0.00 -1.26 -4.66 105.19 117.40 1wf9 n GLY 7 Ca -0.24 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 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 5.08 0.12 2.61 2.01 -1.18 -4.95 115.64 119.32 1wf9 s THR 8 Ca 0.00 0.83 0.10 0.00 0.31 0.00 0.00 61.69 62.92 1wf9 s THR 8 Cb 0.00 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1wf9 s THR 8 CO 0.00 0.52 -0.21 -0.32 -0.69 0.00 0.00 174.62 173.92 1wf9 s MET 9 N -0.68 1.67 0.07 4.92 1.75 -1.26 0.88 119.30 126.65 1wf9 s MET 9 Ca 0.23 -1.23 0.05 0.00 -1.25 0.00 0.00 55.69 53.50 1wf9 s MET 9 Cb -0.16 -2.05 -0.03 0.00 2.84 0.00 0.00 34.83 35.43 1wf9 s MET 9 CO 0.12 0.47 -0.14 -0.51 -0.65 0.00 0.00 175.02 174.31 1wf9 s LEU 10 N -2.09 2.28 -0.44 4.11 1.43 -0.45 -3.70 118.68 119.81 1wf9 s LEU 10 Ca 0.17 -0.61 -0.08 0.00 -1.03 0.00 0.00 54.13 52.57 1wf9 s LEU 10 Cb -0.10 -0.51 0.10 0.00 0.03 0.00 0.00 46.19 45.71 1wf9 s LEU 10 CO 0.09 -0.08 0.29 -0.13 0.23 0.00 0.00 176.35 176.75 1wf9 s ARG 11 N -1.73 2.44 0.33 1.70 0.52 -1.23 -2.02 118.95 118.95 1wf9 s ARG 11 Ca -0.02 -1.67 -0.06 0.00 -0.52 0.00 0.00 55.73 53.46 1wf9 s ARG 11 Cb -0.10 -3.82 -0.05 0.00 0.52 0.00 0.00 34.95 31.50 1wf9 s ARG 11 CO 0.02 -1.09 0.61 0.14 0.02 0.00 0.00 175.30 175.00 1wf9 s VAL 12 N 1.35 4.98 -0.14 3.52 -7.23 0.52 -1.07 120.40 122.31 1wf9 s VAL 12 Ca 0.05 0.14 0.02 0.00 -1.81 0.00 0.00 61.98 60.38 1wf9 s VAL 12 Cb -0.25 -3.75 0.01 0.00 0.56 0.00 0.00 36.38 32.96 1wf9 s VAL 12 CO -0.00 -0.40 -0.20 -0.60 -0.31 0.00 0.00 175.10 173.58 1wf9 s ARG 13 N -3.72 2.86 0.30 4.82 6.06 0.50 0.80 118.95 130.57 1wf9 s ARG 13 Ca 0.45 -0.79 0.10 0.00 -2.50 0.00 0.00 55.73 52.99 1wf9 s ARG 13 Cb -0.11 -2.36 -0.06 0.00 0.06 0.00 0.00 34.95 32.49 1wf9 s ARG 13 CO 0.31 -0.06 -0.14 -1.54 -2.50 0.00 0.00 175.30 171.37 1wf9 s SER 14 N 0.94 3.53 0.29 -2.12 1.04 0.50 0.19 113.70 118.08 1wf9 s SER 14 Ca -0.05 -1.12 0.05 0.00 0.48 0.00 0.00 55.95 55.31 1wf9 s SER 14 Cb -0.15 -0.30 0.73 0.00 0.10 0.00 0.00 66.02 66.40 1wf9 s SER 14 CO -0.04 -0.11 1.74 0.08 0.98 0.00 0.00 173.24 175.89 1wf9 h ARG 15 N 2.18 0.57 -0.51 4.02 0.11 -1.96 0.28 114.38 119.06 1wf9 h ARG 15 Ca -0.41 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.63 1wf9 h ARG 15 Cb 1.25 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 32.18 1wf9 h ARG 15 CO 0.65 0.38 0.28 0.22 0.10 0.00 0.00 179.97 181.60 1wf9 h ASP 16 N 0.59 0.63 0.00 0.08 3.58 -1.98 -3.48 116.42 115.84 1wf9 h ASP 16 Ca 0.57 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.93 1wf9 h ASP 16 Cb 0.97 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.86 1wf9 h ASP 16 CO -0.44 0.54 0.00 0.61 -2.88 0.00 0.00 179.24 177.06 1wf9 n GLY 17 N -1.04 -0.54 3.15 -0.78 0.00 0.97 -5.13 105.19 101.82 1wf9 n GLY 17 Ca 0.02 0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 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 1.92 0.24 0.99 2.96 -1.26 0.19 118.68 123.71 1wf9 s LEU 18 Ca 0.00 -0.44 0.10 0.00 -0.22 0.00 0.00 54.13 53.57 1wf9 s LEU 18 Cb 0.00 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.50 1wf9 s LEU 18 CO 0.00 0.13 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.38 1wf9 s GLU 19 N 0.34 1.49 0.07 1.98 2.02 0.24 -4.92 118.70 119.92 1wf9 s GLU 19 Ca -0.13 -1.67 0.06 0.00 0.02 0.00 0.00 54.97 53.25 1wf9 s GLU 19 Cb -0.16 -1.44 -0.03 0.00 0.10 0.00 0.00 34.13 32.61 1wf9 s GLU 19 CO 0.06 0.26 -0.16 -0.98 0.02 0.00 0.00 175.26 174.45 1wf9 s ARG 20 N -3.55 0.94 0.04 1.61 1.70 -1.26 0.19 118.95 118.63 1wf9 s ARG 20 Ca 0.26 -0.97 -0.04 0.00 -0.47 0.00 0.00 55.73 54.50 1wf9 s ARG 20 Cb -0.03 -1.03 -0.02 0.00 -0.57 0.00 0.00 34.95 33.31 1wf9 s ARG 20 CO 0.11 0.24 0.07 0.08 -1.08 0.00 0.00 175.30 174.71 1wf9 s VAL 21 N -1.15 0.15 -0.15 4.99 1.01 -0.86 -4.96 120.40 119.43 1wf9 s VAL 21 Ca 0.01 -1.21 -0.10 0.00 0.00 0.00 0.00 61.98 60.68 1wf9 s VAL 21 Cb -0.10 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1wf9 s VAL 21 CO 0.03 -0.67 0.17 -0.55 0.00 0.00 0.00 175.10 174.08 1wf9 s SER 22 N -2.26 6.35 0.00 3.32 0.15 -1.26 -1.34 113.70 118.65 1wf9 s SER 22 Ca -0.03 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1wf9 s SER 22 Cb 0.00 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1wf9 s SER 22 CO -0.06 0.26 0.00 1.33 1.20 0.00 0.00 173.24 175.98 1wf9 n VAL 23 N 2.84 0.00 -0.03 4.45 0.24 0.25 -4.94 118.33 121.14 1wf9 n VAL 23 Ca -0.17 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.10 1wf9 n VAL 23 Cb 0.53 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.89 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 -0.88 0.83 -0.26 -1.34 9.92 -1.26 -3.13 116.55 120.43 1wf9 n ASP 24 Ca 0.00 0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1wf9 n ASP 24 Cb 0.00 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.95 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 1.85 1.04 0.18 0.44 0.00 -1.26 -4.16 105.19 103.28 1wf9 n GLY 25 Ca -0.05 -0.68 0.06 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.96 132.00 128.81 1wf9 h PRO 26 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wf9 h PRO 26 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wf9 h PRO 26 CO 0.00 0.35 0.18 1.12 -0.23 0.00 0.00 178.00 179.42 1wf9 h HIS 27 N 0.00 0.00 -3.51 1.56 2.07 -2.01 -3.39 115.15 109.87 1wf9 h HIS 27 Ca -0.00 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.00 1wf9 h HIS 27 Cb 1.02 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.98 1wf9 h HIS 27 CO 0.00 0.00 -0.03 0.96 -3.07 0.00 0.00 177.93 175.79 1wf9 s ILE 28 N -3.88 4.86 0.43 6.12 -5.25 -1.12 -5.06 121.20 117.31 1wf9 s ILE 28 Ca -0.03 0.54 0.08 0.00 -0.99 0.00 0.00 60.65 60.25 1wf9 s ILE 28 Cb 0.09 -3.65 -0.00 0.00 2.95 0.00 0.00 42.46 41.84 1wf9 s ILE 28 CO 0.27 -0.22 0.47 0.42 -1.79 0.00 0.00 174.94 174.10 1wf9 s THR 29 N -2.00 2.71 0.31 8.37 -4.23 -1.26 -3.67 115.64 115.88 1wf9 s THR 29 Ca 0.49 -1.20 0.07 0.00 -1.18 0.00 0.00 61.69 59.86 1wf9 s THR 29 Cb -0.11 -2.92 0.31 0.00 1.34 0.00 0.00 72.50 71.13 1wf9 s THR 29 CO 0.23 0.00 1.80 0.58 -0.54 0.00 0.00 174.62 176.69 1wf9 h VAL 30 N 0.82 0.75 -0.78 2.29 2.07 -0.28 0.27 116.25 121.40 1wf9 h VAL 30 Ca -0.40 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 66.96 1wf9 h VAL 30 Cb 1.27 -0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 1wf9 h VAL 30 CO 0.52 0.14 0.42 -1.28 0.02 0.00 0.00 177.57 177.39 1wf9 h SER 31 N 0.77 0.57 0.34 0.57 0.87 -1.73 0.23 113.55 115.17 1wf9 h SER 31 Ca 0.55 0.06 -0.15 0.00 -1.23 0.00 0.00 61.79 61.02 1wf9 h SER 31 Cb 0.85 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 1wf9 h SER 31 CO -0.33 0.32 -0.61 1.56 -0.53 0.00 0.00 176.83 177.23 1wf9 h GLN 32 N 0.69 0.27 0.00 2.24 4.20 -0.83 -2.48 115.11 119.20 1wf9 h GLN 32 Ca 0.38 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1wf9 h GLN 32 Cb 0.40 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1wf9 h GLN 32 CO -0.27 0.80 0.00 -0.11 -0.67 0.00 0.00 178.83 178.58 1wf9 n LEU 33 N -3.87 0.31 -0.33 1.46 0.00 -0.03 -1.37 117.00 113.16 1wf9 n LEU 33 Ca -0.03 0.68 0.22 0.00 0.00 0.00 0.00 56.01 56.88 1wf9 n LEU 33 Cb 0.63 -0.32 0.41 0.00 0.00 0.00 0.00 43.42 44.14 1wf9 n LEU 33 CO 0.45 -0.32 0.90 0.29 0.00 0.00 0.00 177.39 178.71 1wf9 n LYS 34 N -1.47 -0.07 -0.10 1.96 5.02 0.60 0.18 118.16 124.28 1wf9 n LYS 34 Ca 0.00 1.45 -0.06 0.00 -2.02 0.00 0.00 58.31 57.68 1wf9 n LYS 34 Cb 0.00 -2.41 0.02 0.00 -0.02 0.00 0.00 35.03 32.61 1wf9 n LYS 34 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1wf9 h THR 35 N 0.00 0.81 0.74 -0.18 2.02 -1.43 1.98 112.91 116.85 1wf9 h THR 35 Ca 0.70 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.79 1wf9 h THR 35 Cb 1.65 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1wf9 h THR 35 CO -0.87 0.03 -0.46 -0.07 0.37 0.00 0.00 175.52 174.52 1wf9 h LEU 36 N 0.18 -1.17 -2.07 2.58 3.38 0.32 0.12 115.31 118.65 1wf9 h LEU 36 Ca 0.17 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1wf9 h LEU 36 Cb 0.20 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1wf9 h LEU 36 CO -0.24 -0.71 0.01 0.40 0.09 0.00 0.00 178.44 177.99 1wf9 h ILE 37 N -1.14 0.92 0.00 1.22 2.04 -0.88 0.42 117.51 120.09 1wf9 h ILE 37 Ca -0.10 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1wf9 h ILE 37 Cb 0.91 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1wf9 h ILE 37 CO 0.09 0.00 -0.18 -0.61 0.00 0.00 0.00 178.15 177.45 1wf9 h GLN 38 N 0.00 0.00 0.04 2.37 -0.00 0.41 1.60 115.11 119.53 1wf9 h GLN 38 Ca 0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 58.31 1wf9 h GLN 38 Cb 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.46 1wf9 h GLN 38 CO -0.00 0.18 -2.07 -3.47 0.00 0.00 0.00 178.83 173.48 1wf9 n ASP 39 N -3.41 1.36 -0.06 -0.69 2.03 0.72 -2.08 116.55 114.42 1wf9 n ASP 39 Ca -0.00 0.17 -0.02 0.00 0.52 0.00 0.00 54.79 55.46 1wf9 n ASP 39 Cb 0.37 -0.22 -0.01 0.00 -0.72 0.00 0.00 41.12 40.54 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 0.02 0.00 0.00 -0.67 4.20 -0.17 -3.33 115.11 115.16 1wf9 h GLN 40 Ca -0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1wf9 h GLN 40 Cb 2.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.82 1wf9 h GLN 40 CO 0.04 0.03 0.00 1.28 -0.67 0.00 0.00 178.83 179.52 1wf9 n LEU 41 N -4.72 0.19 -3.46 1.46 4.77 0.54 -4.90 117.00 110.88 1wf9 n LEU 41 Ca -0.03 0.54 -0.22 0.00 -0.03 0.00 0.00 56.01 56.27 1wf9 n LEU 41 Cb 0.10 -0.51 0.06 0.00 -2.33 0.00 0.00 43.42 40.74 1wf9 n LEU 41 CO 0.04 -0.28 -0.02 0.00 -1.33 0.00 0.00 177.39 175.80 1wf9 n GLN 42 N -1.70 -2.15 -4.18 3.23 1.13 -0.97 -4.75 117.38 107.99 1wf9 n GLN 42 Ca 0.04 0.68 -0.16 0.00 -1.94 0.00 0.00 57.00 55.62 1wf9 n GLN 42 Cb 0.22 -5.10 -0.14 0.00 0.11 0.00 0.00 30.24 25.33 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 -3.44 0.50 -0.04 5.09 1.01 -0.88 -1.70 121.20 121.74 1wf9 s ILE 43 Ca 0.42 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.35 1wf9 s ILE 43 Cb -0.10 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1wf9 s ILE 43 CO 0.79 0.04 1.21 -2.16 0.00 0.00 0.00 174.94 174.83 1wf9 s PRO 44 N -0.42 4.36 0.14 2.79 0.04 -1.26 -4.08 135.00 136.57 1wf9 s PRO 44 Ca 0.00 1.70 -0.27 0.00 0.04 0.00 0.00 61.00 62.48 1wf9 s PRO 44 Cb -0.04 -3.53 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 1wf9 s PRO 44 CO -0.00 -0.43 1.59 0.82 0.04 0.00 0.00 177.00 179.02 1wf9 h ILE 45 N 4.94 0.19 -1.86 0.56 2.04 -1.89 0.83 117.51 122.32 1wf9 h ILE 45 Ca -0.35 0.00 0.54 0.00 1.00 0.00 0.00 64.86 66.05 1wf9 h ILE 45 Cb 1.17 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 1wf9 h ILE 45 CO 0.87 0.00 1.39 0.00 0.00 0.00 0.00 178.15 180.42 1wf9 n HIS 46 N -5.42 0.00 -0.06 1.37 1.44 -1.26 0.21 115.22 111.50 1wf9 n HIS 46 Ca -0.02 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.48 1wf9 n HIS 46 Cb 0.35 -0.47 -0.13 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 -3.82 2.05 -4.68 4.39 3.02 0.18 -4.93 115.26 111.46 1wf9 n ASN 47 Ca 0.42 0.12 -0.43 0.00 -0.03 0.00 0.00 54.58 54.66 1wf9 n ASN 47 Cb 1.95 -0.73 -0.01 0.00 -0.61 0.00 0.00 39.78 40.38 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 -3.54 2.05 -3.64 3.52 6.02 0.57 -4.05 117.38 118.31 1wf9 n GLN 48 Ca -0.38 0.72 -0.29 0.00 -0.01 0.00 0.00 57.00 57.04 1wf9 n GLN 48 Cb 0.99 -2.32 -0.15 0.00 1.02 0.00 0.00 30.24 29.79 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 -0.74 0.48 0.18 5.09 2.01 0.52 -4.86 115.64 118.32 1wf9 s THR 49 Ca 0.60 -1.22 -0.22 0.00 0.31 0.00 0.00 61.69 61.15 1wf9 s THR 49 Cb -0.60 -1.37 -0.08 0.00 0.01 0.00 0.00 72.50 70.45 1wf9 s THR 49 CO 0.58 -0.73 0.73 -0.76 -0.69 0.00 0.00 174.62 173.74 1wf9 s LEU 50 N 1.71 4.47 -0.24 4.42 1.43 -1.26 -2.14 118.68 127.07 1wf9 s LEU 50 Ca 0.10 1.50 -0.26 0.00 -1.03 0.00 0.00 54.13 54.44 1wf9 s LEU 50 Cb -0.17 -3.37 0.09 0.00 0.03 0.00 0.00 46.19 42.76 1wf9 s LEU 50 CO -0.27 0.14 0.81 -0.55 0.23 0.00 0.00 176.35 176.71 1wf9 s SER 51 N -1.37 -0.64 -0.28 2.29 0.15 -1.04 -3.87 113.70 108.95 1wf9 s SER 51 Ca 0.38 1.16 0.00 0.00 0.70 0.00 0.00 55.95 58.20 1wf9 s SER 51 Cb -0.20 1.15 0.27 0.00 -1.71 0.00 0.00 66.02 65.53 1wf9 s SER 51 CO 0.23 -0.27 1.76 0.35 1.20 0.00 0.00 173.24 176.51 1wf9 n THR 52 N 2.26 2.47 -3.71 6.45 -2.24 -1.26 -2.84 114.28 115.40 1wf9 n THR 52 Ca -0.14 -1.34 -0.15 0.00 -2.27 0.00 0.00 64.05 60.15 1wf9 n THR 52 Cb 0.56 -1.07 -0.15 0.00 -2.10 0.00 0.00 70.33 67.57 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 0.03 0.20 0.37 3.42 3.84 -1.26 -5.00 114.94 116.54 1wf9 s ASN 53 Ca 0.30 0.34 0.26 0.00 0.21 0.00 0.00 52.86 53.97 1wf9 s ASN 53 Cb 0.24 0.26 1.35 0.00 -0.55 0.00 0.00 41.25 42.55 1wf9 s ASN 53 CO 0.02 -0.19 1.79 0.08 -2.79 0.00 0.00 177.10 176.01 1wf9 h ARG 54 N 7.69 0.00 0.00 0.43 -0.00 -1.99 0.04 114.38 120.54 1wf9 h ARG 54 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.67 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 0.31 0.00 0.00 0.09 -0.00 0.00 0.00 179.97 180.37 1wf9 n ASN 55 N -2.41 0.59 0.09 0.08 3.02 -1.26 -1.21 115.26 114.16 1wf9 n ASN 55 Ca -0.01 0.71 0.01 0.00 -0.03 0.00 0.00 54.58 55.26 1wf9 n ASN 55 Cb 0.07 -0.81 0.33 0.00 -0.61 0.00 0.00 39.78 38.76 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 0.29 0.00 3.41 5.85 -1.36 0.10 115.31 123.61 1wf9 h LEU 56 Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1wf9 h LEU 56 Cb 0.15 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1wf9 h LEU 56 CO 0.00 0.49 0.00 0.18 -0.34 0.00 0.00 178.44 178.77 1wf9 n LEU 57 N -4.21 0.00 0.00 2.25 4.77 -0.35 -2.28 117.00 117.19 1wf9 n LEU 57 Ca -0.00 0.37 -0.22 0.00 -0.03 0.00 0.00 56.01 56.13 1wf9 n LEU 57 Cb 0.32 -0.37 -0.14 0.00 -2.33 0.00 0.00 43.42 40.90 1wf9 n LEU 57 CO 0.39 -0.18 -0.61 -0.07 -1.33 0.00 0.00 177.39 175.60 1wf9 h LEU 58 N 0.00 0.38 -9.12 2.23 3.38 -1.10 -3.46 115.31 107.62 1wf9 h LEU 58 Ca 0.00 -0.86 -0.68 0.00 0.09 0.00 0.00 57.88 56.42 1wf9 h LEU 58 Cb 0.20 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1wf9 h LEU 58 CO 0.00 1.73 1.05 0.00 0.09 0.00 0.00 178.44 181.31 1wf9 n ALA 59 N -3.02 0.40 -0.03 1.53 0.00 -0.96 -4.79 120.51 113.63 1wf9 n ALA 59 Ca -0.29 0.29 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1wf9 n ALA 59 Cb 0.96 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.95 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 6.27 1.68 -2.77 0.00 4.76 -1.26 -4.88 118.16 121.96 1wf9 n LYS 60 Ca 0.27 -0.04 -0.21 0.00 -2.87 0.00 0.00 58.31 55.46 1wf9 n LYS 60 Cb 0.21 -1.24 0.07 0.00 -1.84 0.00 0.00 35.03 32.22 1wf9 n LYS 60 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1wf9 s SER 61 N -3.82 4.91 -0.06 4.39 0.01 -1.26 -5.04 113.70 112.83 1wf9 s SER 61 Ca -0.04 -0.42 -0.26 0.00 1.31 0.00 0.00 55.95 56.54 1wf9 s SER 61 Cb 0.04 -0.20 -0.23 0.00 0.21 0.00 0.00 66.02 65.84 1wf9 s SER 61 CO 0.40 -1.43 1.04 1.55 0.41 0.00 0.00 173.24 175.21 1wf9 h PRO 62 N -0.07 0.09 -0.53 12.44 0.13 -2.00 -3.06 132.00 139.01 1wf9 h PRO 62 Ca -0.36 -0.09 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1wf9 h PRO 62 Cb 1.28 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1wf9 h PRO 62 CO 0.44 0.82 0.35 0.77 -0.23 0.00 0.00 178.00 180.15 1wf9 h SER 63 N -0.60 0.50 -0.47 1.44 0.02 -1.99 -1.11 113.55 111.34 1wf9 h SER 63 Ca -0.01 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1wf9 h SER 63 Cb 0.86 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 1wf9 h SER 63 CO 0.02 0.34 0.30 -0.78 -1.14 0.00 0.00 176.83 175.58 1wf9 h ASP 64 N 0.58 0.52 0.62 3.07 1.82 -1.96 -0.26 116.42 120.81 1wf9 h ASP 64 Ca 0.21 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1wf9 h ASP 64 Cb 0.13 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1wf9 h ASP 64 CO -0.06 0.38 0.00 -0.26 -1.61 0.00 0.00 179.24 177.69 1wf9 h PHE 65 N 0.62 0.00 0.00 0.28 0.04 -1.12 -0.59 116.94 116.17 1wf9 h PHE 65 Ca 0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 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 0.00 0.00 -0.07 -0.60 0.00 0.00 178.31 177.59 1wf9 h LEU 66 N 0.00 0.00 -0.82 1.54 3.38 -0.45 -2.90 115.31 116.06 1wf9 h LEU 66 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1wf9 h LEU 66 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1wf9 h LEU 66 CO 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 178.44 178.01 1wf9 h ALA 67 N 2.24 1.01 -1.98 1.53 0.00 -0.82 -3.37 119.26 117.86 1wf9 h ALA 67 Ca 0.00 -0.48 -0.69 0.00 0.00 0.00 0.00 54.91 53.73 1wf9 h ALA 67 Cb 0.71 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.23 1wf9 h ALA 67 CO 0.00 0.66 0.68 -0.06 0.00 0.00 0.00 179.25 180.54 1wf9 s PHE 68 N -3.91 3.13 -0.67 0.00 0.40 -1.10 -4.88 117.98 110.95 1wf9 s PHE 68 Ca -0.04 -1.33 0.04 0.00 -0.60 0.00 0.00 56.93 55.00 1wf9 s PHE 68 Cb 0.13 -4.22 0.34 0.00 0.51 0.00 0.00 43.02 39.78 1wf9 s PHE 68 CO 0.78 -1.44 1.15 0.25 0.70 0.00 0.00 175.22 176.65 1wf9 n THR 69 N 5.40 3.67 -0.11 0.64 -2.24 -1.26 -4.68 114.28 115.70 1wf9 n THR 69 Ca 0.18 -5.62 -0.15 0.00 -2.27 0.00 0.00 64.05 56.19 1wf9 n THR 69 Cb 0.48 -1.42 -0.10 0.00 -2.10 0.00 0.00 70.33 67.19 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 -0.23 2.19 -1.47 3.42 8.00 -1.26 -4.62 116.55 122.57 1wf9 n ASP 70 Ca 0.35 -0.11 -0.03 0.00 0.71 0.00 0.00 54.79 55.71 1wf9 n ASP 70 Cb 0.38 -0.27 0.10 0.00 -0.02 0.00 0.00 41.12 41.30 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 -3.11 1.74 0.06 -1.24 2.81 -1.25 -4.74 117.12 111.38 1wf9 n MET 71 Ca -0.38 -3.25 -0.15 0.00 -1.81 0.00 0.00 57.70 52.11 1wf9 n MET 71 Cb 0.93 -1.41 -0.14 0.00 -0.71 0.00 0.00 33.22 31.89 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 1.52 0.32 -2.33 3.04 0.00 -1.82 -3.42 119.26 116.57 1wf9 h ALA 72 Ca 0.02 -1.11 -0.55 0.00 0.00 0.00 0.00 54.91 53.27 1wf9 h ALA 72 Cb 1.38 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1wf9 h ALA 72 CO 0.23 1.19 0.96 0.34 0.00 0.00 0.00 179.25 181.97 1wf9 s ASP 73 N -6.87 6.75 0.43 0.00 2.15 -1.26 -4.87 116.67 112.99 1wf9 s ASP 73 Ca -0.07 2.19 0.28 0.00 0.43 0.00 0.00 52.55 55.37 1wf9 s ASP 73 Cb 0.07 -2.55 0.87 0.00 -0.30 0.00 0.00 42.92 41.01 1wf9 s ASP 73 CO 0.85 -0.83 1.79 1.55 -0.17 0.00 0.00 175.17 178.36 1wf9 h PRO 74 N 8.55 0.00 -0.01 4.34 0.13 -1.93 -2.43 132.00 140.64 1wf9 h PRO 74 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 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 0.93 0.00 -0.10 0.09 -0.23 0.00 0.00 178.00 178.69 1wf9 n ASN 75 N -2.87 1.34 -4.75 1.44 3.02 -1.26 -2.43 115.26 109.75 1wf9 n ASN 75 Ca 0.03 -1.27 -0.40 0.00 -0.03 0.00 0.00 54.58 52.90 1wf9 n ASN 75 Cb 0.39 0.05 -0.05 0.00 -0.61 0.00 0.00 39.78 39.56 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 -2.19 4.51 0.21 3.41 0.20 -0.91 -4.89 118.68 119.01 1wf9 s LEU 76 Ca 0.33 1.61 -0.04 0.00 0.69 0.00 0.00 54.13 56.72 1wf9 s LEU 76 Cb 0.20 -3.36 -0.05 0.00 -0.43 0.00 0.00 46.19 42.55 1wf9 s LEU 76 CO 0.41 0.05 0.44 -0.13 -0.29 0.00 0.00 176.35 176.83 1wf9 s ARG 77 N -0.39 3.61 0.61 1.98 0.52 -1.26 0.23 118.95 124.26 1wf9 s ARG 77 Ca 0.40 -0.10 0.39 0.00 -0.52 0.00 0.00 55.73 55.90 1wf9 s ARG 77 Cb -0.22 -2.77 1.88 0.00 0.52 0.00 0.00 34.95 34.36 1wf9 s ARG 77 CO 0.26 0.37 2.17 -0.84 0.02 0.00 0.00 175.30 177.28 1wf9 h ILE 78 N 1.72 0.00 0.00 1.52 3.07 -1.75 -0.58 117.51 121.50 1wf9 h ILE 78 Ca -0.47 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 65.67 1wf9 h ILE 78 Cb 1.18 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 1wf9 h ILE 78 CO 0.69 0.00 0.00 -0.24 -1.05 0.00 0.00 178.15 177.55 1wf9 n SER 79 N -3.09 0.51 0.10 2.16 2.88 -1.26 -0.91 113.62 114.02 1wf9 n SER 79 Ca -0.01 0.66 0.01 0.00 -1.33 0.00 0.00 58.87 58.19 1wf9 n SER 79 Cb 0.19 -0.75 0.33 0.00 -0.75 0.00 0.00 64.21 63.23 1wf9 n SER 79 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wf9 h SER 80 N 0.00 0.25 0.00 -3.46 0.87 -1.50 -2.94 113.55 106.77 1wf9 h SER 80 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1wf9 h SER 80 Cb 0.24 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1wf9 h SER 80 CO 0.00 0.48 -1.26 0.18 -0.53 0.00 0.00 176.83 175.70 1wf9 n LEU 81 N -4.19 0.22 -2.21 2.23 4.77 -0.75 -5.03 117.00 112.05 1wf9 n LEU 81 Ca -0.01 -0.18 -0.05 0.00 -0.03 0.00 0.00 56.01 55.74 1wf9 n LEU 81 Cb 0.34 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1wf9 n LEU 81 CO 0.39 0.06 0.03 -3.20 -1.33 0.00 0.00 177.39 173.34 1wf9 n ASN 82 N -1.74 -4.00 -4.52 -1.43 5.15 -0.08 -4.97 115.26 103.67 1wf9 n ASN 82 Ca -0.01 -0.25 -0.43 0.00 -0.60 0.00 0.00 54.58 53.29 1wf9 n ASN 82 Cb 0.30 -2.50 -0.05 0.00 -0.53 0.00 0.00 39.78 37.00 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 -3.80 4.21 0.45 1.20 2.01 -1.12 -5.03 118.68 116.61 1wf9 s LEU 83 Ca 0.16 -0.31 0.08 0.00 0.01 0.00 0.00 54.13 54.07 1wf9 s LEU 83 Cb -0.02 -2.86 0.02 0.00 0.01 0.00 0.00 46.19 43.35 1wf9 s LEU 83 CO 0.31 -1.11 0.62 0.00 1.01 0.00 0.00 176.35 177.17 1wf9 s ALA 84 N 3.66 4.51 -0.30 4.21 0.00 -1.26 -4.94 121.76 127.64 1wf9 s ALA 84 Ca 0.29 -1.72 -0.28 0.00 0.00 0.00 0.00 51.96 50.26 1wf9 s ALA 84 Cb -0.13 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1wf9 s ALA 84 CO 0.20 -0.40 2.14 -1.58 0.00 0.00 0.00 175.76 176.12 1wf9 s HIS 85 N -2.43 1.31 0.00 0.00 2.46 -1.26 -0.48 115.29 114.89 1wf9 s HIS 85 Ca 0.56 0.73 0.00 0.00 0.47 0.00 0.00 55.06 56.82 1wf9 s HIS 85 Cb -0.09 -3.93 0.00 0.00 -0.13 0.00 0.00 32.58 28.43 1wf9 s HIS 85 CO 0.34 -3.53 0.00 0.41 -2.47 0.00 0.00 174.74 169.50 1wf9 n GLY 86 N 5.72 1.38 3.32 1.59 0.00 -1.24 -5.04 105.19 110.92 1wf9 n GLY 86 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 1wf9 n GLY 86 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wf9 n SER 87 N 0.00 -2.67 -4.54 1.61 2.88 0.36 -4.82 113.62 106.44 1wf9 n SER 87 Ca 0.00 -0.38 -0.31 0.00 -1.33 0.00 0.00 58.87 56.85 1wf9 n SER 87 Cb 0.00 -1.08 -0.11 0.00 -0.75 0.00 0.00 64.21 62.26 1wf9 n SER 87 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1wf9 s MET 88 N -4.28 2.32 0.05 -1.46 -2.45 -1.26 -3.54 119.30 108.68 1wf9 s MET 88 Ca 0.63 -0.86 -0.16 0.00 -1.25 0.00 0.00 55.69 54.05 1wf9 s MET 88 Cb -0.18 -2.36 0.03 0.00 1.25 0.00 0.00 34.83 33.57 1wf9 s MET 88 CO 0.61 0.57 0.37 0.08 1.05 0.00 0.00 175.02 177.69 1wf9 s VAL 89 N -1.00 0.07 -0.07 10.11 1.01 -0.24 -4.95 120.40 125.32 1wf9 s VAL 89 Ca 0.17 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1wf9 s VAL 89 Cb -0.11 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.32 1wf9 s VAL 89 CO 0.08 -0.31 -0.17 -0.31 0.00 0.00 0.00 175.10 174.38 1wf9 s TYR 90 N -2.56 1.91 0.17 5.22 2.02 -1.13 0.19 117.35 123.17 1wf9 s TYR 90 Ca -0.05 -0.72 0.06 0.00 -0.37 0.00 0.00 57.07 55.99 1wf9 s TYR 90 Cb -0.01 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.19 1wf9 s TYR 90 CO -0.03 -0.31 0.09 -1.17 -1.57 0.00 0.00 175.55 172.56 1wf9 s LEU 91 N 0.45 3.64 -0.17 -1.29 2.96 0.50 -2.48 118.68 122.28 1wf9 s LEU 91 Ca -0.15 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 53.45 1wf9 s LEU 91 Cb -0.16 -2.25 0.07 0.00 0.50 0.00 0.00 46.19 44.35 1wf9 s LEU 91 CO 0.05 0.07 0.40 0.00 -1.32 0.00 0.00 176.35 175.56 1wf9 s ALA 92 N -1.78 -1.05 -0.02 5.97 0.00 -0.91 -4.43 121.76 119.55 1wf9 s ALA 92 Ca 0.30 1.48 -0.08 0.00 0.00 0.00 0.00 51.96 53.66 1wf9 s ALA 92 Cb -0.10 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 21.99 1wf9 s ALA 92 CO 0.22 -0.43 0.17 1.52 0.00 0.00 0.00 175.76 177.24 1wf9 s TYR 93 N 1.80 -0.04 -0.03 0.00 1.13 -1.26 0.20 117.35 119.15 1wf9 s TYR 93 Ca -0.07 0.07 -0.18 0.00 -1.41 0.00 0.00 57.07 55.48 1wf9 s TYR 93 Cb -0.10 -0.00 -0.05 0.00 -1.10 0.00 0.00 41.96 40.71 1wf9 s TYR 93 CO -0.12 -0.26 0.51 -1.83 -2.51 0.00 0.00 175.55 171.33 1wf9 s GLU 94 N -1.04 4.21 0.10 -3.49 -1.05 -1.26 -4.93 118.70 111.24 1wf9 s GLU 94 Ca -0.11 0.56 0.00 0.00 -0.15 0.00 0.00 54.97 55.27 1wf9 s GLU 94 Cb -0.06 -3.33 0.00 0.00 -0.44 0.00 0.00 34.13 30.30 1wf9 s GLU 94 CO 0.02 0.41 0.00 0.41 0.95 0.00 0.00 175.26 177.05 1wf9 n GLY 95 N 2.47 -1.69 0.91 -3.83 0.00 -1.26 -4.94 105.19 96.85 1wf9 n GLY 95 Ca -0.09 -1.43 -0.08 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.24 -1.44 -2.54 1.61 1.02 -1.26 -5.04 120.64 110.74 1wf9 n GLU 96 Ca -0.00 -0.46 -0.25 0.00 -0.02 0.00 0.00 57.16 56.42 1wf9 n GLU 96 Cb 0.16 -0.41 0.03 0.00 -0.02 0.00 0.00 31.44 31.19 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 -3.65 2.91 0.00 3.49 0.52 -1.26 -5.01 118.95 115.95 1wf9 s ARG 97 Ca 0.18 -0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 1wf9 s ARG 97 Cb -0.02 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 33.11 1wf9 s ARG 97 CO 0.14 -0.62 0.00 0.25 0.02 0.00 0.00 175.30 175.09 1wf9 n THR 98 N -2.46 0.00 -3.37 0.02 -2.24 -0.69 -5.06 114.28 100.47 1wf9 n THR 98 Ca 0.04 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.44 1wf9 n THR 98 Cb 0.58 -1.65 -0.06 0.00 -2.10 0.00 0.00 70.33 67.10 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 -0.15 4.87 1.00 2.28 1.09 -1.26 -4.97 121.20 124.05 1wf9 s ILE 99 Ca 0.00 1.00 -0.15 0.00 -1.10 0.00 0.00 60.65 60.40 1wf9 s ILE 99 Cb 0.00 -3.80 0.04 0.00 -1.06 0.00 0.00 42.46 37.64 1wf9 s ILE 99 CO 0.00 0.50 0.19 0.54 -0.10 0.00 0.00 174.94 176.07 1wf9 n ARG 100 N 1.57 -0.63 -5.28 2.79 5.12 -1.26 -5.00 116.66 113.97 1wf9 n ARG 100 Ca -0.11 -0.15 -0.31 0.00 -1.93 0.00 0.00 57.85 55.35 1wf9 n ARG 100 Cb 0.51 -1.75 -0.16 0.00 -1.16 0.00 0.00 32.46 29.91 1wf9 n ARG 100 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1wf9 s GLY 101 N -1.89 1.29 -0.03 -0.13 0.00 -1.26 -5.05 107.32 100.25 1wf9 s GLY 101 Ca 0.55 -1.10 -0.03 0.00 0.00 0.00 0.00 44.72 44.14 1wf9 s GLY 101 CO 0.68 -0.87 -0.05 1.44 0.00 0.00 0.00 173.10 174.29 1wf9 n SER 102 N 2.52 0.30 0.00 1.64 7.64 -1.26 -5.14 113.62 119.31 1wf9 n SER 102 Ca -0.16 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1wf9 n SER 102 Cb 0.51 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1wf9 n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wf9 n GLY 103 N 1.54 1.95 3.55 0.23 0.00 -1.26 -5.07 105.19 106.14 1wf9 n GLY 103 Ca -0.02 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.00 2.95 -0.42 1.61 0.04 -1.26 -4.82 135.00 131.10 1wf9 s PRO 104 Ca 0.00 -0.00 0.04 0.00 0.04 0.00 0.00 61.00 61.08 1wf9 s PRO 104 Cb 0.00 -4.47 0.19 0.00 0.04 0.00 0.00 34.50 30.25 1wf9 s PRO 104 CO 0.00 -2.51 0.75 0.45 0.04 0.00 0.00 177.00 175.73 1wf9 s SER 105 N 6.01 -1.25 -0.45 6.66 0.15 -1.26 -5.12 113.70 118.44 1wf9 s SER 105 Ca 0.52 -0.87 -0.29 0.00 0.70 0.00 0.00 55.95 56.01 1wf9 s SER 105 Cb -0.09 1.61 0.03 0.00 -1.71 0.00 0.00 66.02 65.86 1wf9 s SER 105 CO 0.13 -0.11 1.18 -0.44 1.20 0.00 0.00 173.24 175.20 1wf9 s SER 106 N 1.59 6.61 0.00 5.45 0.01 -1.26 -5.20 113.70 120.90 1wf9 s SER 106 Ca 0.19 0.58 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1wf9 s SER 106 Cb -0.01 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1wf9 s SER 106 CO -0.08 -1.25 0.45 0.61 0.41 0.00 0.00 173.24 173.38