#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ao8 s ALA 2 N 0.00 -0.55 0.37 2.41 0.00 -0.73 -4.23 121.76 119.03 1ao8 s ALA 2 Ca 0.00 0.90 -0.25 0.00 0.00 0.00 0.00 51.96 52.61 1ao8 s ALA 2 Cb 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 23.12 22.46 1ao8 s ALA 2 CO 0.00 -0.17 1.02 -0.06 0.00 0.00 0.00 175.76 176.54 1ao8 s PHE 3 N 0.96 3.41 -0.23 0.00 0.40 -1.00 -2.25 117.98 119.26 1ao8 s PHE 3 Ca -0.07 1.68 -0.04 0.00 -0.60 0.00 0.00 56.93 57.91 1ao8 s PHE 3 Cb -0.08 -3.07 0.12 0.00 0.51 0.00 0.00 43.02 40.51 1ao8 s PHE 3 CO -0.06 -0.36 0.41 -1.17 0.70 0.00 0.00 175.22 174.73 1ao8 s LEU 4 N -2.43 -0.69 0.25 -0.37 2.96 -0.77 -0.50 118.68 117.12 1ao8 s LEU 4 Ca 0.55 0.51 -0.15 0.00 -0.22 0.00 0.00 54.13 54.82 1ao8 s LEU 4 Cb -0.21 1.26 0.00 0.00 0.50 0.00 0.00 46.19 47.75 1ao8 s LEU 4 CO 0.27 -0.28 0.54 -1.66 -1.32 0.00 0.00 176.35 173.90 1ao8 s TRP 5 N 2.59 0.20 -0.04 5.38 -2.14 -0.97 -4.36 118.94 119.61 1ao8 s TRP 5 Ca 0.09 -0.59 0.06 0.00 2.66 0.00 0.00 56.10 58.32 1ao8 s TRP 5 Cb -0.14 0.33 -0.01 0.00 -3.10 0.00 0.00 33.47 30.54 1ao8 s TRP 5 CO -0.15 -1.05 -0.21 0.00 -2.66 0.00 0.00 176.95 172.87 1ao8 s ALA 6 N -3.99 1.82 0.28 2.67 0.00 -1.26 -2.06 121.76 119.22 1ao8 s ALA 6 Ca 0.19 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 1ao8 s ALA 6 Cb -0.02 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 1ao8 s ALA 6 CO 0.08 0.39 0.34 1.14 0.00 0.00 0.00 175.76 177.71 1ao8 s GLN 7 N -0.25 1.59 0.00 0.00 -2.07 -0.74 -4.37 119.66 113.82 1ao8 s GLN 7 Ca 0.01 -1.64 0.00 0.00 -1.82 0.00 0.00 55.36 51.91 1ao8 s GLN 7 Cb -0.11 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 1ao8 s GLN 7 CO 0.01 -0.61 0.00 -0.40 -1.32 0.00 0.00 175.29 172.97 1ao8 n ASP 8 N -0.85 1.55 -0.16 12.60 5.75 -1.25 -1.61 116.55 132.58 1ao8 n ASP 8 Ca 0.02 -0.93 0.06 0.00 -0.01 0.00 0.00 54.79 53.93 1ao8 n ASP 8 Cb 0.63 0.00 0.35 0.00 -1.03 0.00 0.00 41.12 41.07 1ao8 n ASP 8 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1ao8 h ARG 9 N 0.00 0.73 0.29 0.11 0.11 -1.83 -3.07 114.38 110.72 1ao8 h ARG 9 Ca 0.00 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 1ao8 h ARG 9 Cb 0.00 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 30.92 1ao8 h ARG 9 CO 0.00 0.48 -0.14 -0.44 0.10 0.00 0.00 179.97 179.97 1ao8 h ASP 10 N 0.75 -0.33 0.00 0.08 5.19 -1.94 -3.49 116.42 116.69 1ao8 h ASP 10 Ca 0.29 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 1ao8 h ASP 10 Cb 0.19 0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.79 1ao8 h ASP 10 CO -0.09 0.09 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1ao8 n GLY 11 N 0.76 0.21 3.79 2.75 0.00 -1.16 -5.06 105.19 106.48 1ao8 n GLY 11 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1ao8 n GLY 11 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ao8 s LEU 12 N 0.00 4.30 -0.11 0.99 2.96 -1.26 -2.89 118.68 122.66 1ao8 s LEU 12 Ca 0.00 0.41 0.11 0.00 -0.22 0.00 0.00 54.13 54.43 1ao8 s LEU 12 Cb 0.00 -2.16 -0.15 0.00 0.50 0.00 0.00 46.19 44.38 1ao8 s LEU 12 CO 0.00 0.26 0.05 2.30 -1.32 0.00 0.00 176.35 177.64 1ao8 n ILE 13 N 2.85 0.79 -3.63 6.68 -5.35 -0.78 -3.86 119.36 116.06 1ao8 n ILE 13 Ca -0.17 -0.50 -0.06 0.00 -0.27 0.00 0.00 62.75 61.75 1ao8 n ILE 13 Cb 0.53 -0.66 -0.00 0.00 -1.74 0.00 0.00 39.64 37.77 1ao8 n ILE 13 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ao8 n GLY 14 N 2.25 1.98 3.05 3.28 0.00 -1.22 -4.86 105.19 109.68 1ao8 n GLY 14 Ca -0.19 -1.32 -0.01 0.00 0.00 0.00 0.00 46.02 44.50 1ao8 n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ao8 s LYS 15 N -2.24 0.48 -1.89 1.61 2.20 0.14 -3.67 119.74 116.37 1ao8 s LYS 15 Ca 0.12 0.69 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 1ao8 s LYS 15 Cb -0.02 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 1ao8 s LYS 15 CO 0.09 -0.74 0.00 -0.25 -0.36 0.00 0.00 175.35 174.09 1ao8 n ASP 16 N 5.40 -5.66 0.00 1.43 8.00 -1.26 -1.73 116.55 122.72 1ao8 n ASP 16 Ca -0.01 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1ao8 n ASP 16 Cb 0.51 -4.81 0.00 0.00 -0.02 0.00 0.00 41.12 36.80 1ao8 n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ao8 n GLY 17 N -0.79 2.66 3.92 0.44 0.00 -1.26 -5.01 105.19 105.14 1ao8 n GLY 17 Ca -0.23 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 1ao8 n GLY 17 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ao8 s HIS 18 N -0.74 3.53 0.47 1.61 -3.43 -0.71 -4.90 115.29 111.13 1ao8 s HIS 18 Ca 0.00 0.66 -0.23 0.00 -0.80 0.00 0.00 55.06 54.69 1ao8 s HIS 18 Cb 0.00 -2.16 -0.07 0.00 -1.43 0.00 0.00 32.58 28.92 1ao8 s HIS 18 CO 0.00 -0.11 1.23 -0.51 -2.00 0.00 0.00 174.74 173.35 1ao8 s LEU 19 N -4.46 4.00 0.08 5.38 1.43 -1.26 -0.69 118.68 123.15 1ao8 s LEU 19 Ca 0.45 2.45 -0.03 0.00 -1.03 0.00 0.00 54.13 55.98 1ao8 s LEU 19 Cb -0.10 -4.21 -0.27 0.00 0.03 0.00 0.00 46.19 41.63 1ao8 s LEU 19 CO 0.40 -1.07 1.16 1.55 0.23 0.00 0.00 176.35 178.62 1ao8 h PRO 20 N 1.97 0.23 0.00 1.29 0.13 -1.85 -3.44 132.00 130.33 1ao8 h PRO 20 Ca -0.50 -0.39 -0.23 0.00 -0.87 0.00 0.00 66.00 64.01 1ao8 h PRO 20 Cb 1.26 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.50 1ao8 h PRO 20 CO 0.60 1.19 -0.15 -2.67 -0.23 0.00 0.00 178.00 176.74 1ao8 n TRP 21 N -3.50 -0.19 -3.51 1.56 2.14 -1.26 -5.03 117.44 107.65 1ao8 n TRP 21 Ca -0.07 -0.88 -0.29 0.00 2.07 0.00 0.00 57.50 58.32 1ao8 n TRP 21 Cb 1.01 -0.14 -0.13 0.00 -0.81 0.00 0.00 31.31 31.24 1ao8 n TRP 21 CO 0.00 0.00 0.00 -1.58 2.07 0.00 0.00 177.69 178.18 1ao8 s HIS 22 N -1.40 0.60 -0.58 -2.67 2.46 -1.26 -5.06 115.29 107.38 1ao8 s HIS 22 Ca 0.04 -1.32 0.04 0.00 0.47 0.00 0.00 55.06 54.30 1ao8 s HIS 22 Cb -0.00 -0.95 0.16 0.00 -0.13 0.00 0.00 32.58 31.65 1ao8 s HIS 22 CO 0.03 -0.83 0.39 -1.17 -2.47 0.00 0.00 174.74 170.69 1ao8 s LEU 23 N 1.52 3.79 0.46 8.88 2.96 -1.26 -4.95 118.68 130.08 1ao8 s LEU 23 Ca 0.14 -3.39 0.29 0.00 -0.22 0.00 0.00 54.13 50.95 1ao8 s LEU 23 Cb -0.20 -1.32 1.36 0.00 0.50 0.00 0.00 46.19 46.53 1ao8 s LEU 23 CO -0.16 -0.15 1.73 -0.65 -1.32 0.00 0.00 176.35 175.80 1ao8 h PRO 24 N 5.83 0.17 -0.90 0.98 0.10 -2.00 0.26 132.00 136.43 1ao8 h PRO 24 Ca 0.11 -0.01 -0.02 0.00 0.10 0.00 0.00 66.00 66.18 1ao8 h PRO 24 Cb 0.83 -0.04 -0.04 0.00 0.10 0.00 0.00 31.00 31.85 1ao8 h PRO 24 CO 0.61 0.11 0.50 0.22 0.10 0.00 0.00 178.00 179.54 1ao8 h ASP 25 N 0.17 1.13 0.28 -2.05 1.82 -2.00 -1.54 116.42 114.22 1ao8 h ASP 25 Ca 0.66 -0.10 -0.06 0.00 -0.39 0.00 0.00 57.03 57.14 1ao8 h ASP 25 Cb 2.14 -0.29 -0.01 0.00 0.68 0.00 0.00 39.33 41.86 1ao8 h ASP 25 CO -0.21 0.90 -0.29 -0.78 -1.61 0.00 0.00 179.24 177.25 1ao8 h ASP 26 N 1.26 0.01 0.51 2.28 3.58 -0.91 -2.27 116.42 120.89 1ao8 h ASP 26 Ca 0.32 -0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.63 1ao8 h ASP 26 Cb 0.02 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1ao8 h ASP 26 CO -0.05 0.30 -0.61 -0.07 -2.88 0.00 0.00 179.24 175.93 1ao8 h LEU 27 N 0.01 0.11 -0.34 2.28 3.38 -1.24 -2.65 115.31 116.86 1ao8 h LEU 27 Ca -0.00 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1ao8 h LEU 27 Cb 0.52 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1ao8 h LEU 27 CO 0.04 0.70 -0.23 0.45 0.09 0.00 0.00 178.44 179.48 1ao8 h HIS 28 N 0.07 0.89 -0.11 1.13 3.86 -0.84 -2.53 115.15 117.61 1ao8 h HIS 28 Ca -0.01 -0.24 -0.08 0.00 -1.16 0.00 0.00 60.37 58.88 1ao8 h HIS 28 Cb 1.10 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.36 1ao8 h HIS 28 CO 0.01 0.99 -0.29 -0.92 0.86 0.00 0.00 177.93 178.58 1ao8 h TYR 29 N 0.54 0.24 -0.46 2.45 3.20 -1.45 -2.75 116.97 118.73 1ao8 h TYR 29 Ca 0.07 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 1ao8 h TYR 29 Cb 0.79 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 1ao8 h TYR 29 CO 0.06 0.49 -0.01 0.35 -1.64 0.00 0.00 178.16 177.41 1ao8 h PHE 30 N 0.19 0.90 -0.05 -3.82 3.57 -1.28 -1.46 116.94 114.99 1ao8 h PHE 30 Ca 0.03 -0.16 -0.04 0.00 3.53 0.00 0.00 57.97 61.33 1ao8 h PHE 30 Cb 0.62 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1ao8 h PHE 30 CO 0.01 0.87 -0.14 -0.09 -2.23 0.00 0.00 178.31 176.73 1ao8 h ARG 31 N 0.67 0.07 0.00 1.11 1.12 -1.19 -2.06 114.38 114.10 1ao8 h ARG 31 Ca 0.13 -0.01 -0.19 0.00 -1.11 0.00 0.00 59.98 58.80 1ao8 h ARG 31 Cb 0.52 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.44 1ao8 h ARG 31 CO 0.03 0.22 -0.89 0.00 -3.11 0.00 0.00 179.97 176.21 1ao8 h ALA 32 N 1.79 0.49 -0.89 2.80 0.00 -1.19 -2.73 119.26 119.54 1ao8 h ALA 32 Ca 0.01 -0.81 -0.56 0.00 0.00 0.00 0.00 54.91 53.55 1ao8 h ALA 32 Cb 0.30 -0.14 -0.26 0.00 0.00 0.00 0.00 17.79 17.68 1ao8 h ALA 32 CO 0.02 1.11 0.73 1.04 0.00 0.00 0.00 179.25 182.15 1ao8 n GLN 33 N -3.42 2.39 0.00 0.00 1.13 -0.59 -4.34 117.38 112.55 1ao8 n GLN 33 Ca -0.00 -2.85 0.00 0.00 -1.94 0.00 0.00 57.00 52.21 1ao8 n GLN 33 Cb 0.86 -2.12 0.00 0.00 0.11 0.00 0.00 30.24 29.10 1ao8 n GLN 33 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1ao8 n THR 34 N -0.73 0.00 -1.71 5.09 -2.24 -1.13 -4.97 114.28 108.58 1ao8 n THR 34 Ca 0.55 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.91 1ao8 n THR 34 Cb 0.90 -0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.95 1ao8 n THR 34 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ao8 s VAL 35 N -1.58 3.10 0.00 2.28 -7.23 -1.03 -1.37 120.40 114.56 1ao8 s VAL 35 Ca 0.00 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 1ao8 s VAL 35 Cb 0.00 -3.08 0.00 0.00 0.56 0.00 0.00 36.38 33.86 1ao8 s VAL 35 CO 0.00 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1ao8 n GLY 36 N 4.56 2.18 3.57 2.32 0.00 -1.19 -4.99 105.19 111.65 1ao8 n GLY 36 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1ao8 n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ao8 n LYS 37 N -0.21 0.71 -3.26 1.61 5.02 -0.47 -4.75 118.16 116.80 1ao8 n LYS 37 Ca 0.00 -3.13 -0.42 0.00 -2.02 0.00 0.00 58.31 52.73 1ao8 n LYS 37 Cb 0.00 0.20 -0.08 0.00 -0.02 0.00 0.00 35.03 35.13 1ao8 n LYS 37 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ao8 s ILE 38 N -2.50 5.01 -0.63 -0.18 1.01 -0.88 -3.52 121.20 119.52 1ao8 s ILE 38 Ca 0.36 -0.06 -0.28 0.00 0.00 0.00 0.00 60.65 60.67 1ao8 s ILE 38 Cb -0.03 -4.05 0.02 0.00 0.01 0.00 0.00 42.46 38.42 1ao8 s ILE 38 CO 0.23 -0.40 1.29 -0.32 0.00 0.00 0.00 174.94 175.74 1ao8 s MET 39 N 2.36 3.34 -0.17 2.79 1.75 -0.64 -1.97 119.30 126.76 1ao8 s MET 39 Ca 0.16 0.15 -0.14 0.00 -1.25 0.00 0.00 55.69 54.61 1ao8 s MET 39 Cb -0.16 -4.10 -0.05 0.00 2.84 0.00 0.00 34.83 33.36 1ao8 s MET 39 CO 0.15 -1.92 0.29 0.08 -0.65 0.00 0.00 175.02 172.97 1ao8 s VAL 40 N 5.58 5.30 0.36 10.11 1.01 0.14 -1.97 120.40 140.93 1ao8 s VAL 40 Ca 0.43 0.54 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 1ao8 s VAL 40 Cb -0.09 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1ao8 s VAL 40 CO 0.22 0.37 0.49 1.33 0.00 0.00 0.00 175.10 177.51 1ao8 n VAL 41 N 3.73 0.00 -2.87 2.92 0.24 -0.82 -2.47 118.33 119.06 1ao8 n VAL 41 Ca -0.12 -1.88 0.00 0.00 -2.04 0.00 0.00 64.34 60.30 1ao8 n VAL 41 Cb 0.52 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 34.03 1ao8 n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ao8 n GLY 42 N -0.60 1.83 0.19 7.63 0.00 -0.28 -2.06 105.19 111.90 1ao8 n GLY 42 Ca 0.01 -2.11 -0.21 0.00 0.00 0.00 0.00 46.02 43.71 1ao8 n GLY 42 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ao8 h ARG 43 N 0.00 0.67 -0.27 1.61 2.43 -1.92 -2.07 114.38 114.83 1ao8 h ARG 43 Ca 0.00 -0.79 -0.02 0.00 -0.81 0.00 0.00 59.98 58.36 1ao8 h ARG 43 Cb 0.00 0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1ao8 h ARG 43 CO 0.00 1.35 0.11 0.00 -1.51 0.00 0.00 179.97 179.92 1ao8 h ARG 44 N 0.34 0.41 -0.02 0.20 2.47 -1.95 -2.25 114.38 113.57 1ao8 h ARG 44 Ca -0.16 -0.08 -0.09 0.00 -1.26 0.00 0.00 59.98 58.40 1ao8 h ARG 44 Cb 1.79 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 30.03 1ao8 h ARG 44 CO 0.22 0.44 -0.41 1.15 0.56 0.00 0.00 179.97 181.93 1ao8 h THR 45 N 0.29 1.30 0.05 2.04 2.02 -1.89 -1.98 112.91 114.74 1ao8 h THR 45 Ca 0.09 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 65.83 1ao8 h THR 45 Cb 0.19 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1ao8 h THR 45 CO -0.01 0.41 -0.02 0.22 0.37 0.00 0.00 175.52 176.50 1ao8 h TYR 46 N 0.04 -0.06 0.00 3.16 3.20 -0.95 -2.48 116.97 119.88 1ao8 h TYR 46 Ca 0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1ao8 h TYR 46 Cb 0.75 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 1ao8 h TYR 46 CO 0.00 0.08 -0.12 0.93 -1.64 0.00 0.00 178.16 177.42 1ao8 h GLU 47 N -0.18 0.00 0.00 1.82 5.08 -1.33 -2.86 114.58 117.11 1ao8 h GLU 47 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1ao8 h GLU 47 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1ao8 h GLU 47 CO 0.01 0.12 -0.11 1.03 -1.00 0.00 0.00 179.01 179.06 1ao8 h SER 48 N 0.00 0.00 -4.28 1.42 0.87 -0.88 -3.43 113.55 107.26 1ao8 h SER 48 Ca -0.00 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.04 1ao8 h SER 48 Cb 0.64 0.00 0.13 0.00 -0.44 0.00 0.00 62.40 62.73 1ao8 h SER 48 CO 0.02 0.11 0.33 -0.36 -0.53 0.00 0.00 176.83 176.39 1ao8 s PHE 49 N -4.67 2.48 -0.09 2.24 0.08 -1.08 -5.00 117.98 111.94 1ao8 s PHE 49 Ca -0.04 1.58 -0.00 0.00 0.12 0.00 0.00 56.93 58.59 1ao8 s PHE 49 Cb 0.16 -3.12 -0.00 0.00 -0.57 0.00 0.00 43.02 39.48 1ao8 s PHE 49 CO 0.65 -1.89 -0.00 -1.00 -0.10 0.00 0.00 175.22 172.88 1ao8 h PRO 50 N -0.87 0.00 -4.41 0.24 0.13 -1.89 -3.43 132.00 121.78 1ao8 h PRO 50 Ca -0.44 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.96 1ao8 h PRO 50 Cb 1.24 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.11 1ao8 h PRO 50 CO 0.51 0.00 -0.42 0.21 -0.23 0.00 0.00 178.00 178.07 1ao8 s LYS 51 N -1.48 2.73 -0.11 0.86 2.20 -1.26 -5.07 119.74 117.61 1ao8 s LYS 51 Ca -0.00 -1.42 -0.03 0.00 -0.36 0.00 0.00 55.97 54.16 1ao8 s LYS 51 Cb 0.00 -3.89 -0.03 0.00 -1.51 0.00 0.00 37.83 32.39 1ao8 s LYS 51 CO 0.00 -0.97 0.02 1.03 -0.36 0.00 0.00 175.35 175.07 1ao8 s ARG 52 N 1.50 3.27 0.69 4.03 0.52 -1.26 -3.71 118.95 123.99 1ao8 s ARG 52 Ca 0.03 -0.38 -0.08 0.00 -0.52 0.00 0.00 55.73 54.78 1ao8 s ARG 52 Cb -0.23 -2.91 0.04 0.00 0.52 0.00 0.00 34.95 32.36 1ao8 s ARG 52 CO 0.04 0.58 1.03 -1.25 0.02 0.00 0.00 175.30 175.72 1ao8 s PRO 53 N -0.54 2.47 0.01 3.54 0.04 -1.26 -4.93 135.00 134.34 1ao8 s PRO 53 Ca 0.10 0.01 -0.30 0.00 0.04 0.00 0.00 61.00 60.85 1ao8 s PRO 53 Cb -0.12 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1ao8 s PRO 53 CO 0.02 -1.12 1.02 -0.51 0.04 0.00 0.00 177.00 176.45 1ao8 s LEU 54 N -5.26 4.37 0.82 -3.56 1.43 -1.24 -5.04 118.68 110.21 1ao8 s LEU 54 Ca 0.58 1.72 -0.12 0.00 -1.03 0.00 0.00 54.13 55.29 1ao8 s LEU 54 Cb -0.11 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.63 1ao8 s LEU 54 CO 0.47 -0.29 1.18 -2.16 0.23 0.00 0.00 176.35 175.78 1ao8 s PRO 55 N 0.98 1.84 -1.87 1.29 0.04 -1.26 -4.10 135.00 131.92 1ao8 s PRO 55 Ca 0.53 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1ao8 s PRO 55 Cb -0.22 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1ao8 s PRO 55 CO 0.28 -1.69 0.00 0.39 0.04 0.00 0.00 177.00 176.03 1ao8 n GLU 56 N -3.38 -1.56 -3.63 4.56 1.02 -1.26 -4.91 120.64 111.47 1ao8 n GLU 56 Ca 0.08 1.06 -0.03 0.00 -0.02 0.00 0.00 57.16 58.25 1ao8 n GLU 56 Cb 0.61 -5.61 -0.03 0.00 -0.02 0.00 0.00 31.44 26.39 1ao8 n GLU 56 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1ao8 s ARG 57 N -4.62 0.14 0.22 3.49 1.70 -1.26 -3.14 118.95 115.47 1ao8 s ARG 57 Ca 0.00 -0.03 -0.18 0.00 -0.47 0.00 0.00 55.73 55.05 1ao8 s ARG 57 Cb 0.00 0.06 -0.08 0.00 -0.57 0.00 0.00 34.95 34.36 1ao8 s ARG 57 CO 0.00 -0.06 0.68 0.99 -1.08 0.00 0.00 175.30 175.84 1ao8 s THR 58 N -1.92 4.65 -0.27 4.99 2.01 -1.23 -4.83 115.64 119.04 1ao8 s THR 58 Ca 0.10 1.13 -0.00 0.00 0.31 0.00 0.00 61.69 63.23 1ao8 s THR 58 Cb -0.01 -3.80 0.05 0.00 0.01 0.00 0.00 72.50 68.75 1ao8 s THR 58 CO -0.04 0.17 -0.06 0.20 -0.69 0.00 0.00 174.62 174.20 1ao8 s ASN 59 N -1.74 4.54 -0.38 3.53 0.01 -1.26 -1.61 114.94 118.02 1ao8 s ASN 59 Ca 0.43 -1.20 -0.05 0.00 -0.71 0.00 0.00 52.86 51.33 1ao8 s ASN 59 Cb -0.15 -1.64 0.08 0.00 0.41 0.00 0.00 41.25 39.95 1ao8 s ASN 59 CO 0.20 -0.20 0.17 -0.69 -1.51 0.00 0.00 177.10 175.07 1ao8 s VAL 60 N 1.22 3.57 -0.07 1.60 1.01 -0.83 0.11 120.40 127.01 1ao8 s VAL 60 Ca -0.05 -1.61 -0.17 0.00 0.00 0.00 0.00 61.98 60.15 1ao8 s VAL 60 Cb -0.19 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 1ao8 s VAL 60 CO -0.04 -0.45 0.46 -0.69 0.00 0.00 0.00 175.10 174.38 1ao8 s VAL 61 N 1.28 5.11 -0.21 2.92 1.01 -0.65 -1.94 120.40 127.92 1ao8 s VAL 61 Ca 0.03 0.93 0.02 0.00 0.00 0.00 0.00 61.98 62.95 1ao8 s VAL 61 Cb -0.22 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.41 1ao8 s VAL 61 CO -0.01 0.42 -0.17 -0.22 0.00 0.00 0.00 175.10 175.12 1ao8 s LEU 62 N -0.01 2.54 0.33 3.92 2.96 -0.88 -2.46 118.68 125.08 1ao8 s LEU 62 Ca 0.25 -0.89 0.04 0.00 -0.22 0.00 0.00 54.13 53.31 1ao8 s LEU 62 Cb -0.16 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1ao8 s LEU 62 CO 0.12 -0.06 0.15 0.28 -1.32 0.00 0.00 176.35 175.51 1ao8 s THR 63 N 1.24 0.44 -0.38 3.68 -1.32 -1.25 -3.73 115.64 114.33 1ao8 s THR 63 Ca 0.00 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.55 1ao8 s THR 63 Cb -0.15 -2.50 0.59 0.00 -1.51 0.00 0.00 72.50 68.93 1ao8 s THR 63 CO -0.10 0.00 1.71 0.00 -2.21 0.00 0.00 174.62 174.01 1ao8 n HIS 64 N -0.67 2.15 -4.58 9.09 1.44 -1.26 -4.69 115.22 116.69 1ao8 n HIS 64 Ca -0.01 -1.75 -0.22 0.00 -2.01 0.00 0.00 57.72 53.73 1ao8 n HIS 64 Cb 0.65 -0.74 -0.14 0.00 0.12 0.00 0.00 29.99 29.88 1ao8 n HIS 64 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1ao8 s GLN 65 N -3.29 1.15 -0.49 -1.40 0.74 -1.26 -5.03 119.66 110.08 1ao8 s GLN 65 Ca 0.51 -0.66 0.03 0.00 0.05 0.00 0.00 55.36 55.29 1ao8 s GLN 65 Cb 0.45 -1.14 0.58 0.00 1.10 0.00 0.00 33.01 33.99 1ao8 s GLN 65 CO 0.05 0.30 1.88 0.39 -0.55 0.00 0.00 175.29 177.37 1ao8 n GLU 66 N 2.34 2.39 -1.00 1.67 1.02 -1.26 -4.30 120.64 121.50 1ao8 n GLU 66 Ca -0.16 -3.16 0.04 0.00 -0.02 0.00 0.00 57.16 53.86 1ao8 n GLU 66 Cb 0.55 -2.18 0.06 0.00 -0.02 0.00 0.00 31.44 29.85 1ao8 n GLU 66 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ao8 n ASP 67 N -1.06 1.05 -4.92 1.62 2.03 -1.26 -5.08 116.55 108.93 1ao8 n ASP 67 Ca 0.57 -2.48 -0.27 0.00 0.52 0.00 0.00 54.79 53.14 1ao8 n ASP 67 Cb 1.27 -0.34 -0.03 0.00 -0.72 0.00 0.00 41.12 41.31 1ao8 n ASP 67 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1ao8 s TYR 68 N -0.89 3.49 -0.29 -0.67 5.04 -1.26 -5.08 117.35 117.68 1ao8 s TYR 68 Ca 0.28 0.53 -0.01 0.00 -2.44 0.00 0.00 57.07 55.43 1ao8 s TYR 68 Cb 0.30 -2.02 0.13 0.00 0.35 0.00 0.00 41.96 40.72 1ao8 s TYR 68 CO -0.10 0.18 0.29 -0.65 -1.34 0.00 0.00 175.55 173.93 1ao8 s GLN 69 N -3.73 0.32 0.20 4.97 -1.52 -1.26 -5.07 119.66 113.56 1ao8 s GLN 69 Ca 0.42 -0.15 -0.12 0.00 -1.95 0.00 0.00 55.36 53.56 1ao8 s GLN 69 Cb -0.10 -0.68 -0.07 0.00 -0.22 0.00 0.00 33.01 31.94 1ao8 s GLN 69 CO 0.32 -1.02 0.56 0.00 -0.25 0.00 0.00 175.29 174.89 1ao8 s ALA 70 N 2.35 3.56 -0.82 6.09 0.00 -1.26 -5.03 121.76 126.66 1ao8 s ALA 70 Ca 0.09 -0.19 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 1ao8 s ALA 70 Cb -0.14 -2.49 0.18 0.00 0.00 0.00 0.00 23.12 20.67 1ao8 s ALA 70 CO -0.33 0.47 0.84 -0.65 0.00 0.00 0.00 175.76 176.10 1ao8 s GLN 71 N -2.42 3.52 0.00 0.00 1.11 -1.26 -4.30 119.66 116.31 1ao8 s GLN 71 Ca 0.43 -2.14 0.00 0.00 0.01 0.00 0.00 55.36 53.66 1ao8 s GLN 71 Cb -0.13 -4.53 0.00 0.00 -1.01 0.00 0.00 33.01 27.34 1ao8 s GLN 71 CO 0.20 -1.44 0.00 0.41 0.01 0.00 0.00 175.29 174.47 1ao8 n GLY 72 N 4.55 2.81 3.87 3.09 0.00 -1.26 -4.22 105.19 114.03 1ao8 n GLY 72 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1ao8 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ao8 s ALA 73 N -2.85 3.23 0.24 4.61 0.00 -1.26 -4.82 121.76 120.90 1ao8 s ALA 73 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 1ao8 s ALA 73 Cb 0.00 -2.88 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 1ao8 s ALA 73 CO 0.00 -0.28 0.59 0.08 0.00 0.00 0.00 175.76 176.15 1ao8 s VAL 74 N -2.68 4.87 -0.25 0.00 1.01 0.12 -4.62 120.40 118.85 1ao8 s VAL 74 Ca 0.53 0.62 0.02 0.00 0.00 0.00 0.00 61.98 63.15 1ao8 s VAL 74 Cb -0.10 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 32.71 1ao8 s VAL 74 CO 0.39 -0.06 -0.06 -0.69 0.00 0.00 0.00 175.10 174.68 1ao8 s VAL 75 N -1.81 1.74 0.23 2.92 1.01 -1.26 -1.64 120.40 121.59 1ao8 s VAL 75 Ca 0.48 -1.42 0.10 0.00 0.00 0.00 0.00 61.98 61.14 1ao8 s VAL 75 Cb -0.11 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1ao8 s VAL 75 CO 0.20 -0.13 -0.07 0.68 0.00 0.00 0.00 175.10 175.79 1ao8 s VAL 76 N 1.29 3.22 -0.12 2.92 -7.23 -1.03 -5.01 120.40 114.43 1ao8 s VAL 76 Ca -0.05 -1.88 0.24 0.00 -1.81 0.00 0.00 61.98 58.48 1ao8 s VAL 76 Cb -0.19 -2.67 0.46 0.00 0.56 0.00 0.00 36.38 34.54 1ao8 s VAL 76 CO -0.07 -0.27 1.15 1.41 -0.31 0.00 0.00 175.10 177.01 1ao8 n HIS 77 N -0.48 0.59 -3.72 2.82 8.25 -1.26 -3.74 115.22 117.68 1ao8 n HIS 77 Ca -0.08 -1.25 -0.12 0.00 -0.26 0.00 0.00 57.72 56.01 1ao8 n HIS 77 Cb 0.58 -0.19 -0.11 0.00 1.12 0.00 0.00 29.99 31.39 1ao8 n HIS 77 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ao8 s ASP 78 N -2.83 -0.45 0.27 0.41 1.01 -1.26 -5.04 116.67 108.78 1ao8 s ASP 78 Ca 0.32 0.83 -0.03 0.00 0.71 0.00 0.00 52.55 54.38 1ao8 s ASP 78 Cb 0.36 0.78 0.35 0.00 1.01 0.00 0.00 42.92 45.42 1ao8 s ASP 78 CO -0.11 -0.16 1.85 0.58 0.21 0.00 0.00 175.17 177.54 1ao8 h VAL 79 N 5.00 1.23 -0.20 -1.27 2.07 -2.00 -2.00 116.25 119.08 1ao8 h VAL 79 Ca -0.32 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 66.41 1ao8 h VAL 79 Cb 1.18 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1ao8 h VAL 79 CO 0.28 0.29 -0.29 0.00 0.02 0.00 0.00 177.57 177.87 1ao8 h ALA 80 N 1.34 1.15 -0.16 1.67 0.00 -1.99 -2.56 119.26 118.69 1ao8 h ALA 80 Ca 0.23 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1ao8 h ALA 80 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ao8 h ALA 80 CO -0.02 0.54 -0.32 0.00 0.00 0.00 0.00 179.25 179.45 1ao8 h ALA 81 N 1.36 1.17 -0.37 0.00 0.00 -1.79 0.71 119.26 120.34 1ao8 h ALA 81 Ca 0.05 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 1ao8 h ALA 81 Cb 0.68 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ao8 h ALA 81 CO 0.05 0.54 -0.26 0.28 0.00 0.00 0.00 179.25 179.86 1ao8 h VAL 82 N 0.27 1.27 0.05 0.00 2.07 -1.03 -2.23 116.25 116.66 1ao8 h VAL 82 Ca 0.04 -1.38 -0.23 0.00 0.82 0.00 0.00 66.70 65.94 1ao8 h VAL 82 Cb 0.70 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1ao8 h VAL 82 CO 0.05 0.46 -1.08 -0.26 0.02 0.00 0.00 177.57 176.76 1ao8 h PHE 83 N 0.66 0.22 -0.44 1.57 0.04 -1.26 -3.25 116.94 114.49 1ao8 h PHE 83 Ca 0.08 -0.15 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 1ao8 h PHE 83 Cb 0.78 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.90 1ao8 h PHE 83 CO 0.04 1.11 -0.01 0.00 -0.60 0.00 0.00 178.31 178.85 1ao8 h ALA 84 N 0.83 1.17 -0.49 2.45 0.00 -0.72 -0.75 119.26 121.76 1ao8 h ALA 84 Ca -0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1ao8 h ALA 84 Cb 1.83 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1ao8 h ALA 84 CO 0.16 0.54 0.08 -0.92 0.00 0.00 0.00 179.25 179.11 1ao8 h TYR 85 N 0.67 0.79 0.02 0.00 5.03 -1.44 -1.90 116.97 120.14 1ao8 h TYR 85 Ca 0.13 -0.08 -0.21 0.00 2.58 0.00 0.00 58.73 61.15 1ao8 h TYR 85 Cb 0.42 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.47 1ao8 h TYR 85 CO 0.02 0.69 -0.94 0.00 -1.32 0.00 0.00 178.16 176.62 1ao8 h ALA 86 N 1.36 0.44 -0.48 1.82 0.00 -1.48 -3.07 119.26 117.85 1ao8 h ALA 86 Ca 0.16 -0.76 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 1ao8 h ALA 86 Cb 0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ao8 h ALA 86 CO 0.00 0.94 0.14 -0.22 0.00 0.00 0.00 179.25 180.12 1ao8 h LYS 87 N 0.10 0.76 0.00 0.00 3.64 -0.72 -2.33 116.57 118.02 1ao8 h LYS 87 Ca -0.05 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.11 1ao8 h LYS 87 Cb 1.59 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 1ao8 h LYS 87 CO 0.14 0.72 -0.22 0.37 -2.27 0.00 0.00 179.45 178.19 1ao8 h GLN 88 N 0.65 0.00 -3.80 1.90 4.15 -1.39 -3.34 115.11 113.28 1ao8 h GLN 88 Ca 0.16 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.90 1ao8 h GLN 88 Cb 0.28 0.00 -0.38 0.00 0.21 0.00 0.00 27.48 27.60 1ao8 h GLN 88 CO -0.00 0.22 -0.53 -1.01 -1.93 0.00 0.00 178.83 175.58 1ao8 s HIS 89 N -4.51 3.41 0.18 3.99 3.76 -0.88 -4.91 115.29 116.33 1ao8 s HIS 89 Ca -0.04 -2.87 0.09 0.00 -0.15 0.00 0.00 55.06 52.10 1ao8 s HIS 89 Cb 0.15 -3.04 0.07 0.00 1.11 0.00 0.00 32.58 30.87 1ao8 s HIS 89 CO 0.70 -0.84 1.44 -1.00 -0.85 0.00 0.00 174.74 174.19 1ao8 h PRO 90 N 7.08 0.00 -0.23 8.40 0.14 -1.70 -3.19 132.00 142.50 1ao8 h PRO 90 Ca -0.06 0.00 -0.05 0.00 0.14 0.00 0.00 66.00 66.04 1ao8 h PRO 90 Cb 0.95 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.08 1ao8 h PRO 90 CO 0.68 0.80 -0.06 -0.44 0.14 0.00 0.00 178.00 179.11 1ao8 h ASP 91 N 0.00 0.33 -2.17 1.44 5.19 -1.91 -3.42 116.42 115.88 1ao8 h ASP 91 Ca -0.01 -0.06 -0.46 0.00 -0.62 0.00 0.00 57.03 55.88 1ao8 h ASP 91 Cb 1.44 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.85 1ao8 h ASP 91 CO 0.10 0.45 -0.43 -1.10 -3.12 0.00 0.00 179.24 175.13 1ao8 s GLN 92 N -4.85 3.37 0.45 3.56 1.11 -1.21 -5.03 119.66 117.06 1ao8 s GLN 92 Ca -0.06 -0.80 0.04 0.00 0.01 0.00 0.00 55.36 54.54 1ao8 s GLN 92 Cb 0.16 -2.85 -0.05 0.00 -1.01 0.00 0.00 33.01 29.26 1ao8 s GLN 92 CO 0.74 0.41 0.02 -1.21 0.01 0.00 0.00 175.29 175.26 1ao8 s GLU 93 N -3.98 2.03 -0.12 2.91 2.02 -1.26 -4.92 118.70 115.38 1ao8 s GLU 93 Ca 0.34 -2.22 -0.13 0.00 0.02 0.00 0.00 54.97 52.98 1ao8 s GLU 93 Cb -0.09 -1.46 -0.05 0.00 0.10 0.00 0.00 34.13 32.63 1ao8 s GLU 93 CO 0.29 -0.22 0.30 -1.17 0.02 0.00 0.00 175.26 174.47 1ao8 s LEU 94 N -3.76 4.31 -0.12 1.80 2.96 -1.26 -2.07 118.68 120.54 1ao8 s LEU 94 Ca 0.22 0.60 0.02 0.00 -0.22 0.00 0.00 54.13 54.75 1ao8 s LEU 94 Cb 0.06 -2.38 0.01 0.00 0.50 0.00 0.00 46.19 44.38 1ao8 s LEU 94 CO 0.11 0.18 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.46 1ao8 s VAL 95 N -0.05 1.71 -0.32 1.68 1.01 -0.83 -1.77 120.40 121.82 1ao8 s VAL 95 Ca 0.18 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 1ao8 s VAL 95 Cb -0.14 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1ao8 s VAL 95 CO 0.06 0.48 0.20 -0.63 0.00 0.00 0.00 175.10 175.21 1ao8 s ILE 96 N 0.96 5.01 -0.15 2.22 -1.09 -0.95 -0.68 121.20 126.52 1ao8 s ILE 96 Ca -0.06 -0.25 0.16 0.00 -2.23 0.00 0.00 60.65 58.27 1ao8 s ILE 96 Cb -0.15 -3.55 -0.23 0.00 -1.58 0.00 0.00 42.46 36.96 1ao8 s ILE 96 CO -0.02 0.05 0.11 0.00 -1.23 0.00 0.00 174.94 173.84 1ao8 n ALA 97 N 5.05 1.72 0.00 9.38 0.00 -1.03 -1.85 120.51 133.77 1ao8 n ALA 97 Ca -0.13 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.24 1ao8 n ALA 97 Cb 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1ao8 n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ao8 n GLY 98 N 1.85 -0.41 0.00 0.00 0.00 -1.26 -4.75 105.19 100.63 1ao8 n GLY 98 Ca -0.25 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1ao8 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ao8 n GLY 99 N -0.54 1.14 0.23 -0.02 0.00 -1.26 -1.13 105.19 103.62 1ao8 n GLY 99 Ca 0.00 -1.66 0.06 0.00 0.00 0.00 0.00 46.02 44.42 1ao8 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ao8 h ALA 100 N -1.64 1.76 0.00 4.61 0.00 -1.94 -1.43 119.26 120.62 1ao8 h ALA 100 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1ao8 h ALA 100 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ao8 h ALA 100 CO 0.00 0.18 -0.14 1.96 0.00 0.00 0.00 179.25 181.26 1ao8 h GLN 101 N 0.03 0.00 0.14 0.00 4.20 -2.00 -0.61 115.11 116.87 1ao8 h GLN 101 Ca 0.00 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.39 1ao8 h GLN 101 Cb 0.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1ao8 h GLN 101 CO 0.02 0.14 -1.65 0.82 -0.67 0.00 0.00 178.83 177.49 1ao8 h ILE 102 N 0.00 1.03 -0.57 2.54 1.08 -1.54 -3.26 117.51 116.79 1ao8 h ILE 102 Ca -0.00 -2.66 -0.09 0.00 -0.39 0.00 0.00 64.86 61.72 1ao8 h ILE 102 Cb 0.25 2.74 -0.02 0.00 -3.07 0.00 0.00 36.82 36.72 1ao8 h ILE 102 CO 0.02 0.83 0.00 -0.26 -0.69 0.00 0.00 178.15 178.04 1ao8 h PHE 103 N 0.08 1.07 -0.11 1.37 0.04 -1.05 -2.33 116.94 116.00 1ao8 h PHE 103 Ca -0.29 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 60.27 1ao8 h PHE 103 Cb 2.05 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 39.91 1ao8 h PHE 103 CO 0.08 0.95 -0.08 1.15 -0.60 0.00 0.00 178.31 179.81 1ao8 h THR 104 N 0.91 1.13 -0.07 -1.55 2.02 -1.24 0.17 112.91 114.27 1ao8 h THR 104 Ca 0.17 -0.55 -0.21 0.00 0.77 0.00 0.00 66.41 66.58 1ao8 h THR 104 Cb 0.53 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1ao8 h THR 104 CO 0.03 0.17 -0.83 0.00 0.37 0.00 0.00 175.52 175.26 1ao8 h ALA 105 N 1.76 0.41 -0.78 6.16 0.00 -1.49 -3.25 119.26 122.08 1ao8 h ALA 105 Ca 0.04 -0.64 -0.53 0.00 0.00 0.00 0.00 54.91 53.78 1ao8 h ALA 105 Cb 0.25 -0.02 -0.32 0.00 0.00 0.00 0.00 17.79 17.70 1ao8 h ALA 105 CO 0.01 0.75 -0.02 1.19 0.00 0.00 0.00 179.25 181.18 1ao8 n PHE 106 N -3.84 2.64 0.22 0.00 3.72 -0.89 -4.74 117.46 114.57 1ao8 n PHE 106 Ca -0.06 -2.40 -0.15 0.00 -0.05 0.00 0.00 57.45 54.79 1ao8 n PHE 106 Cb 0.77 -0.79 -0.08 0.00 -0.94 0.00 0.00 39.48 38.43 1ao8 n PHE 106 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1ao8 h LYS 107 N 1.86 -0.52 -2.03 -1.08 3.64 -0.72 -3.15 116.57 114.57 1ao8 h LYS 107 Ca 0.44 0.04 -0.77 0.00 -1.27 0.00 0.00 60.65 59.09 1ao8 h LYS 107 Cb 1.35 0.12 -0.28 0.00 -0.41 0.00 0.00 32.23 33.00 1ao8 h LYS 107 CO 1.01 -0.28 0.94 -0.25 -2.27 0.00 0.00 179.45 178.60 1ao8 n ASP 108 N -5.27 7.30 -2.64 4.20 8.00 -1.26 -4.45 116.55 122.42 1ao8 n ASP 108 Ca -0.11 -3.80 -0.01 0.00 0.71 0.00 0.00 54.79 51.58 1ao8 n ASP 108 Cb 0.26 -1.05 0.08 0.00 -0.02 0.00 0.00 41.12 40.39 1ao8 n ASP 108 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ao8 n ASP 109 N -0.43 0.19 -3.80 -2.24 8.00 -1.19 -5.11 116.55 111.98 1ao8 n ASP 109 Ca 0.51 -2.10 -0.12 0.00 0.71 0.00 0.00 54.79 53.79 1ao8 n ASP 109 Cb 0.26 0.04 -0.10 0.00 -0.02 0.00 0.00 41.12 41.30 1ao8 n ASP 109 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ao8 s VAL 110 N -1.87 0.05 -0.14 2.53 0.11 -1.26 -4.91 120.40 114.90 1ao8 s VAL 110 Ca 0.19 -0.38 -0.05 0.00 -2.93 0.00 0.00 61.98 58.80 1ao8 s VAL 110 Cb 0.37 -0.48 -0.07 0.00 -1.53 0.00 0.00 36.38 34.67 1ao8 s VAL 110 CO -0.08 -0.21 -0.17 0.47 -3.33 0.00 0.00 175.10 171.78 1ao8 n ASP 111 N 1.88 1.47 -4.84 3.54 9.92 -1.26 -4.98 116.55 122.27 1ao8 n ASP 111 Ca -0.19 0.12 -0.36 0.00 -0.53 0.00 0.00 54.79 53.83 1ao8 n ASP 111 Cb 0.57 -0.37 -0.06 0.00 -0.64 0.00 0.00 41.12 40.61 1ao8 n ASP 111 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1ao8 s THR 112 N -2.26 4.93 -0.23 -3.53 2.01 -1.26 -2.31 115.64 112.98 1ao8 s THR 112 Ca -0.20 0.80 -0.02 0.00 0.31 0.00 0.00 61.69 62.58 1ao8 s THR 112 Cb 0.07 -3.73 0.07 0.00 0.01 0.00 0.00 72.50 68.92 1ao8 s THR 112 CO 0.27 0.36 0.05 -0.76 -0.69 0.00 0.00 174.62 173.85 1ao8 s LEU 113 N -1.65 1.56 -0.18 4.42 1.43 -0.39 -2.38 118.68 121.49 1ao8 s LEU 113 Ca 0.33 -1.08 -0.15 0.00 -1.03 0.00 0.00 54.13 52.19 1ao8 s LEU 113 Cb -0.16 -0.71 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 1ao8 s LEU 113 CO 0.18 -0.33 0.37 -0.76 0.23 0.00 0.00 176.35 176.04 1ao8 s LEU 114 N 1.76 4.20 0.01 1.79 1.43 0.34 -1.98 118.68 126.24 1ao8 s LEU 114 Ca 0.02 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1ao8 s LEU 114 Cb -0.17 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.55 1ao8 s LEU 114 CO -0.13 -0.01 -0.03 0.54 0.23 0.00 0.00 176.35 176.95 1ao8 s VAL 115 N 0.95 0.13 -0.36 -1.59 0.11 -1.02 -2.30 120.40 116.32 1ao8 s VAL 115 Ca 0.19 -0.63 -0.01 0.00 -2.93 0.00 0.00 61.98 58.60 1ao8 s VAL 115 Cb -0.14 -0.22 0.09 0.00 -1.53 0.00 0.00 36.38 34.58 1ao8 s VAL 115 CO 0.07 -0.32 0.11 -0.89 -3.33 0.00 0.00 175.10 170.74 1ao8 s THR 116 N -0.97 2.97 0.12 5.04 2.01 -0.87 -1.33 115.64 122.62 1ao8 s THR 116 Ca -0.10 -1.91 -0.30 0.00 0.31 0.00 0.00 61.69 59.69 1ao8 s THR 116 Cb -0.07 -2.96 -0.06 0.00 0.01 0.00 0.00 72.50 69.42 1ao8 s THR 116 CO -0.01 -0.48 0.97 -0.13 -0.69 0.00 0.00 174.62 174.28 1ao8 s ARG 117 N 1.13 4.69 0.43 4.92 0.52 -0.73 -1.80 118.95 128.11 1ao8 s ARG 117 Ca 0.04 1.47 0.08 0.00 -0.52 0.00 0.00 55.73 56.80 1ao8 s ARG 117 Cb -0.21 -3.37 -0.00 0.00 0.52 0.00 0.00 34.95 31.89 1ao8 s ARG 117 CO -0.04 0.20 0.48 -0.51 0.02 0.00 0.00 175.30 175.46 1ao8 s LEU 118 N -0.03 3.47 -0.20 2.53 1.02 -0.63 -0.50 118.68 124.34 1ao8 s LEU 118 Ca 0.47 -0.63 0.02 0.00 0.02 0.00 0.00 54.13 54.02 1ao8 s LEU 118 Cb -0.24 -2.26 -0.13 0.00 0.02 0.00 0.00 46.19 43.58 1ao8 s LEU 118 CO 0.30 -0.75 -0.16 0.00 0.02 0.00 0.00 176.35 175.76 1ao8 n ALA 119 N -1.72 1.57 -1.77 4.21 0.00 0.12 -4.03 120.51 118.89 1ao8 n ALA 119 Ca 0.06 -0.86 -0.40 0.00 0.00 0.00 0.00 53.44 52.23 1ao8 n ALA 119 Cb 0.61 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 1ao8 n ALA 119 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ao8 s GLY 120 N -5.86 3.00 0.29 0.00 0.00 0.12 -4.85 107.32 100.02 1ao8 s GLY 120 Ca -0.25 1.11 -0.25 0.00 0.00 0.00 0.00 44.72 45.32 1ao8 s GLY 120 CO 0.47 1.72 0.90 -1.35 0.00 0.00 0.00 173.10 174.84 1ao8 s SER 121 N -0.71 7.33 -0.03 1.64 1.04 -1.26 -4.66 113.70 117.05 1ao8 s SER 121 Ca 0.49 1.76 -0.03 0.00 0.48 0.00 0.00 55.95 58.66 1ao8 s SER 121 Cb -0.36 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.22 1ao8 s SER 121 CO 0.47 -0.01 0.08 -0.36 0.98 0.00 0.00 173.24 174.40 1ao8 s PHE 122 N -1.52 -0.08 -0.03 5.02 0.08 -1.26 -5.11 117.98 115.08 1ao8 s PHE 122 Ca 0.47 0.21 0.03 0.00 0.12 0.00 0.00 56.93 57.76 1ao8 s PHE 122 Cb -0.19 0.01 -0.03 0.00 -0.57 0.00 0.00 43.02 42.24 1ao8 s PHE 122 CO 0.24 -0.05 -0.10 -1.83 -0.10 0.00 0.00 175.22 173.38 1ao8 s GLU 123 N 0.13 2.54 0.00 0.44 -1.05 -1.26 -4.77 118.70 114.73 1ao8 s GLU 123 Ca -0.01 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.12 1ao8 s GLU 123 Cb -0.01 -2.46 0.00 0.00 -0.44 0.00 0.00 34.13 31.22 1ao8 s GLU 123 CO -0.00 0.62 0.00 0.41 0.95 0.00 0.00 175.26 177.24 1ao8 n GLY 124 N 1.96 1.69 0.07 -3.83 0.00 -1.26 -5.00 105.19 98.82 1ao8 n GLY 124 Ca -0.17 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 1ao8 n GLY 124 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ao8 n ASP 125 N -0.67 2.24 -4.65 1.61 9.92 -1.26 -4.92 116.55 118.82 1ao8 n ASP 125 Ca 0.00 -0.04 -0.43 0.00 -0.53 0.00 0.00 54.79 53.79 1ao8 n ASP 125 Cb 0.00 0.29 -0.02 0.00 -0.64 0.00 0.00 41.12 40.74 1ao8 n ASP 125 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1ao8 s THR 126 N -2.32 4.10 0.36 -3.53 2.01 -1.24 -5.01 115.64 110.01 1ao8 s THR 126 Ca -0.14 1.31 0.07 0.00 0.31 0.00 0.00 61.69 63.23 1ao8 s THR 126 Cb 0.05 -3.94 -0.07 0.00 0.01 0.00 0.00 72.50 68.55 1ao8 s THR 126 CO 0.46 -0.22 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.62 1ao8 s LYS 127 N 3.84 1.81 0.15 4.92 1.02 -1.26 -1.86 119.74 128.35 1ao8 s LYS 127 Ca 0.59 -1.99 -0.12 0.00 0.02 0.00 0.00 55.97 54.47 1ao8 s LYS 127 Cb -0.22 -1.43 -0.07 0.00 -0.52 0.00 0.00 37.83 35.59 1ao8 s LYS 127 CO 0.20 -0.02 0.52 1.41 -0.92 0.00 0.00 175.35 176.53 1ao8 s MET 128 N -3.73 3.90 0.94 1.68 -2.45 -1.14 -4.74 119.30 113.76 1ao8 s MET 128 Ca 0.34 0.38 -0.11 0.00 -1.25 0.00 0.00 55.69 55.05 1ao8 s MET 128 Cb 0.07 -2.89 0.15 0.00 1.25 0.00 0.00 34.83 33.41 1ao8 s MET 128 CO 0.16 0.47 1.09 0.96 1.05 0.00 0.00 175.02 178.75 1ao8 s ILE 129 N -1.51 2.49 -0.44 10.11 -4.36 -1.26 -4.95 121.20 121.26 1ao8 s ILE 129 Ca 0.38 0.16 -0.28 0.00 -0.26 0.00 0.00 60.65 60.65 1ao8 s ILE 129 Cb -0.14 -2.50 0.03 0.00 1.25 0.00 0.00 42.46 41.10 1ao8 s ILE 129 CO 0.19 -0.21 1.09 -2.16 0.24 0.00 0.00 174.94 174.10 1ao8 s PRO 130 N -4.81 3.77 0.21 0.37 0.04 -1.26 -5.04 135.00 128.29 1ao8 s PRO 130 Ca 0.65 0.62 0.08 0.00 0.04 0.00 0.00 61.00 62.38 1ao8 s PRO 130 Cb -0.20 -3.87 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 1ao8 s PRO 130 CO 0.58 -1.26 0.05 -0.51 0.04 0.00 0.00 177.00 175.90 1ao8 s LEU 131 N 4.19 3.42 -0.18 -3.56 1.43 -1.26 -5.09 118.68 117.63 1ao8 s LEU 131 Ca 0.46 -0.42 -0.26 0.00 -1.03 0.00 0.00 54.13 52.88 1ao8 s LEU 131 Cb -0.09 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 1ao8 s LEU 131 CO 0.28 0.04 0.86 0.21 0.23 0.00 0.00 176.35 177.97 1ao8 s ASN 132 N -3.34 6.97 -0.13 2.29 3.84 -1.26 -4.91 114.94 118.40 1ao8 s ASN 132 Ca 0.30 1.20 0.20 0.00 0.21 0.00 0.00 52.86 54.76 1ao8 s ASN 132 Cb -0.08 -2.47 -0.29 0.00 -0.55 0.00 0.00 41.25 37.86 1ao8 s ASN 132 CO 0.21 -0.45 0.23 0.79 -2.79 0.00 0.00 177.10 175.09 1ao8 n TRP 133 N 5.44 0.00 0.28 0.43 7.02 -1.26 -4.26 117.44 125.09 1ao8 n TRP 133 Ca 0.06 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.68 1ao8 n TRP 133 Cb 0.48 -0.80 0.86 0.00 -2.42 0.00 0.00 31.31 29.43 1ao8 n TRP 133 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1ao8 h ASP 134 N 0.00 0.00 -0.85 -0.99 5.19 -2.04 -1.46 116.42 116.28 1ao8 h ASP 134 Ca -0.33 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.54 1ao8 h ASP 134 Cb 1.75 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 41.01 1ao8 h ASP 134 CO 0.02 0.00 0.70 0.47 -3.12 0.00 0.00 179.24 177.31 1ao8 n ASP 135 N -3.96 6.53 -3.97 6.45 8.00 -1.26 -4.92 116.55 123.43 1ao8 n ASP 135 Ca -0.02 -3.53 -0.09 0.00 0.71 0.00 0.00 54.79 51.86 1ao8 n ASP 135 Cb 0.12 -0.96 -0.05 0.00 -0.02 0.00 0.00 41.12 40.22 1ao8 n ASP 135 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ao8 s PHE 136 N -3.14 0.28 -0.02 1.24 0.40 -0.55 -4.09 117.98 112.09 1ao8 s PHE 136 Ca 0.54 -0.65 -0.15 0.00 -0.60 0.00 0.00 56.93 56.06 1ao8 s PHE 136 Cb 0.43 0.25 0.03 0.00 0.51 0.00 0.00 43.02 44.23 1ao8 s PHE 136 CO 0.01 -1.01 0.33 0.99 0.70 0.00 0.00 175.22 176.24 1ao8 s THR 137 N -4.00 0.05 0.09 0.64 2.01 -0.07 -4.87 115.64 109.50 1ao8 s THR 137 Ca 0.20 -0.42 -0.20 0.00 0.31 0.00 0.00 61.69 61.58 1ao8 s THR 137 Cb -0.01 -0.62 -0.07 0.00 0.01 0.00 0.00 72.50 71.81 1ao8 s THR 137 CO 0.08 -0.23 0.61 -0.75 -0.69 0.00 0.00 174.62 173.63 1ao8 s LYS 138 N -1.21 4.26 0.00 4.92 2.20 -1.26 -0.75 119.74 127.90 1ao8 s LYS 138 Ca -0.12 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 1ao8 s LYS 138 Cb -0.05 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1ao8 s LYS 138 CO 0.04 0.63 0.00 1.33 -0.36 0.00 0.00 175.35 176.99 1ao8 n VAL 139 N 1.69 0.00 -4.46 4.02 0.24 -1.22 -4.96 118.33 113.64 1ao8 n VAL 139 Ca -0.09 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.96 1ao8 n VAL 139 Cb 0.50 -0.51 -0.10 0.00 -1.47 0.00 0.00 33.84 32.26 1ao8 n VAL 139 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1ao8 s SER 140 N -3.99 3.52 -0.12 -1.34 0.01 -1.25 -5.04 113.70 105.49 1ao8 s SER 140 Ca 0.00 -0.99 -0.30 0.00 1.31 0.00 0.00 55.95 55.96 1ao8 s SER 140 Cb 0.00 -0.28 0.12 0.00 0.21 0.00 0.00 66.02 66.07 1ao8 s SER 140 CO 0.00 0.05 1.01 -0.55 0.41 0.00 0.00 173.24 174.16 1ao8 s SER 141 N -3.32 -0.32 -0.17 2.44 0.15 -1.26 -2.33 113.70 108.89 1ao8 s SER 141 Ca 0.28 0.19 -0.04 0.00 0.70 0.00 0.00 55.95 57.08 1ao8 s SER 141 Cb -0.06 0.29 0.08 0.00 -1.71 0.00 0.00 66.02 64.63 1ao8 s SER 141 CO 0.14 -0.40 0.23 -0.60 1.20 0.00 0.00 173.24 173.80 1ao8 s ARG 142 N -1.97 0.17 -0.17 5.44 3.52 -1.13 -5.00 118.95 119.82 1ao8 s ARG 142 Ca 0.03 0.38 -0.24 0.00 -0.13 0.00 0.00 55.73 55.77 1ao8 s ARG 142 Cb -0.01 -0.80 -0.02 0.00 -1.56 0.00 0.00 34.95 32.56 1ao8 s ARG 142 CO -0.03 -0.53 0.76 0.99 -0.81 0.00 0.00 175.30 175.68 1ao8 s THR 143 N 2.35 4.94 -0.13 4.11 2.01 -1.26 -2.21 115.64 125.45 1ao8 s THR 143 Ca 0.05 1.49 0.01 0.00 0.31 0.00 0.00 61.69 63.56 1ao8 s THR 143 Cb -0.14 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.31 1ao8 s THR 143 CO -0.11 0.07 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.04 1ao8 s VAL 144 N 1.95 1.65 -0.25 3.82 1.01 -0.90 -5.03 120.40 122.65 1ao8 s VAL 144 Ca 0.35 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 1ao8 s VAL 144 Cb -0.16 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1ao8 s VAL 144 CO 0.12 0.47 0.07 -1.61 0.00 0.00 0.00 175.10 174.15 1ao8 s GLU 145 N 1.09 3.65 0.23 2.72 2.02 -1.26 -2.39 118.70 124.76 1ao8 s GLU 145 Ca -0.03 -0.48 -0.03 0.00 0.02 0.00 0.00 54.97 54.45 1ao8 s GLU 145 Cb -0.14 -3.31 0.05 0.00 0.10 0.00 0.00 34.13 30.82 1ao8 s GLU 145 CO -0.04 -0.18 0.32 -3.47 0.02 0.00 0.00 175.26 171.91 1ao8 n ASP 146 N 4.89 0.14 -0.29 -0.19 -0.08 -1.26 -4.96 116.55 114.79 1ao8 n ASP 146 Ca -0.16 -1.18 -0.06 0.00 -1.51 0.00 0.00 54.79 51.88 1ao8 n ASP 146 Cb 0.51 -0.23 0.06 0.00 2.34 0.00 0.00 41.12 43.81 1ao8 n ASP 146 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1ao8 h THR 147 N -0.94 1.26 -2.02 5.18 1.35 -1.99 -3.44 112.91 112.31 1ao8 h THR 147 Ca -0.10 -0.80 -0.45 0.00 -0.55 0.00 0.00 66.41 64.51 1ao8 h THR 147 Cb 0.31 0.30 0.01 0.00 -1.73 0.00 0.00 68.15 67.04 1ao8 h THR 147 CO 0.08 0.33 -0.31 0.20 -0.25 0.00 0.00 175.52 175.57 1ao8 s ASN 148 N -6.32 6.00 0.10 5.36 0.01 -1.26 -5.02 114.94 113.81 1ao8 s ASN 148 Ca -0.12 -0.06 0.03 0.00 -0.71 0.00 0.00 52.86 51.99 1ao8 s ASN 148 Cb 0.16 -1.38 -0.23 0.00 0.41 0.00 0.00 41.25 40.21 1ao8 s ASN 148 CO 0.83 -0.43 1.23 1.55 -1.51 0.00 0.00 177.10 178.77 1ao8 h PRO 149 N 0.84 0.09 -0.02 -0.60 0.13 -1.99 -3.25 132.00 127.21 1ao8 h PRO 149 Ca -0.47 -0.16 -0.15 0.00 -0.87 0.00 0.00 66.00 64.36 1ao8 h PRO 149 Cb 1.25 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1ao8 h PRO 149 CO 0.55 1.07 -0.69 0.00 -0.23 0.00 0.00 178.00 178.70 1ao8 h ALA 150 N 0.86 0.82 0.00 -0.56 0.00 -1.95 -2.87 119.26 115.56 1ao8 h ALA 150 Ca -0.05 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1ao8 h ALA 150 Cb 1.84 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1ao8 h ALA 150 CO 0.15 0.82 0.00 1.28 0.00 0.00 0.00 179.25 181.51 1ao8 n LEU 151 N -3.76 0.00 -4.74 0.00 4.77 -1.24 -0.70 117.00 111.33 1ao8 n LEU 151 Ca -0.02 0.41 -0.42 0.00 -0.03 0.00 0.00 56.01 55.95 1ao8 n LEU 151 Cb 0.67 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1ao8 n LEU 151 CO 0.44 -0.02 1.23 0.41 -1.33 0.00 0.00 177.39 178.12 1ao8 n THR 152 N -1.41 0.96 -4.15 -5.08 -1.04 -1.08 -4.53 114.28 97.95 1ao8 n THR 152 Ca 0.10 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.05 61.75 1ao8 n THR 152 Cb 0.29 -1.91 -0.08 0.00 -1.82 0.00 0.00 70.33 66.80 1ao8 n THR 152 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1ao8 s HIS 153 N 0.05 0.97 -0.16 -1.42 -3.43 -1.01 0.11 115.29 110.40 1ao8 s HIS 153 Ca 0.65 -1.22 -0.07 0.00 -0.80 0.00 0.00 55.06 53.63 1ao8 s HIS 153 Cb -0.51 -0.35 0.07 0.00 -1.43 0.00 0.00 32.58 30.36 1ao8 s HIS 153 CO 0.48 -0.76 0.36 0.99 -2.00 0.00 0.00 174.74 173.80 1ao8 s THR 154 N -4.05 -0.36 0.47 -5.38 2.01 0.34 -2.13 115.64 106.55 1ao8 s THR 154 Ca 0.34 0.18 -0.19 0.00 0.31 0.00 0.00 61.69 62.33 1ao8 s THR 154 Cb 0.04 -0.56 -0.09 0.00 0.01 0.00 0.00 72.50 71.90 1ao8 s THR 154 CO 0.12 0.07 0.98 -0.31 -0.69 0.00 0.00 174.62 174.80 1ao8 s TYR 155 N 2.09 3.27 -0.02 4.92 2.02 -0.94 -1.77 117.35 126.92 1ao8 s TYR 155 Ca -0.04 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.22 1ao8 s TYR 155 Cb -0.11 -2.88 0.02 0.00 -0.40 0.00 0.00 41.96 38.59 1ao8 s TYR 155 CO -0.11 -0.37 0.02 -1.21 -1.57 0.00 0.00 175.55 172.31 1ao8 s GLU 156 N -3.47 0.00 -0.85 -0.62 8.01 -0.44 -2.83 118.70 118.50 1ao8 s GLU 156 Ca 0.62 0.13 -0.02 0.00 0.01 0.00 0.00 54.97 55.71 1ao8 s GLU 156 Cb -0.11 -0.21 0.21 0.00 -4.31 0.00 0.00 34.13 29.71 1ao8 s GLU 156 CO 0.20 -0.12 0.72 0.08 0.01 0.00 0.00 175.26 176.15 1ao8 s VAL 157 N 0.79 4.23 0.39 2.63 1.01 -0.98 -2.44 120.40 126.03 1ao8 s VAL 157 Ca -0.07 -3.74 -0.25 0.00 0.00 0.00 0.00 61.98 57.93 1ao8 s VAL 157 Cb -0.10 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 1ao8 s VAL 157 CO -0.02 -1.05 1.09 0.26 0.00 0.00 0.00 175.10 175.37 1ao8 s TRP 158 N -1.15 3.23 0.06 5.22 0.52 -0.83 -3.39 118.94 122.59 1ao8 s TRP 158 Ca 0.26 1.62 0.03 0.00 0.02 0.00 0.00 56.10 58.03 1ao8 s TRP 158 Cb -0.09 -3.21 -0.03 0.00 -1.15 0.00 0.00 33.47 28.99 1ao8 s TRP 158 CO -0.11 -0.82 -0.10 -0.65 0.02 0.00 0.00 176.95 175.28 1ao8 s GLN 159 N -2.37 0.67 0.22 4.98 -0.21 0.07 -1.26 119.66 121.77 1ao8 s GLN 159 Ca 0.57 -0.88 -0.30 0.00 0.02 0.00 0.00 55.36 54.76 1ao8 s GLN 159 Cb -0.25 -0.50 -0.08 0.00 1.00 0.00 0.00 33.01 33.17 1ao8 s GLN 159 CO 0.32 0.10 0.99 0.21 -2.12 0.00 0.00 175.29 174.78 1ao8 s LYS 160 N -1.82 4.77 -0.15 2.91 2.20 -0.98 -0.89 119.74 125.78 1ao8 s LYS 160 Ca -0.05 1.57 0.17 0.00 -0.36 0.00 0.00 55.97 57.30 1ao8 s LYS 160 Cb -0.09 -3.28 -0.24 0.00 -1.51 0.00 0.00 37.83 32.72 1ao8 s LYS 160 CO 0.01 0.37 0.13 0.36 -0.36 0.00 0.00 175.35 175.86 1ao8 n LYS 161 N 1.71 0.96 0.00 4.03 2.85 -1.26 -4.91 118.16 121.54 1ao8 n LYS 161 Ca -0.01 -0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1ao8 n LYS 161 Cb 0.47 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 1ao8 n LYS 161 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35