#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 6.38 -0.82 1.61 0.01 -1.26 -4.91 113.70 114.70 1wf9 s SER 2 Ca 0.00 -1.53 -0.15 0.00 1.31 0.00 0.00 55.95 55.57 1wf9 s SER 2 Cb 0.00 -2.57 0.19 0.00 0.21 0.00 0.00 66.02 63.85 1wf9 s SER 2 CO 0.00 -1.62 0.82 -0.44 0.41 0.00 0.00 173.24 172.41 1wf9 s SER 3 N 5.22 6.67 0.00 2.44 0.01 -1.26 -4.92 113.70 121.86 1wf9 s SER 3 Ca 0.50 -2.44 0.00 0.00 1.31 0.00 0.00 55.95 55.32 1wf9 s SER 3 Cb -0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1wf9 s SER 3 CO -0.06 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.48 1wf9 n GLY 4 N 4.43 1.45 3.54 3.44 0.00 -1.26 -5.16 105.19 111.63 1wf9 n GLY 4 Ca 0.13 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 1wf9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wf9 s SER 5 N 2.00 1.50 -0.14 1.61 0.15 -1.26 -5.01 113.70 112.55 1wf9 s SER 5 Ca 0.00 1.62 -0.13 0.00 0.70 0.00 0.00 55.95 58.14 1wf9 s SER 5 Cb 0.00 -2.32 -0.06 0.00 -1.71 0.00 0.00 66.02 61.93 1wf9 s SER 5 CO 0.00 -3.89 -0.27 -1.20 1.20 0.00 0.00 173.24 169.08 1wf9 n SER 6 N -4.72 1.67 0.00 5.45 7.64 -1.26 -5.08 113.62 117.32 1wf9 n SER 6 Ca 0.05 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1wf9 n SER 6 Cb 0.54 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 1.86 0.73 3.84 0.23 0.00 -1.26 -4.57 105.19 106.01 1wf9 n GLY 7 Ca -0.20 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 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 4.95 -0.04 2.61 2.01 -1.22 -4.96 115.64 118.99 1wf9 s THR 8 Ca 0.00 0.88 0.06 0.00 0.31 0.00 0.00 61.69 62.94 1wf9 s THR 8 Cb 0.00 -3.75 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 1wf9 s THR 8 CO 0.00 0.50 -0.23 -0.32 -0.69 0.00 0.00 174.62 173.88 1wf9 s MET 9 N -1.28 2.23 0.22 4.92 1.75 -1.26 -0.04 119.30 125.83 1wf9 s MET 9 Ca 0.28 -0.83 0.11 0.00 -1.25 0.00 0.00 55.69 54.00 1wf9 s MET 9 Cb -0.17 -1.96 -0.05 0.00 2.84 0.00 0.00 34.83 35.50 1wf9 s MET 9 CO 0.16 0.39 -0.22 -0.51 -0.65 0.00 0.00 175.02 174.18 1wf9 s LEU 10 N -0.22 2.49 -0.27 4.11 1.43 -0.64 -3.76 118.68 121.81 1wf9 s LEU 10 Ca -0.00 -0.93 -0.14 0.00 -1.03 0.00 0.00 54.13 52.03 1wf9 s LEU 10 Cb -0.12 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1wf9 s LEU 10 CO 0.02 0.08 0.32 -0.13 0.23 0.00 0.00 176.35 176.87 1wf9 s ARG 11 N -2.99 4.00 -0.32 1.70 0.52 -1.24 -2.39 118.95 118.24 1wf9 s ARG 11 Ca 0.24 -0.06 0.01 0.00 -0.52 0.00 0.00 55.73 55.40 1wf9 s ARG 11 Cb -0.07 -3.65 0.08 0.00 0.52 0.00 0.00 34.95 31.83 1wf9 s ARG 11 CO 0.11 -0.24 0.01 0.08 0.02 0.00 0.00 175.30 175.29 1wf9 s VAL 12 N 1.95 2.59 -0.14 3.52 1.01 0.31 -0.79 120.40 128.85 1wf9 s VAL 12 Ca 0.13 -1.84 -0.29 0.00 0.00 0.00 0.00 61.98 59.97 1wf9 s VAL 12 Cb -0.16 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 1wf9 s VAL 12 CO 0.10 -0.32 1.04 -0.60 0.00 0.00 0.00 175.10 175.32 1wf9 s ARG 13 N 1.09 4.36 0.33 2.72 6.06 0.11 0.18 118.95 133.80 1wf9 s ARG 13 Ca 0.00 1.42 0.04 0.00 -2.50 0.00 0.00 55.73 54.69 1wf9 s ARG 13 Cb -0.20 -3.58 -0.06 0.00 0.06 0.00 0.00 34.95 31.17 1wf9 s ARG 13 CO -0.05 -0.43 0.05 -1.54 -2.50 0.00 0.00 175.30 170.84 1wf9 s SER 14 N 1.19 2.49 0.15 -2.12 1.04 0.45 0.17 113.70 117.07 1wf9 s SER 14 Ca 0.48 -1.37 -0.24 0.00 0.48 0.00 0.00 55.95 55.29 1wf9 s SER 14 Cb -0.18 -0.11 0.03 0.00 0.10 0.00 0.00 66.02 65.86 1wf9 s SER 14 CO 0.15 -0.59 1.60 0.03 0.98 0.00 0.00 173.24 175.41 1wf9 h ARG 15 N 2.09 -0.29 -0.97 4.02 3.08 -1.96 0.20 114.38 120.54 1wf9 h ARG 15 Ca -0.41 0.02 0.31 0.00 0.07 0.00 0.00 59.98 59.97 1wf9 h ARG 15 Cb 1.24 0.07 -0.15 0.00 0.08 0.00 0.00 29.97 31.21 1wf9 h ARG 15 CO 0.70 -0.19 0.45 -0.44 -1.07 0.00 0.00 179.97 179.42 1wf9 h ASP 16 N -0.30 0.31 0.00 7.04 5.19 -1.97 -3.46 116.42 123.22 1wf9 h ASP 16 Ca 0.14 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 1wf9 h ASP 16 Cb 0.54 0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1wf9 h ASP 16 CO -0.48 -0.18 0.00 0.61 -3.12 0.00 0.00 179.24 176.07 1wf9 n GLY 17 N -1.32 -0.69 2.82 2.75 0.00 0.69 -5.08 105.19 104.36 1wf9 n GLY 17 Ca 0.29 0.36 -0.30 0.00 0.00 0.00 0.00 46.02 46.37 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 2.52 0.17 0.99 2.96 -1.26 -0.41 118.68 123.65 1wf9 s LEU 18 Ca 0.00 -1.48 0.04 0.00 -0.22 0.00 0.00 54.13 52.47 1wf9 s LEU 18 Cb 0.00 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 1wf9 s LEU 18 CO 0.00 -0.35 0.25 -1.61 -1.32 0.00 0.00 176.35 173.31 1wf9 s GLU 19 N 1.50 3.26 0.21 1.98 2.02 0.13 -4.93 118.70 122.86 1wf9 s GLU 19 Ca 0.05 -0.72 0.10 0.00 0.02 0.00 0.00 54.97 54.42 1wf9 s GLU 19 Cb -0.18 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.16 1wf9 s GLU 19 CO -0.16 0.50 -0.20 -0.98 0.02 0.00 0.00 175.26 174.44 1wf9 s ARG 20 N -3.30 1.48 -0.00 1.61 1.70 -1.26 0.11 118.95 119.29 1wf9 s ARG 20 Ca 0.33 -1.57 -0.03 0.00 -0.47 0.00 0.00 55.73 53.99 1wf9 s ARG 20 Cb -0.10 -1.61 -0.00 0.00 -0.57 0.00 0.00 34.95 32.66 1wf9 s ARG 20 CO 0.27 0.32 0.06 0.08 -1.08 0.00 0.00 175.30 174.95 1wf9 s VAL 21 N -2.14 0.07 -0.13 4.99 1.01 -1.00 -4.92 120.40 118.28 1wf9 s VAL 21 Ca 0.22 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 1wf9 s VAL 21 Cb -0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 1wf9 s VAL 21 CO 0.10 -0.30 0.29 -0.55 0.00 0.00 0.00 175.10 174.64 1wf9 s SER 22 N -0.94 6.48 0.00 3.32 0.15 -1.26 -1.62 113.70 119.82 1wf9 s SER 22 Ca -0.10 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1wf9 s SER 22 Cb -0.06 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1wf9 s SER 22 CO 0.00 0.17 0.00 1.33 1.20 0.00 0.00 173.24 175.95 1wf9 n VAL 23 N 3.11 0.00 -0.09 4.45 0.24 0.94 -4.97 118.33 122.01 1wf9 n VAL 23 Ca -0.13 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.00 1wf9 n VAL 23 Cb 0.52 -0.03 -0.07 0.00 -1.47 0.00 0.00 33.84 32.80 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 -0.90 1.68 0.00 -1.34 8.00 -1.26 -3.38 116.55 119.36 1wf9 n ASP 24 Ca 0.00 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1wf9 n ASP 24 Cb 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 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 2.13 -1.33 0.18 0.44 0.00 -1.26 -4.54 105.19 100.81 1wf9 n GLY 25 Ca -0.33 -1.02 0.05 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.05 1.61 0.13 -1.98 -3.02 132.00 128.69 1wf9 h PRO 26 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 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 0.39 0.39 1.12 -0.23 0.00 0.00 178.00 179.66 1wf9 h HIS 27 N 0.00 0.00 -3.77 1.56 2.07 -2.01 -3.38 115.15 109.62 1wf9 h HIS 27 Ca -0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.02 1wf9 h HIS 27 Cb 1.05 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.04 1wf9 h HIS 27 CO 0.00 0.00 0.16 0.96 -3.07 0.00 0.00 177.93 175.98 1wf9 s ILE 28 N -4.15 4.77 0.44 6.12 -5.25 -1.14 -5.04 121.20 116.95 1wf9 s ILE 28 Ca -0.03 0.63 0.08 0.00 -0.99 0.00 0.00 60.65 60.34 1wf9 s ILE 28 Cb 0.09 -3.76 0.01 0.00 2.95 0.00 0.00 42.46 41.75 1wf9 s ILE 28 CO 0.29 -0.63 0.56 0.42 -1.79 0.00 0.00 174.94 173.79 1wf9 s THR 29 N -2.51 2.82 0.20 8.37 -4.23 -1.26 -3.59 115.64 115.44 1wf9 s THR 29 Ca 0.52 -1.06 -0.12 0.00 -1.18 0.00 0.00 61.69 59.85 1wf9 s THR 29 Cb -0.10 -2.88 0.13 0.00 1.34 0.00 0.00 72.50 70.98 1wf9 s THR 29 CO 0.35 0.00 1.72 0.58 -0.54 0.00 0.00 174.62 176.72 1wf9 h VAL 30 N 0.65 0.70 -0.66 2.29 2.07 0.01 -0.31 116.25 121.00 1wf9 h VAL 30 Ca -0.39 -0.09 0.14 0.00 0.82 0.00 0.00 66.70 67.18 1wf9 h VAL 30 Cb 1.28 0.42 -0.12 0.00 -1.52 0.00 0.00 31.29 31.35 1wf9 h VAL 30 CO 0.47 0.05 -0.08 0.77 0.02 0.00 0.00 177.57 178.79 1wf9 h SER 31 N 0.26 -0.46 0.29 0.57 4.64 -1.76 1.00 113.55 118.10 1wf9 h SER 31 Ca 0.27 0.18 -0.05 0.00 -0.47 0.00 0.00 61.79 61.73 1wf9 h SER 31 Cb 0.38 0.35 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1wf9 h SER 31 CO -0.35 -0.18 -0.23 1.56 -0.87 0.00 0.00 176.83 176.76 1wf9 h GLN 32 N 0.05 0.00 0.19 4.77 4.20 -1.40 -2.05 115.11 120.87 1wf9 h GLN 32 Ca 0.33 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 1wf9 h GLN 32 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1wf9 h GLN 32 CO -0.62 0.23 -0.09 1.25 -0.67 0.00 0.00 178.83 178.93 1wf9 h LEU 33 N 0.00 -0.22 -0.11 1.46 5.85 0.22 -2.79 115.31 119.72 1wf9 h LEU 33 Ca -0.00 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.43 1wf9 h LEU 33 Cb 0.44 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1wf9 h LEU 33 CO 0.03 0.30 -0.49 0.11 -0.34 0.00 0.00 178.44 178.05 1wf9 h LYS 34 N -0.84 -0.51 -0.89 1.25 1.57 0.41 -1.28 116.57 116.27 1wf9 h LYS 34 Ca -0.03 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 1wf9 h LYS 34 Cb 0.52 0.12 -0.15 0.00 0.08 0.00 0.00 32.23 32.80 1wf9 h LYS 34 CO 0.04 -0.34 -0.39 1.15 -0.57 0.00 0.00 179.45 179.34 1wf9 h THR 35 N -0.53 0.04 0.00 -0.16 2.02 -1.47 1.75 112.91 114.56 1wf9 h THR 35 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1wf9 h THR 35 Cb 0.61 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1wf9 h THR 35 CO -0.39 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.68 1wf9 n LEU 36 N -5.45 0.00 -0.24 2.58 4.77 -0.56 0.14 117.00 118.24 1wf9 n LEU 36 Ca 0.08 0.97 0.03 0.00 -0.03 0.00 0.00 56.01 57.06 1wf9 n LEU 36 Cb 0.38 -0.47 0.16 0.00 -2.33 0.00 0.00 43.42 41.16 1wf9 n LEU 36 CO -0.10 -0.47 1.01 0.40 -1.33 0.00 0.00 177.39 176.90 1wf9 h ILE 37 N 0.00 0.70 -0.59 -0.08 2.04 -0.47 0.76 117.51 119.86 1wf9 h ILE 37 Ca 0.00 -0.15 0.16 0.00 1.00 0.00 0.00 64.86 65.87 1wf9 h ILE 37 Cb 0.00 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 1wf9 h ILE 37 CO 0.00 0.08 0.42 -0.61 0.00 0.00 0.00 178.15 178.04 1wf9 h GLN 38 N 0.44 0.05 0.00 2.37 -0.00 0.41 1.17 115.11 119.56 1wf9 h GLN 38 Ca 0.38 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.02 1wf9 h GLN 38 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.00 1wf9 h GLN 38 CO -0.37 0.04 -0.17 0.22 0.00 0.00 0.00 178.83 178.55 1wf9 h ASP 39 N 0.06 0.00 -0.33 -0.69 1.82 0.62 0.52 116.42 118.42 1wf9 h ASP 39 Ca 0.28 0.00 0.07 0.00 -0.39 0.00 0.00 57.03 56.99 1wf9 h ASP 39 Cb 1.05 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 40.98 1wf9 h ASP 39 CO -0.02 0.31 -0.36 1.56 -1.61 0.00 0.00 179.24 179.12 1wf9 h GLN 40 N -0.45 -0.31 0.00 0.28 4.20 0.37 0.37 115.11 119.57 1wf9 h GLN 40 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1wf9 h GLN 40 Cb 0.17 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1wf9 h GLN 40 CO 0.00 -0.20 0.00 -0.07 -0.67 0.00 0.00 178.83 177.89 1wf9 h LEU 41 N -0.32 0.00 -0.93 1.46 3.38 0.12 -3.44 115.31 115.59 1wf9 h LEU 41 Ca 0.14 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.81 1wf9 h LEU 41 Cb 0.56 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.42 1wf9 h LEU 41 CO -0.50 0.00 -0.53 0.00 0.09 0.00 0.00 178.44 177.50 1wf9 n GLN 42 N -2.76 -6.15 -4.70 1.13 1.13 0.13 -4.72 117.38 101.44 1wf9 n GLN 42 Ca 0.03 0.64 -0.32 0.00 -1.94 0.00 0.00 57.00 55.41 1wf9 n GLN 42 Cb 0.40 -5.12 -0.12 0.00 0.11 0.00 0.00 30.24 25.50 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 -3.25 3.18 0.08 5.09 1.01 0.17 -2.27 121.20 125.21 1wf9 s ILE 43 Ca 0.43 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 1wf9 s ILE 43 Cb -0.19 -2.31 -0.06 0.00 0.01 0.00 0.00 42.46 39.91 1wf9 s ILE 43 CO 0.57 0.47 1.15 -2.16 0.00 0.00 0.00 174.94 174.97 1wf9 s PRO 44 N -1.11 4.48 0.12 2.79 0.04 -1.26 -3.91 135.00 136.15 1wf9 s PRO 44 Ca 0.14 1.72 -0.32 0.00 0.04 0.00 0.00 61.00 62.58 1wf9 s PRO 44 Cb -0.11 -3.34 -0.11 0.00 0.04 0.00 0.00 34.50 30.98 1wf9 s PRO 44 CO 0.04 -0.17 1.53 0.82 0.04 0.00 0.00 177.00 179.26 1wf9 h ILE 45 N 4.38 0.00 -1.95 0.56 2.04 -1.91 1.84 117.51 122.47 1wf9 h ILE 45 Ca -0.42 0.00 0.57 0.00 1.00 0.00 0.00 64.86 66.00 1wf9 h ILE 45 Cb 1.21 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.22 1wf9 h ILE 45 CO 0.79 0.00 1.42 0.00 0.00 0.00 0.00 178.15 180.35 1wf9 n HIS 46 N -5.30 0.00 -0.09 1.37 1.44 -1.26 0.12 115.22 111.50 1wf9 n HIS 46 Ca -0.04 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.44 1wf9 n HIS 46 Cb 0.34 -0.49 -0.12 0.00 0.12 0.00 0.00 29.99 29.85 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 -3.89 1.95 -4.62 4.39 4.13 0.29 -4.93 115.26 112.59 1wf9 n ASN 47 Ca 0.44 0.32 -0.46 0.00 1.68 0.00 0.00 54.58 56.56 1wf9 n ASN 47 Cb 2.00 -0.88 -0.03 0.00 -1.54 0.00 0.00 39.78 39.34 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 -4.10 1.55 -3.69 3.52 6.02 0.55 -3.86 117.38 117.36 1wf9 n GLN 48 Ca -0.38 0.55 -0.28 0.00 -0.01 0.00 0.00 57.00 56.88 1wf9 n GLN 48 Cb 0.83 -2.07 -0.16 0.00 1.02 0.00 0.00 30.24 29.86 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 -0.44 0.49 -0.01 5.09 2.01 0.05 -4.84 115.64 117.98 1wf9 s THR 49 Ca 0.67 -0.84 -0.23 0.00 0.31 0.00 0.00 61.69 61.60 1wf9 s THR 49 Cb -0.73 -1.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1wf9 s THR 49 CO 0.54 -0.46 0.67 -0.76 -0.69 0.00 0.00 174.62 173.92 1wf9 s LEU 50 N 1.84 4.39 -0.25 4.42 2.01 -1.26 -1.46 118.68 128.37 1wf9 s LEU 50 Ca 0.04 1.24 -0.26 0.00 0.01 0.00 0.00 54.13 55.16 1wf9 s LEU 50 Cb -0.17 -3.05 0.09 0.00 0.01 0.00 0.00 46.19 43.07 1wf9 s LEU 50 CO -0.19 0.00 0.84 -0.55 1.01 0.00 0.00 176.35 177.47 1wf9 s SER 51 N 0.20 -0.62 -0.32 2.29 0.15 -1.11 -4.14 113.70 110.16 1wf9 s SER 51 Ca 0.35 1.13 0.01 0.00 0.70 0.00 0.00 55.95 58.14 1wf9 s SER 51 Cb -0.19 1.13 0.32 0.00 -1.71 0.00 0.00 66.02 65.58 1wf9 s SER 51 CO 0.19 -0.25 1.76 0.35 1.20 0.00 0.00 173.24 176.49 1wf9 n THR 52 N 2.29 2.58 -3.99 6.45 -2.24 -1.26 -0.92 114.28 117.18 1wf9 n THR 52 Ca -0.14 -1.47 -0.12 0.00 -2.27 0.00 0.00 64.05 60.06 1wf9 n THR 52 Cb 0.56 -0.99 -0.12 0.00 -2.10 0.00 0.00 70.33 67.68 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 -0.25 0.36 0.31 3.42 3.84 -1.26 -4.96 114.94 116.40 1wf9 s ASN 53 Ca 0.35 -0.32 0.16 0.00 0.21 0.00 0.00 52.86 53.25 1wf9 s ASN 53 Cb 0.28 0.04 0.31 0.00 -0.55 0.00 0.00 41.25 41.33 1wf9 s ASN 53 CO 0.03 -0.15 1.56 0.08 -2.79 0.00 0.00 177.10 175.83 1wf9 h ARG 54 N 5.21 0.00 -0.26 0.43 0.11 -2.00 -3.07 114.38 114.81 1wf9 h ARG 54 Ca -0.30 0.00 0.07 0.00 0.10 0.00 0.00 59.98 59.85 1wf9 h ARG 54 Cb 1.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 1wf9 h ARG 54 CO 0.45 0.49 0.51 -0.91 0.10 0.00 0.00 179.97 180.60 1wf9 h ASN 55 N 0.00 0.00 -0.99 0.08 2.35 -1.98 0.44 115.58 115.48 1wf9 h ASN 55 Ca -0.00 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 55.88 1wf9 h ASN 55 Cb 1.21 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.49 1wf9 h ASN 55 CO 0.06 0.00 0.62 0.25 -1.65 0.00 0.00 177.43 176.72 1wf9 h LEU 56 N 0.00 0.87 -1.32 1.61 6.46 -1.92 0.88 115.31 121.89 1wf9 h LEU 56 Ca 0.12 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.91 1wf9 h LEU 56 Cb 1.13 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.94 1wf9 h LEU 56 CO -0.00 0.45 -0.13 -0.07 -0.62 0.00 0.00 178.44 178.07 1wf9 h LEU 57 N 0.93 0.00 0.01 2.25 3.38 -0.37 -2.52 115.31 118.98 1wf9 h LEU 57 Ca 0.50 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.21 1wf9 h LEU 57 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1wf9 h LEU 57 CO -0.27 0.13 -1.13 0.17 0.09 0.00 0.00 178.44 177.43 1wf9 h LEU 58 N 0.00 0.46 -9.16 1.67 8.10 0.60 -3.44 115.31 113.54 1wf9 h LEU 58 Ca -0.00 -0.44 -0.58 0.00 0.11 0.00 0.00 57.88 56.97 1wf9 h LEU 58 Cb 0.62 -0.15 0.01 0.00 -0.44 0.00 0.00 40.66 40.70 1wf9 h LEU 58 CO 0.02 1.30 1.31 0.00 -4.11 0.00 0.00 178.44 176.96 1wf9 n ALA 59 N -2.54 1.50 -0.03 0.17 0.00 0.35 -4.78 120.51 115.17 1wf9 n ALA 59 Ca -0.08 0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 1wf9 n ALA 59 Cb 0.95 -2.72 -0.07 0.00 0.00 0.00 0.00 19.45 17.61 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 7.84 1.60 -2.93 0.00 4.76 -1.26 -4.90 118.16 123.27 1wf9 n LYS 60 Ca 0.25 -0.04 -0.25 0.00 -2.87 0.00 0.00 58.31 55.40 1wf9 n LYS 60 Cb 0.39 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 1wf9 n LYS 60 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1wf9 s SER 61 N -3.72 6.05 0.36 4.39 1.04 -1.26 -5.00 113.70 115.56 1wf9 s SER 61 Ca -0.04 0.56 0.19 0.00 0.48 0.00 0.00 55.95 57.13 1wf9 s SER 61 Cb 0.04 -1.88 0.51 0.00 0.10 0.00 0.00 66.02 64.78 1wf9 s SER 61 CO 0.39 -0.60 1.65 1.55 0.98 0.00 0.00 173.24 177.21 1wf9 h PRO 62 N 0.38 0.00 0.03 4.02 0.13 -2.01 -3.04 132.00 131.52 1wf9 h PRO 62 Ca -0.47 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 1wf9 h PRO 62 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1wf9 h PRO 62 CO 0.60 0.38 -1.07 1.03 -0.23 0.00 0.00 178.00 178.71 1wf9 h SER 63 N 0.00 0.12 -0.27 1.44 0.87 -2.00 -3.27 113.55 110.44 1wf9 h SER 63 Ca -0.00 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1wf9 h SER 63 Cb 1.05 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 1wf9 h SER 63 CO 0.05 1.10 0.14 -0.78 -0.53 0.00 0.00 176.83 176.80 1wf9 h ASP 64 N 0.02 0.34 -0.18 6.23 1.82 -1.93 -1.58 116.42 121.14 1wf9 h ASP 64 Ca -0.04 -0.11 0.05 0.00 -0.39 0.00 0.00 57.03 56.54 1wf9 h ASP 64 Cb 1.82 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 41.74 1wf9 h ASP 64 CO 0.15 0.35 0.20 -0.26 -1.61 0.00 0.00 179.24 178.07 1wf9 h PHE 65 N 0.31 0.00 0.00 0.28 0.04 -1.60 0.61 116.94 116.58 1wf9 h PHE 65 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1wf9 h PHE 65 Cb 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1wf9 h PHE 65 CO -0.03 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.96 1wf9 n LEU 66 N -3.82 0.00 0.10 1.54 4.77 -0.59 -1.77 117.00 117.22 1wf9 n LEU 66 Ca 0.01 0.48 -0.05 0.00 -0.03 0.00 0.00 56.01 56.43 1wf9 n LEU 66 Cb 0.32 -0.48 0.10 0.00 -2.33 0.00 0.00 43.42 41.02 1wf9 n LEU 66 CO 0.28 -0.26 0.43 0.00 -1.33 0.00 0.00 177.39 176.51 1wf9 h ALA 67 N 2.49 0.80 -2.03 -1.18 0.00 0.20 -3.39 119.26 116.15 1wf9 h ALA 67 Ca 0.00 -0.59 -0.71 0.00 0.00 0.00 0.00 54.91 53.61 1wf9 h ALA 67 Cb 0.23 -0.09 -0.20 0.00 0.00 0.00 0.00 17.79 17.73 1wf9 h ALA 67 CO 0.00 0.79 0.35 -0.06 0.00 0.00 0.00 179.25 180.33 1wf9 s PHE 68 N -3.58 3.12 -0.41 0.00 0.08 -0.73 -4.87 117.98 111.60 1wf9 s PHE 68 Ca -0.03 -1.20 0.05 0.00 0.12 0.00 0.00 56.93 55.88 1wf9 s PHE 68 Cb 0.12 -4.08 0.43 0.00 -0.57 0.00 0.00 43.02 38.91 1wf9 s PHE 68 CO 0.80 -1.34 1.19 0.25 -0.10 0.00 0.00 175.22 176.02 1wf9 n THR 69 N 5.32 2.49 -0.08 0.64 -2.24 -1.26 -4.71 114.28 114.44 1wf9 n THR 69 Ca 0.04 -4.63 -0.22 0.00 -2.27 0.00 0.00 64.05 56.96 1wf9 n THR 69 Cb 0.45 -1.22 -0.12 0.00 -2.10 0.00 0.00 70.33 67.34 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 -0.57 1.95 -2.37 3.42 8.00 -1.26 -4.44 116.55 121.27 1wf9 n ASP 70 Ca 0.42 0.34 -0.29 0.00 0.71 0.00 0.00 54.79 55.97 1wf9 n ASP 70 Cb 0.75 -0.91 0.02 0.00 -0.02 0.00 0.00 41.12 40.97 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 -4.12 3.31 -0.01 -1.24 2.81 -1.26 -4.64 117.12 111.97 1wf9 n MET 71 Ca -0.35 -4.11 -0.21 0.00 -1.81 0.00 0.00 57.70 51.22 1wf9 n MET 71 Cb 0.81 -2.27 -0.14 0.00 -0.71 0.00 0.00 33.22 30.92 1wf9 n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wf9 n ALA 72 N -0.62 0.95 -1.94 3.04 0.00 -1.26 -4.68 120.51 116.00 1wf9 n ALA 72 Ca 0.46 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 1wf9 n ALA 72 Cb 0.70 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 1wf9 n ALA 72 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wf9 s ASP 73 N -6.98 6.62 0.47 0.00 2.15 -1.26 -4.86 116.67 112.82 1wf9 s ASP 73 Ca -0.24 2.33 0.27 0.00 0.43 0.00 0.00 52.55 55.34 1wf9 s ASP 73 Cb 0.07 -2.53 0.80 0.00 -0.30 0.00 0.00 42.92 40.96 1wf9 s ASP 73 CO 0.74 -0.95 1.77 1.55 -0.17 0.00 0.00 175.17 178.12 1wf9 h PRO 74 N 9.65 0.00 -0.25 4.34 0.13 -1.95 -2.50 132.00 141.42 1wf9 h PRO 74 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1wf9 h PRO 74 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wf9 h PRO 74 CO 0.95 0.07 0.00 0.09 -0.23 0.00 0.00 178.00 178.88 1wf9 n ASN 75 N -3.14 1.91 -4.81 1.44 3.02 -1.26 -2.74 115.26 109.67 1wf9 n ASN 75 Ca 0.02 -1.82 -0.38 0.00 -0.03 0.00 0.00 54.58 52.36 1wf9 n ASN 75 Cb 0.44 -0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.39 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 -1.38 4.48 0.02 3.41 2.96 -0.94 -4.92 118.68 122.32 1wf9 s LEU 76 Ca 0.31 1.13 -0.12 0.00 -0.22 0.00 0.00 54.13 55.22 1wf9 s LEU 76 Cb 0.16 -2.79 -0.06 0.00 0.50 0.00 0.00 46.19 44.01 1wf9 s LEU 76 CO 0.24 0.25 0.39 -0.13 -1.32 0.00 0.00 176.35 175.77 1wf9 s ARG 77 N -0.87 3.82 0.59 1.98 0.52 -1.26 0.52 118.95 124.25 1wf9 s ARG 77 Ca 0.27 0.28 0.29 0.00 -0.52 0.00 0.00 55.73 56.05 1wf9 s ARG 77 Cb -0.18 -3.13 1.71 0.00 0.52 0.00 0.00 34.95 33.87 1wf9 s ARG 77 CO 0.16 0.64 2.13 -0.84 0.02 0.00 0.00 175.30 177.42 1wf9 h ILE 78 N 3.38 0.45 -0.38 1.52 3.07 -1.73 0.15 117.51 123.97 1wf9 h ILE 78 Ca -0.51 0.00 0.08 0.00 1.55 0.00 0.00 64.86 65.99 1wf9 h ILE 78 Cb 1.21 0.87 -0.02 0.00 -0.27 0.00 0.00 36.82 38.61 1wf9 h ILE 78 CO 0.63 0.00 0.26 -1.28 -1.05 0.00 0.00 178.15 176.71 1wf9 h SER 79 N 0.00 0.11 -0.80 2.16 0.87 -1.86 0.76 113.55 114.80 1wf9 h SER 79 Ca 0.07 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.76 1wf9 h SER 79 Cb 0.39 -0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 62.24 1wf9 h SER 79 CO -0.00 0.07 0.40 -1.28 -0.53 0.00 0.00 176.83 175.49 1wf9 h SER 80 N 0.13 0.48 0.77 6.23 0.87 -1.08 0.17 113.55 121.11 1wf9 h SER 80 Ca 0.17 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1wf9 h SER 80 Cb 0.53 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1wf9 h SER 80 CO -0.02 0.22 -0.76 -0.07 -0.53 0.00 0.00 176.83 175.68 1wf9 h LEU 81 N 0.60 0.00 -2.50 2.23 3.38 -1.28 -3.49 115.31 114.26 1wf9 h LEU 81 Ca 0.42 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1wf9 h LEU 81 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1wf9 h LEU 81 CO -0.34 0.12 -0.16 0.59 0.09 0.00 0.00 178.44 178.74 1wf9 n ASN 82 N -2.12 -6.43 -4.40 -0.43 3.02 0.58 -5.00 115.26 100.48 1wf9 n ASN 82 Ca 0.03 0.14 -0.36 0.00 -0.03 0.00 0.00 54.58 54.35 1wf9 n ASN 82 Cb 0.45 -4.29 -0.13 0.00 -0.61 0.00 0.00 39.78 35.20 1wf9 n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wf9 s LEU 83 N -2.97 3.38 0.30 3.41 1.43 -1.21 -5.02 118.68 118.00 1wf9 s LEU 83 Ca 0.08 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 1wf9 s LEU 83 Cb -0.02 -1.87 -0.06 0.00 0.03 0.00 0.00 46.19 44.26 1wf9 s LEU 83 CO 0.57 -0.06 -0.06 0.00 0.23 0.00 0.00 176.35 177.04 1wf9 s ALA 84 N 1.57 2.52 -0.47 4.21 0.00 -1.26 -4.87 121.76 123.45 1wf9 s ALA 84 Ca 0.06 -1.97 -0.36 0.00 0.00 0.00 0.00 51.96 49.69 1wf9 s ALA 84 Cb -0.15 0.16 -0.14 0.00 0.00 0.00 0.00 23.12 22.99 1wf9 s ALA 84 CO 0.02 -0.05 2.26 1.58 0.00 0.00 0.00 175.76 179.57 1wf9 n HIS 85 N -0.65 1.36 0.00 0.00 -0.00 -1.26 0.19 115.22 114.86 1wf9 n HIS 85 Ca -0.05 0.38 0.00 0.00 0.46 0.00 0.00 57.72 58.51 1wf9 n HIS 85 Cb 0.64 -2.47 0.00 0.00 -0.12 0.00 0.00 29.99 28.04 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 6.69 2.54 3.11 1.57 0.00 -1.25 -5.04 105.19 112.82 1wf9 n GLY 86 Ca 0.47 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.86 -4.35 1.61 2.88 0.13 -4.83 113.62 106.19 1wf9 n SER 87 Ca 0.00 -0.04 -0.29 0.00 -1.33 0.00 0.00 58.87 57.22 1wf9 n SER 87 Cb 0.00 -0.70 -0.14 0.00 -0.75 0.00 0.00 64.21 62.63 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 -2.58 1.53 0.04 -1.46 -2.45 -1.26 -3.72 119.30 109.39 1wf9 s MET 88 Ca 0.44 -1.21 -0.19 0.00 -1.25 0.00 0.00 55.69 53.48 1wf9 s MET 88 Cb 0.01 -1.86 0.04 0.00 1.25 0.00 0.00 34.83 34.27 1wf9 s MET 88 CO 0.67 0.46 0.43 0.08 1.05 0.00 0.00 175.02 177.71 1wf9 s VAL 89 N -0.95 0.05 0.23 10.11 1.01 0.03 -4.87 120.40 126.01 1wf9 s VAL 89 Ca 0.12 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 61.80 1wf9 s VAL 89 Cb -0.10 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1wf9 s VAL 89 CO 0.04 -0.22 -0.10 -0.31 0.00 0.00 0.00 175.10 174.51 1wf9 s TYR 90 N -2.32 2.55 -0.04 5.22 2.02 -0.09 0.04 117.35 124.73 1wf9 s TYR 90 Ca -0.06 -0.26 -0.02 0.00 -0.37 0.00 0.00 57.07 56.36 1wf9 s TYR 90 Cb -0.01 -1.17 0.03 0.00 -0.40 0.00 0.00 41.96 40.40 1wf9 s TYR 90 CO -0.01 0.60 0.06 -1.17 -1.57 0.00 0.00 175.55 173.45 1wf9 s LEU 91 N -3.28 0.17 -0.16 -1.29 2.96 0.44 -2.76 118.68 114.75 1wf9 s LEU 91 Ca 0.28 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1wf9 s LEU 91 Cb -0.07 -0.14 0.02 0.00 0.50 0.00 0.00 46.19 46.50 1wf9 s LEU 91 CO 0.16 -0.25 -0.17 0.00 -1.32 0.00 0.00 176.35 174.77 1wf9 s ALA 92 N 2.14 2.10 0.28 5.97 0.00 -0.54 -4.23 121.76 127.49 1wf9 s ALA 92 Ca 0.05 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1wf9 s ALA 92 Cb -0.12 -1.11 -0.06 0.00 0.00 0.00 0.00 23.12 21.84 1wf9 s ALA 92 CO -0.03 -0.34 0.07 1.52 0.00 0.00 0.00 175.76 176.98 1wf9 s TYR 93 N 1.35 1.68 -0.11 0.00 1.13 -1.25 -0.77 117.35 119.37 1wf9 s TYR 93 Ca 0.04 -1.08 -0.04 0.00 -1.41 0.00 0.00 57.07 54.59 1wf9 s TYR 93 Cb -0.13 -1.02 -0.03 0.00 -1.10 0.00 0.00 41.96 39.67 1wf9 s TYR 93 CO -0.11 -0.19 0.03 -2.00 -2.51 0.00 0.00 175.55 170.77 1wf9 s GLU 94 N -3.97 3.25 0.48 -3.49 2.12 -1.26 -4.98 118.70 110.86 1wf9 s GLU 94 Ca 0.36 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.32 1wf9 s GLU 94 Cb 0.08 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.55 1wf9 s GLU 94 CO 0.14 0.61 0.00 0.41 -0.54 0.00 0.00 175.26 175.88 1wf9 n GLY 95 N 2.43 -3.93 2.99 -1.50 0.00 -1.26 -4.91 105.19 99.01 1wf9 n GLY 95 Ca -0.18 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.77 1wf9 n GLY 95 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wf9 n GLU 96 N -2.21 -2.35 -1.69 1.61 0.28 -1.26 -4.94 120.64 110.08 1wf9 n GLU 96 Ca 0.00 -0.70 -0.30 0.00 -0.16 0.00 0.00 57.16 56.00 1wf9 n GLU 96 Cb 0.35 -1.45 0.06 0.00 1.43 0.00 0.00 31.44 31.82 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 -3.48 2.73 0.00 3.44 0.52 -1.26 -5.02 118.95 115.87 1wf9 s ARG 97 Ca 0.33 0.69 0.00 0.00 -0.52 0.00 0.00 55.73 56.24 1wf9 s ARG 97 Cb -0.06 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.43 1wf9 s ARG 97 CO 0.29 -1.18 0.00 0.25 0.02 0.00 0.00 175.30 174.68 1wf9 n THR 98 N -3.15 0.00 -2.57 0.02 -2.24 -0.96 -5.00 114.28 100.38 1wf9 n THR 98 Ca 0.07 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.53 1wf9 n THR 98 Cb 0.55 -0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 68.03 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 -0.60 4.59 -0.67 2.28 1.01 -1.26 -4.37 121.20 122.18 1wf9 s ILE 99 Ca 0.00 1.08 -0.07 0.00 0.00 0.00 0.00 60.65 61.66 1wf9 s ILE 99 Cb 0.00 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.77 1wf9 s ILE 99 CO 0.00 -0.60 0.65 0.54 0.00 0.00 0.00 174.94 175.53 1wf9 n ARG 100 N -1.39 -1.64 -0.00 2.79 1.74 -1.26 -4.97 116.66 111.92 1wf9 n ARG 100 Ca 0.05 1.42 -0.00 0.00 -0.77 0.00 0.00 57.85 58.55 1wf9 n ARG 100 Cb 0.54 -4.45 -0.00 0.00 -1.02 0.00 0.00 32.46 27.53 1wf9 n ARG 100 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1wf9 h GLY 101 N 0.73 -0.02 0.16 -0.13 0.00 -1.92 -3.40 103.07 98.49 1wf9 h GLY 101 Ca -0.23 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1wf9 h GLY 101 CO 0.29 -0.01 -0.34 1.76 0.00 0.00 0.00 176.54 178.24 1wf9 h SER 102 N -0.30 -1.00 -4.26 0.19 0.02 -1.93 -3.44 113.55 102.83 1wf9 h SER 102 Ca -0.00 0.10 0.33 0.00 -0.84 0.00 0.00 61.79 61.38 1wf9 h SER 102 Cb 0.02 0.36 -0.20 0.00 0.14 0.00 0.00 62.40 62.72 1wf9 h SER 102 CO 0.00 -0.39 0.96 -0.83 -1.14 0.00 0.00 176.83 175.44 1wf9 s GLY 103 N -1.77 -0.24 -1.02 -3.77 0.00 -1.26 -5.08 107.32 94.18 1wf9 s GLY 103 Ca -0.11 1.78 -0.23 0.00 0.00 0.00 0.00 44.72 46.16 1wf9 s GLY 103 CO 0.39 0.58 1.73 2.56 0.00 0.00 0.00 173.10 178.36 1wf9 s PRO 104 N -2.08 3.11 0.11 2.90 0.04 -1.26 -4.92 135.00 132.91 1wf9 s PRO 104 Ca 0.12 -0.90 -0.34 0.00 0.04 0.00 0.00 61.00 59.92 1wf9 s PRO 104 Cb -0.00 -5.25 -0.14 0.00 0.04 0.00 0.00 34.50 29.15 1wf9 s PRO 104 CO -0.03 -2.86 1.62 0.43 0.04 0.00 0.00 177.00 176.20 1wf9 n SER 105 N 11.40 3.06 -4.75 6.66 7.64 -1.26 -4.93 113.62 131.43 1wf9 n SER 105 Ca 0.39 1.07 -0.40 0.00 1.01 0.00 0.00 58.87 60.93 1wf9 n SER 105 Cb 0.48 -1.40 -0.05 0.00 -1.01 0.00 0.00 64.21 62.23 1wf9 n SER 105 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wf9 s SER 106 N 1.45 7.34 0.00 6.43 0.01 -1.26 -5.25 113.70 122.42 1wf9 s SER 106 Ca 0.82 1.59 0.00 0.00 1.31 0.00 0.00 55.95 59.67 1wf9 s SER 106 Cb -0.70 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.02 1wf9 s SER 106 CO 0.41 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.75