#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 3.78 0.02 1.61 1.04 -1.26 -5.11 113.70 113.78 1wf9 s SER 2 Ca 0.00 -1.40 0.07 0.00 0.48 0.00 0.00 55.95 55.10 1wf9 s SER 2 Cb 0.00 -0.89 -0.02 0.00 0.10 0.00 0.00 66.02 65.20 1wf9 s SER 2 CO 0.00 -0.36 -0.20 -0.55 0.98 0.00 0.00 173.24 173.11 1wf9 s SER 3 N 1.60 2.38 0.24 7.02 0.15 -1.26 -5.15 113.70 118.69 1wf9 s SER 3 Ca 0.05 -0.47 0.08 0.00 0.70 0.00 0.00 55.95 56.31 1wf9 s SER 3 Cb -0.18 -0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 63.88 1wf9 s SER 3 CO -0.17 0.18 0.06 -0.83 1.20 0.00 0.00 173.24 173.68 1wf9 s GLY 4 N -0.95 1.59 -0.04 9.45 0.00 -1.26 -5.11 107.32 111.00 1wf9 s GLY 4 Ca 0.07 -1.52 -0.16 0.00 0.00 0.00 0.00 44.72 43.11 1wf9 s GLY 4 CO 0.01 -1.57 0.42 -0.56 0.00 0.00 0.00 173.10 171.40 1wf9 s SER 5 N -3.59 6.75 0.32 1.64 0.01 -1.26 -4.83 113.70 112.74 1wf9 s SER 5 Ca 0.31 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.47 1wf9 s SER 5 Cb -0.07 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1wf9 s SER 5 CO 0.21 0.22 0.00 -1.20 0.41 0.00 0.00 173.24 172.88 1wf9 n SER 6 N 2.46 -2.87 0.00 2.44 7.64 -1.26 -5.12 113.62 116.92 1wf9 n SER 6 Ca -0.12 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.46 1wf9 n SER 6 Cb 0.52 2.81 0.00 0.00 -1.01 0.00 0.00 64.21 66.53 1wf9 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wf9 n GLY 7 N -1.39 0.77 3.16 0.23 0.00 -1.26 -4.98 105.19 101.72 1wf9 n GLY 7 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 0.92 3.57 -0.16 2.61 2.01 -1.26 -5.01 115.64 118.33 1wf9 s THR 8 Ca 0.00 -1.86 -0.06 0.00 0.31 0.00 0.00 61.69 60.08 1wf9 s THR 8 Cb 0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 1wf9 s THR 8 CO 0.00 -0.64 0.04 -0.32 -0.69 0.00 0.00 174.62 173.01 1wf9 s MET 9 N 1.23 3.71 -0.03 4.92 1.75 -1.26 -0.71 119.30 128.91 1wf9 s MET 9 Ca 0.06 -0.38 -0.01 0.00 -1.25 0.00 0.00 55.69 54.11 1wf9 s MET 9 Cb -0.23 -3.08 -0.04 0.00 2.84 0.00 0.00 34.83 34.32 1wf9 s MET 9 CO -0.02 0.38 0.06 -0.51 -0.65 0.00 0.00 175.02 174.27 1wf9 s LEU 10 N 0.05 3.82 -0.59 4.11 2.01 0.26 -2.62 118.68 125.72 1wf9 s LEU 10 Ca 0.04 0.16 -0.20 0.00 0.01 0.00 0.00 54.13 54.14 1wf9 s LEU 10 Cb -0.12 -2.12 0.08 0.00 0.01 0.00 0.00 46.19 44.04 1wf9 s LEU 10 CO 0.01 0.31 0.77 -0.60 1.01 0.00 0.00 176.35 177.85 1wf9 s ARG 11 N -1.46 3.09 -0.49 1.70 3.52 -1.21 -0.56 118.95 123.55 1wf9 s ARG 11 Ca 0.20 -1.05 -0.19 0.00 -0.13 0.00 0.00 55.73 54.56 1wf9 s ARG 11 Cb -0.12 -4.21 0.05 0.00 -1.56 0.00 0.00 34.95 29.11 1wf9 s ARG 11 CO 0.10 -1.54 0.60 0.08 -0.81 0.00 0.00 175.30 173.72 1wf9 s VAL 12 N 3.09 4.91 -0.07 7.11 1.01 0.18 -1.37 120.40 135.26 1wf9 s VAL 12 Ca 0.16 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.47 1wf9 s VAL 12 Cb -0.21 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1wf9 s VAL 12 CO 0.09 -0.74 0.64 -0.60 0.00 0.00 0.00 175.10 174.49 1wf9 s ARG 13 N 2.55 4.40 0.07 2.72 6.06 0.53 -1.60 118.95 133.68 1wf9 s ARG 13 Ca 0.15 0.76 0.07 0.00 -2.50 0.00 0.00 55.73 54.21 1wf9 s ARG 13 Cb -0.19 -3.43 -0.03 0.00 0.06 0.00 0.00 34.95 31.36 1wf9 s ARG 13 CO 0.12 0.13 -0.18 -1.54 -2.50 0.00 0.00 175.30 171.33 1wf9 s SER 14 N 0.63 2.12 0.59 -2.12 1.04 0.12 0.19 113.70 116.26 1wf9 s SER 14 Ca 0.34 -0.60 0.29 0.00 0.48 0.00 0.00 55.95 56.46 1wf9 s SER 14 Cb -0.17 -0.12 1.52 0.00 0.10 0.00 0.00 66.02 67.35 1wf9 s SER 14 CO 0.16 0.03 1.95 0.08 0.98 0.00 0.00 173.24 176.44 1wf9 h ARG 15 N 4.42 0.00 0.00 4.02 0.11 -1.92 1.24 114.38 122.25 1wf9 h ARG 15 Ca -0.43 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.58 1wf9 h ARG 15 Cb 1.18 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 1wf9 h ARG 15 CO 0.41 0.00 -0.36 0.22 0.10 0.00 0.00 179.97 180.34 1wf9 h ASP 16 N 0.00 0.00 -0.63 0.08 1.82 -1.95 -3.49 116.42 112.26 1wf9 h ASP 16 Ca 0.19 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1wf9 h ASP 16 Cb 1.01 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.02 1wf9 h ASP 16 CO -0.00 0.36 0.00 0.61 -1.61 0.00 0.00 179.24 178.60 1wf9 n GLY 17 N 0.69 -2.20 3.82 -0.78 0.00 0.43 -5.12 105.19 102.03 1wf9 n GLY 17 Ca 0.01 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 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 4.45 0.17 0.99 1.98 -1.26 0.13 118.68 125.15 1wf9 s LEU 18 Ca 0.00 0.95 -0.04 0.00 -2.89 0.00 0.00 54.13 52.15 1wf9 s LEU 18 Cb 0.00 -2.61 -0.03 0.00 0.66 0.00 0.00 46.19 44.21 1wf9 s LEU 18 CO 0.00 0.28 0.18 -1.61 -1.89 0.00 0.00 176.35 173.31 1wf9 s GLU 19 N -0.86 1.14 0.06 1.98 2.02 -0.62 -4.94 118.70 117.48 1wf9 s GLU 19 Ca 0.24 -1.41 0.06 0.00 0.02 0.00 0.00 54.97 53.88 1wf9 s GLU 19 Cb -0.17 0.31 -0.03 0.00 0.10 0.00 0.00 34.13 34.35 1wf9 s GLU 19 CO 0.13 -0.38 -0.16 -0.98 0.02 0.00 0.00 175.26 173.89 1wf9 s ARG 20 N -4.06 0.95 0.04 1.61 1.70 -1.26 -0.65 118.95 117.29 1wf9 s ARG 20 Ca 0.27 -0.90 0.01 0.00 -0.47 0.00 0.00 55.73 54.64 1wf9 s ARG 20 Cb 0.05 -1.01 -0.03 0.00 -0.57 0.00 0.00 34.95 33.40 1wf9 s ARG 20 CO 0.05 0.24 -0.06 0.08 -1.08 0.00 0.00 175.30 174.53 1wf9 s VAL 21 N -1.04 0.40 -0.17 4.99 1.01 0.28 -4.90 120.40 120.97 1wf9 s VAL 21 Ca 0.01 -1.14 -0.08 0.00 0.00 0.00 0.00 61.98 60.77 1wf9 s VAL 21 Cb -0.09 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1wf9 s VAL 21 CO 0.02 -0.50 0.09 -0.55 0.00 0.00 0.00 175.10 174.17 1wf9 s SER 22 N -1.74 5.94 0.00 3.32 0.15 -1.26 0.92 113.70 121.02 1wf9 s SER 22 Ca -0.09 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1wf9 s SER 22 Cb -0.08 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 1wf9 s SER 22 CO -0.01 0.23 0.00 1.33 1.20 0.00 0.00 173.24 175.99 1wf9 n VAL 23 N 3.16 0.00 -0.07 4.45 0.24 0.11 -4.95 118.33 121.26 1wf9 n VAL 23 Ca -0.17 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 61.98 1wf9 n VAL 23 Cb 0.53 -0.05 -0.06 0.00 -1.47 0.00 0.00 33.84 32.79 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 -0.64 1.35 0.00 -1.34 9.92 -1.26 -4.46 116.55 120.11 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 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 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 2.18 -0.78 0.19 0.44 0.00 -1.26 -4.83 105.19 101.14 1wf9 n GLY 25 Ca -0.29 -0.94 0.07 0.00 0.00 0.00 0.00 46.02 44.87 1wf9 n GLY 25 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf9 h PRO 26 N 0.00 0.00 0.00 1.61 0.13 -1.97 -2.95 132.00 128.82 1wf9 h PRO 26 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wf9 h PRO 26 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wf9 h PRO 26 CO 0.00 0.31 0.16 1.12 -0.23 0.00 0.00 178.00 179.36 1wf9 h HIS 27 N 0.00 0.00 -3.57 1.56 2.07 -2.01 -3.38 115.15 109.82 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 0.99 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.94 1wf9 h HIS 27 CO 0.00 0.00 0.03 0.96 -3.07 0.00 0.00 177.93 175.85 1wf9 s ILE 28 N -3.91 4.73 0.35 6.12 -5.25 -1.12 -5.05 121.20 117.08 1wf9 s ILE 28 Ca -0.03 0.93 0.07 0.00 -0.99 0.00 0.00 60.65 60.62 1wf9 s ILE 28 Cb 0.09 -3.69 -0.02 0.00 2.95 0.00 0.00 42.46 41.79 1wf9 s ILE 28 CO 0.28 0.00 0.37 0.42 -1.79 0.00 0.00 174.94 174.22 1wf9 s THR 29 N -1.76 3.48 0.36 8.37 -4.23 -1.26 -3.54 115.64 117.06 1wf9 s THR 29 Ca 0.48 -1.25 0.16 0.00 -1.18 0.00 0.00 61.69 59.90 1wf9 s THR 29 Cb -0.13 -3.19 0.35 0.00 1.34 0.00 0.00 72.50 70.87 1wf9 s THR 29 CO 0.19 -0.13 1.69 0.58 -0.54 0.00 0.00 174.62 176.41 1wf9 h VAL 30 N 1.08 0.37 -0.33 2.29 2.07 -0.53 0.70 116.25 121.89 1wf9 h VAL 30 Ca -0.44 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.01 1wf9 h VAL 30 Cb 1.26 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1wf9 h VAL 30 CO 0.56 0.07 0.02 0.77 0.02 0.00 0.00 177.57 179.00 1wf9 h SER 31 N 0.36 -0.09 0.18 0.57 4.64 -1.70 0.59 113.55 118.10 1wf9 h SER 31 Ca 0.70 0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.98 1wf9 h SER 31 Cb 1.66 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.86 1wf9 h SER 31 CO -0.50 -0.01 -0.43 1.56 -0.87 0.00 0.00 176.83 176.58 1wf9 h GLN 32 N 0.12 0.32 0.72 4.77 4.20 -0.02 -2.48 115.11 122.72 1wf9 h GLN 32 Ca 0.16 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1wf9 h GLN 32 Cb 0.21 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.00 1wf9 h GLN 32 CO -0.25 0.69 -0.34 1.25 -0.67 0.00 0.00 178.83 179.50 1wf9 h LEU 33 N 0.26 -0.81 -0.16 1.46 6.46 0.60 -2.29 115.31 120.83 1wf9 h LEU 33 Ca 0.02 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1wf9 h LEU 33 Cb 0.86 0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.96 1wf9 h LEU 33 CO 0.07 -0.46 -0.31 0.11 -0.62 0.00 0.00 178.44 177.23 1wf9 h LYS 34 N -1.19 -0.26 -0.86 1.25 1.57 0.13 -1.33 116.57 115.88 1wf9 h LYS 34 Ca -0.10 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1wf9 h LYS 34 Cb 0.76 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 33.00 1wf9 h LYS 34 CO 0.16 -0.17 -0.41 2.41 -0.57 0.00 0.00 179.45 180.87 1wf9 n THR 35 N -4.17 -0.51 -0.06 -0.16 -1.04 -0.94 0.26 114.28 107.65 1wf9 n THR 35 Ca -0.03 2.04 -0.03 0.00 -2.04 0.00 0.00 64.05 63.99 1wf9 n THR 35 Cb 0.20 -2.62 -0.03 0.00 -1.82 0.00 0.00 70.33 66.07 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 -0.50 0.09 -4.42 3.38 -0.66 0.53 115.31 113.73 1wf9 h LEU 36 Ca 0.23 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.28 1wf9 h LEU 36 Cb 0.44 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1wf9 h LEU 36 CO -0.83 -0.08 -0.14 0.40 0.09 0.00 0.00 178.44 177.87 1wf9 h ILE 37 N -0.06 0.67 -1.54 1.22 5.03 -0.17 0.66 117.51 123.32 1wf9 h ILE 37 Ca 0.03 0.00 0.47 0.00 -0.12 0.00 0.00 64.86 65.24 1wf9 h ILE 37 Cb 0.13 0.67 -0.10 0.00 -3.03 0.00 0.00 36.82 34.48 1wf9 h ILE 37 CO -0.19 0.00 1.05 -0.61 -0.68 0.00 0.00 178.15 177.73 1wf9 h GLN 38 N -0.29 0.04 0.00 2.37 -0.00 0.45 1.59 115.11 119.27 1wf9 h GLN 38 Ca 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1wf9 h GLN 38 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.77 1wf9 h GLN 38 CO -0.08 0.03 -0.23 -3.47 0.00 0.00 0.00 178.83 175.08 1wf9 n ASP 39 N -4.38 0.79 -0.23 -0.69 -0.08 0.18 0.19 116.55 112.32 1wf9 n ASP 39 Ca 0.39 0.41 -0.05 0.00 -1.51 0.00 0.00 54.79 54.02 1wf9 n ASP 39 Cb 1.62 -0.66 0.00 0.00 2.34 0.00 0.00 41.12 44.42 1wf9 n ASP 39 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1wf9 h GLN 40 N -0.44 -0.14 0.00 -0.67 4.20 0.11 0.62 115.11 118.79 1wf9 h GLN 40 Ca 0.00 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1wf9 h GLN 40 Cb 0.23 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1wf9 h GLN 40 CO 0.00 -0.10 -0.20 -0.07 -0.67 0.00 0.00 178.83 177.79 1wf9 h LEU 41 N -0.15 0.00 -2.31 1.46 3.38 0.21 -3.42 115.31 114.48 1wf9 h LEU 41 Ca 0.24 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 1wf9 h LEU 41 Cb 0.56 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.40 1wf9 h LEU 41 CO -0.73 0.20 -0.42 0.00 0.09 0.00 0.00 178.44 177.58 1wf9 n GLN 42 N -3.18 -2.16 -4.32 1.13 1.13 0.22 -4.72 117.38 105.48 1wf9 n GLN 42 Ca 0.03 0.44 -0.18 0.00 -1.94 0.00 0.00 57.00 55.34 1wf9 n GLN 42 Cb 0.57 -3.93 -0.14 0.00 0.11 0.00 0.00 30.24 26.85 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 -3.19 0.79 -0.00 5.09 1.01 0.50 -0.54 121.20 124.85 1wf9 s ILE 43 Ca 0.13 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 1wf9 s ILE 43 Cb -0.02 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 1wf9 s ILE 43 CO 0.37 0.06 1.20 -2.16 0.00 0.00 0.00 174.94 174.41 1wf9 s PRO 44 N -0.65 4.39 0.14 2.79 0.04 -1.26 -3.96 135.00 136.49 1wf9 s PRO 44 Ca 0.01 1.71 -0.28 0.00 0.04 0.00 0.00 61.00 62.48 1wf9 s PRO 44 Cb -0.06 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 1wf9 s PRO 44 CO 0.00 -0.35 1.59 0.82 0.04 0.00 0.00 177.00 179.10 1wf9 h ILE 45 N 4.79 0.17 -1.80 0.56 2.04 -1.92 0.78 117.51 122.13 1wf9 h ILE 45 Ca -0.38 0.00 0.53 0.00 1.00 0.00 0.00 64.86 66.01 1wf9 h ILE 45 Cb 1.19 0.17 -0.08 0.00 -0.74 0.00 0.00 36.82 37.36 1wf9 h ILE 45 CO 0.85 0.00 1.29 0.00 0.00 0.00 0.00 178.15 180.28 1wf9 n HIS 46 N -5.43 0.06 -0.06 1.37 1.44 -1.26 0.21 115.22 111.55 1wf9 n HIS 46 Ca -0.03 0.06 -0.22 0.00 -2.01 0.00 0.00 57.72 55.52 1wf9 n HIS 46 Cb 0.35 -0.52 -0.13 0.00 0.12 0.00 0.00 29.99 29.82 1wf9 n HIS 46 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1wf9 n ASN 47 N -3.86 2.02 -4.64 4.39 4.13 0.15 -4.93 115.26 112.52 1wf9 n ASN 47 Ca 0.41 0.20 -0.44 0.00 1.68 0.00 0.00 54.58 56.43 1wf9 n ASN 47 Cb 1.85 -0.80 -0.02 0.00 -1.54 0.00 0.00 39.78 39.28 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 -3.73 1.73 -3.71 3.52 6.02 0.56 -3.82 117.38 117.95 1wf9 n GLN 48 Ca -0.37 0.61 -0.28 0.00 -0.01 0.00 0.00 57.00 56.95 1wf9 n GLN 48 Cb 0.94 -2.13 -0.16 0.00 1.02 0.00 0.00 30.24 29.91 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 0.17 5.09 2.01 0.43 -4.86 115.64 118.21 1wf9 s THR 49 Ca 0.61 -0.66 -0.22 0.00 0.31 0.00 0.00 61.69 61.74 1wf9 s THR 49 Cb -0.66 -1.08 -0.08 0.00 0.01 0.00 0.00 72.50 70.69 1wf9 s THR 49 CO 0.57 -0.32 0.72 -0.76 -0.69 0.00 0.00 174.62 174.15 1wf9 s LEU 50 N 1.87 4.48 -0.28 4.42 2.01 -1.26 -0.78 118.68 129.15 1wf9 s LEU 50 Ca 0.01 1.49 -0.22 0.00 0.01 0.00 0.00 54.13 55.42 1wf9 s LEU 50 Cb -0.17 -3.34 0.09 0.00 0.01 0.00 0.00 46.19 42.78 1wf9 s LEU 50 CO -0.13 0.15 0.81 -0.55 1.01 0.00 0.00 176.35 177.65 1wf9 s SER 51 N -1.34 -0.70 -0.13 2.29 0.15 -0.86 -4.32 113.70 108.79 1wf9 s SER 51 Ca 0.37 1.27 0.06 0.00 0.70 0.00 0.00 55.95 58.35 1wf9 s SER 51 Cb -0.20 1.29 0.37 0.00 -1.71 0.00 0.00 66.02 65.77 1wf9 s SER 51 CO 0.23 -0.21 1.14 0.35 1.20 0.00 0.00 173.24 175.95 1wf9 n THR 52 N 3.03 1.42 -4.69 6.45 -2.24 -1.26 -2.29 114.28 114.70 1wf9 n THR 52 Ca -0.15 -0.69 -0.24 0.00 -2.27 0.00 0.00 64.05 60.69 1wf9 n THR 52 Cb 0.56 -0.46 -0.16 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.31 1.83 0.33 3.42 3.84 -1.26 -5.00 114.94 117.78 1wf9 s ASN 53 Ca 0.26 -0.29 0.26 0.00 0.21 0.00 0.00 52.86 53.29 1wf9 s ASN 53 Cb 0.20 -0.46 1.09 0.00 -0.55 0.00 0.00 41.25 41.54 1wf9 s ASN 53 CO 0.07 0.13 1.78 0.08 -2.79 0.00 0.00 177.10 176.37 1wf9 h ARG 54 N 6.22 0.00 0.00 0.43 0.11 -2.00 -2.33 114.38 116.81 1wf9 h ARG 54 Ca -0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.75 1wf9 h ARG 54 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1wf9 h ARG 54 CO 0.48 0.00 0.00 -0.91 0.10 0.00 0.00 179.97 179.64 1wf9 h ASN 55 N 0.00 0.00 -0.41 0.08 2.35 -1.97 -1.34 115.58 114.30 1wf9 h ASN 55 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wf9 h ASN 55 Cb 0.38 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1wf9 h ASN 55 CO 0.00 0.00 0.26 0.25 -1.65 0.00 0.00 177.43 176.29 1wf9 h LEU 56 N 0.00 0.48 -0.83 1.61 5.85 -1.80 0.13 115.31 120.75 1wf9 h LEU 56 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1wf9 h LEU 56 Cb 0.04 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1wf9 h LEU 56 CO 0.00 0.37 0.00 0.18 -0.34 0.00 0.00 178.44 178.65 1wf9 n LEU 57 N -4.78 0.46 0.04 2.25 4.32 -0.50 -1.10 117.00 117.69 1wf9 n LEU 57 Ca 0.01 0.67 -0.15 0.00 -0.02 0.00 0.00 56.01 56.51 1wf9 n LEU 57 Cb 0.04 -0.66 -0.14 0.00 -1.62 0.00 0.00 43.42 41.04 1wf9 n LEU 57 CO 0.35 -0.68 -0.42 -0.07 -1.22 0.00 0.00 177.39 175.35 1wf9 h LEU 58 N 0.00 0.30 -9.43 2.23 3.38 -0.85 -3.46 115.31 107.48 1wf9 h LEU 58 Ca 0.00 -0.47 -0.56 0.00 0.09 0.00 0.00 57.88 56.94 1wf9 h LEU 58 Cb 0.16 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 40.84 1wf9 h LEU 58 CO 0.00 1.40 1.09 0.00 0.09 0.00 0.00 178.44 181.03 1wf9 n ALA 59 N -2.68 1.68 -0.04 1.53 0.00 -0.26 -4.83 120.51 115.91 1wf9 n ALA 59 Ca -0.18 0.30 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 1wf9 n ALA 59 Cb 1.04 -2.56 -0.07 0.00 0.00 0.00 0.00 19.45 17.86 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 5.95 2.43 -2.96 0.00 5.02 -1.26 -4.95 118.16 122.39 1wf9 n LYS 60 Ca 0.19 -0.01 -0.18 0.00 -2.02 0.00 0.00 58.31 56.29 1wf9 n LYS 60 Cb 0.35 -1.22 0.03 0.00 -0.02 0.00 0.00 35.03 34.17 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 -4.02 5.43 -0.03 4.39 0.01 -1.26 -5.05 113.70 113.17 1wf9 s SER 61 Ca -0.04 -0.48 -0.23 0.00 1.31 0.00 0.00 55.95 56.50 1wf9 s SER 61 Cb 0.03 -0.42 -0.22 0.00 0.21 0.00 0.00 66.02 65.62 1wf9 s SER 61 CO 0.36 -0.99 1.08 1.55 0.41 0.00 0.00 173.24 175.65 1wf9 h PRO 62 N 0.42 0.22 -0.80 12.44 0.13 -1.99 -3.09 132.00 139.33 1wf9 h PRO 62 Ca -0.37 -0.22 0.16 0.00 -0.87 0.00 0.00 66.00 64.70 1wf9 h PRO 62 Cb 1.28 0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.41 1wf9 h PRO 62 CO 0.44 0.92 0.53 0.77 -0.23 0.00 0.00 178.00 180.43 1wf9 h SER 63 N -0.39 0.39 -0.10 1.44 0.02 -1.98 0.48 113.55 113.41 1wf9 h SER 63 Ca -0.03 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1wf9 h SER 63 Cb 1.00 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 1wf9 h SER 63 CO 0.06 0.19 0.03 -0.78 -1.14 0.00 0.00 176.83 175.19 1wf9 h ASP 64 N 0.41 0.14 0.25 3.07 1.82 -1.96 -1.95 116.42 118.20 1wf9 h ASP 64 Ca 0.40 -0.19 -0.00 0.00 -0.39 0.00 0.00 57.03 56.85 1wf9 h ASP 64 Cb 0.95 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.92 1wf9 h ASP 64 CO -0.13 0.29 -0.00 -0.26 -1.61 0.00 0.00 179.24 177.52 1wf9 h PHE 65 N -0.02 0.00 0.00 0.28 0.04 -0.87 0.15 116.94 116.52 1wf9 h PHE 65 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1wf9 h PHE 65 Cb 0.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1wf9 h PHE 65 CO -0.01 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.98 1wf9 n LEU 66 N -3.10 0.09 0.11 1.54 4.77 -0.50 -2.14 117.00 117.77 1wf9 n LEU 66 Ca -0.02 0.52 -0.02 0.00 -0.03 0.00 0.00 56.01 56.46 1wf9 n LEU 66 Cb 0.13 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 40.76 1wf9 n LEU 66 CO 0.22 -0.19 0.37 0.00 -1.33 0.00 0.00 177.39 176.45 1wf9 h ALA 67 N 2.64 0.65 -2.92 -1.18 0.00 -0.68 -3.42 119.26 114.35 1wf9 h ALA 67 Ca 0.00 -0.66 -0.64 0.00 0.00 0.00 0.00 54.91 53.61 1wf9 h ALA 67 Cb 0.36 -0.12 -0.17 0.00 0.00 0.00 0.00 17.79 17.86 1wf9 h ALA 67 CO 0.00 0.90 -0.53 -0.06 0.00 0.00 0.00 179.25 179.56 1wf9 s PHE 68 N -3.09 3.21 -0.31 0.00 0.08 -0.91 -4.92 117.98 112.04 1wf9 s PHE 68 Ca 0.01 0.07 0.18 0.00 0.12 0.00 0.00 56.93 57.31 1wf9 s PHE 68 Cb 0.10 -2.36 0.46 0.00 -0.57 0.00 0.00 43.02 40.65 1wf9 s PHE 68 CO 0.77 -0.16 1.29 0.25 -0.10 0.00 0.00 175.22 177.27 1wf9 n THR 69 N 4.99 0.64 0.09 0.64 -2.24 -1.26 -4.91 114.28 112.23 1wf9 n THR 69 Ca -0.14 -2.05 -0.20 0.00 -2.27 0.00 0.00 64.05 59.38 1wf9 n THR 69 Cb 0.52 1.11 -0.12 0.00 -2.10 0.00 0.00 70.33 69.74 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 1.95 0.80 -1.37 3.42 5.19 -1.92 -3.34 116.42 121.15 1wf9 h ASP 70 Ca -0.27 -0.73 -0.57 0.00 -0.62 0.00 0.00 57.03 54.85 1wf9 h ASP 70 Cb 1.28 -0.25 -0.42 0.00 0.18 0.00 0.00 39.33 40.12 1wf9 h ASP 70 CO 0.04 1.54 -0.78 0.23 -3.12 0.00 0.00 179.24 177.15 1wf9 n MET 71 N -3.76 3.30 -0.01 3.56 2.81 -1.26 -4.71 117.12 117.04 1wf9 n MET 71 Ca -0.12 -4.37 -0.12 0.00 -1.81 0.00 0.00 57.70 51.28 1wf9 n MET 71 Cb 0.96 -2.19 -0.14 0.00 -0.71 0.00 0.00 33.22 31.15 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 2.55 0.67 -2.27 3.04 0.00 -1.87 -3.43 119.26 117.96 1wf9 h ALA 72 Ca 0.28 -1.43 -0.55 0.00 0.00 0.00 0.00 54.91 53.21 1wf9 h ALA 72 Cb 1.03 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1wf9 h ALA 72 CO 0.81 1.50 0.90 0.34 0.00 0.00 0.00 179.25 182.80 1wf9 s ASP 73 N -6.36 6.86 0.36 0.00 2.15 -1.26 -4.88 116.67 113.55 1wf9 s ASP 73 Ca -0.09 1.97 0.27 0.00 0.43 0.00 0.00 52.55 55.13 1wf9 s ASP 73 Cb 0.08 -2.55 0.89 0.00 -0.30 0.00 0.00 42.92 41.04 1wf9 s ASP 73 CO 0.81 -0.77 1.77 1.55 -0.17 0.00 0.00 175.17 178.37 1wf9 h PRO 74 N 8.30 0.00 -0.02 4.34 0.13 -1.93 -2.39 132.00 140.42 1wf9 h PRO 74 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1wf9 h PRO 74 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1wf9 h PRO 74 CO 0.93 0.00 -0.03 0.09 -0.23 0.00 0.00 178.00 178.77 1wf9 n ASN 75 N -2.66 1.86 -4.78 1.44 3.02 -1.26 -2.31 115.26 110.57 1wf9 n ASN 75 Ca 0.03 -1.59 -0.39 0.00 -0.03 0.00 0.00 54.58 52.61 1wf9 n ASN 75 Cb 0.37 0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.50 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 -2.04 4.54 0.32 3.41 2.96 -0.90 -4.90 118.68 122.07 1wf9 s LEU 76 Ca 0.34 1.67 -0.03 0.00 -0.22 0.00 0.00 54.13 55.89 1wf9 s LEU 76 Cb 0.21 -3.45 -0.04 0.00 0.50 0.00 0.00 46.19 43.40 1wf9 s LEU 76 CO 0.34 0.15 0.57 -0.13 -1.32 0.00 0.00 176.35 175.96 1wf9 s ARG 77 N -1.36 3.58 0.00 1.98 0.52 -1.26 0.00 118.95 122.41 1wf9 s ARG 77 Ca 0.39 -0.08 0.22 0.00 -0.52 0.00 0.00 55.73 55.74 1wf9 s ARG 77 Cb -0.22 -2.63 0.96 0.00 0.52 0.00 0.00 34.95 33.58 1wf9 s ARG 77 CO 0.26 0.16 1.72 0.44 0.02 0.00 0.00 175.30 177.90 1wf9 n ILE 78 N -1.29 0.45 0.25 1.52 -5.35 -1.23 -2.56 119.36 111.15 1wf9 n ILE 78 Ca -0.02 0.11 0.13 0.00 -0.27 0.00 0.00 62.75 62.70 1wf9 n ILE 78 Cb 0.55 -0.73 0.65 0.00 -1.74 0.00 0.00 39.64 38.37 1wf9 n ILE 78 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1wf9 h SER 79 N 0.00 0.00 0.05 7.28 4.64 -1.87 0.19 113.55 123.84 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 0.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1wf9 h SER 79 CO 0.00 0.13 -0.04 -1.28 -0.87 0.00 0.00 176.83 174.77 1wf9 h SER 80 N 0.00 0.00 0.00 4.97 0.87 -1.91 -2.44 113.55 115.04 1wf9 h SER 80 Ca -0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1wf9 h SER 80 Cb 0.51 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1wf9 h SER 80 CO 0.02 0.04 -1.72 0.18 -0.53 0.00 0.00 176.83 174.81 1wf9 n LEU 81 N -4.31 0.00 -2.02 2.23 4.77 -0.83 -5.03 117.00 111.82 1wf9 n LEU 81 Ca -0.03 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.89 1wf9 n LEU 81 Cb 0.12 0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1wf9 n LEU 81 CO 0.33 0.11 0.03 -3.20 -1.33 0.00 0.00 177.39 173.33 1wf9 n ASN 82 N -2.15 -2.81 -4.55 -1.43 5.15 0.61 -4.94 115.26 105.13 1wf9 n ASN 82 Ca -0.09 -0.25 -0.41 0.00 -0.60 0.00 0.00 54.58 53.24 1wf9 n ASN 82 Cb 0.56 -2.23 -0.03 0.00 -0.53 0.00 0.00 39.78 37.54 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 -3.74 3.20 0.57 1.20 2.01 -1.10 -4.99 118.68 115.82 1wf9 s LEU 83 Ca 0.08 -0.35 0.03 0.00 0.01 0.00 0.00 54.13 53.90 1wf9 s LEU 83 Cb -0.01 -2.62 0.05 0.00 0.01 0.00 0.00 46.19 43.62 1wf9 s LEU 83 CO 0.27 -1.83 0.79 0.00 1.01 0.00 0.00 176.35 176.59 1wf9 s ALA 84 N 5.84 4.05 -0.20 4.21 0.00 -1.26 -4.91 121.76 129.50 1wf9 s ALA 84 Ca 0.38 -1.56 -0.28 0.00 0.00 0.00 0.00 51.96 50.50 1wf9 s ALA 84 Cb -0.08 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.06 1wf9 s ALA 84 CO 0.16 -0.83 2.20 -1.58 0.00 0.00 0.00 175.76 175.72 1wf9 s HIS 85 N -2.76 1.16 0.00 0.00 2.46 -1.26 -0.08 115.29 114.81 1wf9 s HIS 85 Ca 0.59 0.45 0.00 0.00 0.47 0.00 0.00 55.06 56.58 1wf9 s HIS 85 Cb -0.09 -3.95 0.00 0.00 -0.13 0.00 0.00 32.58 28.41 1wf9 s HIS 85 CO 0.39 -4.23 0.00 0.41 -2.47 0.00 0.00 174.74 168.83 1wf9 n GLY 86 N 5.66 1.97 3.22 1.59 0.00 -1.08 -4.99 105.19 111.57 1wf9 n GLY 86 Ca 0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.60 -4.68 1.61 2.88 0.89 -4.72 113.62 107.01 1wf9 n SER 87 Ca 0.00 -0.05 -0.33 0.00 -1.33 0.00 0.00 58.87 57.16 1wf9 n SER 87 Cb 0.00 -0.88 -0.09 0.00 -0.75 0.00 0.00 64.21 62.49 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 -3.12 2.81 -0.12 -1.46 -2.45 -1.26 -3.29 119.30 110.40 1wf9 s MET 88 Ca 0.52 -0.58 -0.16 0.00 -1.25 0.00 0.00 55.69 54.21 1wf9 s MET 88 Cb -0.08 -2.68 0.04 0.00 1.25 0.00 0.00 34.83 33.36 1wf9 s MET 88 CO 0.67 0.64 0.43 0.08 1.05 0.00 0.00 175.02 177.88 1wf9 s VAL 89 N -1.04 0.01 -0.11 10.11 1.01 -0.47 -4.95 120.40 124.96 1wf9 s VAL 89 Ca 0.18 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1wf9 s VAL 89 Cb -0.11 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 1wf9 s VAL 89 CO 0.09 -0.06 -0.16 -0.31 0.00 0.00 0.00 175.10 174.66 1wf9 s TYR 90 N -0.20 2.72 -0.03 5.22 2.02 -0.97 0.20 117.35 126.31 1wf9 s TYR 90 Ca -0.04 -0.64 0.04 0.00 -0.37 0.00 0.00 57.07 56.07 1wf9 s TYR 90 Cb -0.03 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 1wf9 s TYR 90 CO 0.02 -0.18 -0.16 -1.17 -1.57 0.00 0.00 175.55 172.49 1wf9 s LEU 91 N 0.14 2.66 -0.05 -1.29 2.96 0.51 -2.02 118.68 121.59 1wf9 s LEU 91 Ca -0.08 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1wf9 s LEU 91 Cb -0.15 -1.54 0.03 0.00 0.50 0.00 0.00 46.19 45.03 1wf9 s LEU 91 CO 0.05 0.33 0.04 0.00 -1.32 0.00 0.00 176.35 175.45 1wf9 s ALA 92 N -0.75 0.37 0.07 5.97 0.00 0.04 -4.02 121.76 123.44 1wf9 s ALA 92 Ca 0.12 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.17 1wf9 s ALA 92 Cb -0.11 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1wf9 s ALA 92 CO 0.01 -0.44 -0.00 1.52 0.00 0.00 0.00 175.76 176.85 1wf9 s TYR 93 N 1.99 0.60 -0.02 0.00 1.13 -1.25 0.16 117.35 119.97 1wf9 s TYR 93 Ca 0.03 -1.10 -0.02 0.00 -1.41 0.00 0.00 57.07 54.57 1wf9 s TYR 93 Cb -0.12 -0.41 -0.04 0.00 -1.10 0.00 0.00 41.96 40.29 1wf9 s TYR 93 CO -0.04 -0.42 0.13 -1.83 -2.51 0.00 0.00 175.55 170.89 1wf9 s GLU 94 N -3.95 3.27 0.20 -3.49 -1.05 -1.26 -4.99 118.70 107.43 1wf9 s GLU 94 Ca 0.11 -0.37 0.00 0.00 -0.15 0.00 0.00 54.97 54.56 1wf9 s GLU 94 Cb 0.08 -3.00 0.00 0.00 -0.44 0.00 0.00 34.13 30.77 1wf9 s GLU 94 CO -0.07 0.67 0.00 0.41 0.95 0.00 0.00 175.26 177.22 1wf9 n GLY 95 N 1.15 -1.99 2.50 -3.83 0.00 -1.26 -4.94 105.19 96.83 1wf9 n GLY 95 Ca -0.13 -1.33 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.01 -1.42 -2.00 1.61 0.28 -1.26 -5.07 120.64 109.77 1wf9 n GLU 96 Ca -0.01 -1.31 -0.29 0.00 -0.16 0.00 0.00 57.16 55.39 1wf9 n GLU 96 Cb 0.31 -0.98 0.19 0.00 1.43 0.00 0.00 31.44 32.39 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 -4.85 0.55 0.06 3.44 0.52 -1.26 -4.95 118.95 112.46 1wf9 s ARG 97 Ca 0.50 -0.56 0.01 0.00 -0.52 0.00 0.00 55.73 55.15 1wf9 s ARG 97 Cb -0.02 -1.88 0.01 0.00 0.52 0.00 0.00 34.95 33.57 1wf9 s ARG 97 CO 0.36 -2.44 0.07 0.25 0.02 0.00 0.00 175.30 173.56 1wf9 n THR 98 N -3.74 0.00 -3.24 0.02 -2.24 0.30 -5.03 114.28 100.36 1wf9 n THR 98 Ca 0.16 -0.19 -0.39 0.00 -2.27 0.00 0.00 64.05 61.37 1wf9 n THR 98 Cb 0.59 -0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 67.93 1wf9 n THR 98 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1wf9 s ILE 99 N 0.45 5.03 0.57 2.28 1.01 -1.26 -4.94 121.20 124.34 1wf9 s ILE 99 Ca 0.05 1.15 -0.05 0.00 0.00 0.00 0.00 60.65 61.80 1wf9 s ILE 99 Cb -0.00 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.58 1wf9 s ILE 99 CO 0.03 0.37 0.87 0.00 0.00 0.00 0.00 174.94 176.21 1wf9 s ARG 100 N 0.18 2.97 0.10 2.79 1.04 -1.26 -5.07 118.95 119.70 1wf9 s ARG 100 Ca 0.30 -0.05 0.02 0.00 -1.04 0.00 0.00 55.73 54.96 1wf9 s ARG 100 Cb -0.17 -2.31 -0.04 0.00 -2.04 0.00 0.00 34.95 30.39 1wf9 s ARG 100 CO 0.15 -0.63 -0.07 0.20 -0.04 0.00 0.00 175.30 174.91 1wf9 s GLY 101 N -4.29 0.77 -0.36 3.88 0.00 -1.26 -5.12 107.32 100.94 1wf9 s GLY 101 Ca 0.53 -1.28 0.07 0.00 0.00 0.00 0.00 44.72 44.03 1wf9 s GLY 101 CO 0.44 -1.38 0.63 -0.45 0.00 0.00 0.00 173.10 172.34 1wf9 s SER 102 N -2.84 -1.54 0.45 1.64 0.15 -1.26 -5.16 113.70 105.14 1wf9 s SER 102 Ca 0.09 -0.42 -0.08 0.00 0.70 0.00 0.00 55.95 56.25 1wf9 s SER 102 Cb 0.03 1.95 -0.05 0.00 -1.71 0.00 0.00 66.02 66.24 1wf9 s SER 102 CO -0.03 -0.21 0.78 -0.83 1.20 0.00 0.00 173.24 174.15 1wf9 s GLY 103 N 2.21 1.73 -0.23 9.45 0.00 -1.26 -5.02 107.32 114.20 1wf9 s GLY 103 Ca 0.14 -0.35 -0.29 0.00 0.00 0.00 0.00 44.72 44.22 1wf9 s GLY 103 CO -0.14 -0.17 1.31 2.56 0.00 0.00 0.00 173.10 176.66 1wf9 s PRO 104 N -4.30 4.06 -0.30 2.90 0.04 -1.26 -4.94 135.00 131.19 1wf9 s PRO 104 Ca 0.49 1.48 -0.15 0.00 0.04 0.00 0.00 61.00 62.86 1wf9 s PRO 104 Cb -0.10 -3.84 0.18 0.00 0.04 0.00 0.00 34.50 30.78 1wf9 s PRO 104 CO 0.38 -0.94 1.10 0.45 0.04 0.00 0.00 177.00 178.04 1wf9 s SER 105 N 2.52 -0.37 -0.88 6.66 0.15 -1.26 -5.10 113.70 115.43 1wf9 s SER 105 Ca 0.57 0.34 -0.12 0.00 0.70 0.00 0.00 55.95 57.43 1wf9 s SER 105 Cb -0.20 1.35 0.23 0.00 -1.71 0.00 0.00 66.02 65.69 1wf9 s SER 105 CO 0.20 -0.07 0.82 -0.44 1.20 0.00 0.00 173.24 174.95 1wf9 s SER 106 N 2.65 6.79 0.00 5.45 0.01 -1.26 -5.26 113.70 122.08 1wf9 s SER 106 Ca -0.02 -2.89 0.00 0.00 1.31 0.00 0.00 55.95 54.35 1wf9 s SER 106 Cb -0.07 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1wf9 s SER 106 CO -0.13 -0.50 0.15 0.61 0.41 0.00 0.00 173.24 173.78