#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 0.65 -0.15 2.41 0.00 0.03 -4.10 121.76 120.60 1ao8 s ALA 2 Ca 0.00 -0.07 -0.23 0.00 0.00 0.00 0.00 51.96 51.66 1ao8 s ALA 2 Cb 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1ao8 s ALA 2 CO 0.00 -0.25 0.73 -0.06 0.00 0.00 0.00 175.76 176.18 1ao8 s PHE 3 N 1.48 3.44 -0.12 0.00 0.40 -0.97 -0.16 117.98 122.05 1ao8 s PHE 3 Ca -0.03 1.14 -0.03 0.00 -0.60 0.00 0.00 56.93 57.41 1ao8 s PHE 3 Cb -0.13 -2.89 0.05 0.00 0.51 0.00 0.00 43.02 40.56 1ao8 s PHE 3 CO -0.03 -0.14 0.07 -1.17 0.70 0.00 0.00 175.22 174.65 1ao8 s LEU 4 N 1.75 0.35 0.11 -0.37 2.96 -0.95 -0.28 118.68 122.25 1ao8 s LEU 4 Ca 0.35 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.79 1ao8 s LEU 4 Cb -0.17 -0.25 0.02 0.00 0.50 0.00 0.00 46.19 46.30 1ao8 s LEU 4 CO 0.13 -0.30 0.30 -1.66 -1.32 0.00 0.00 176.35 173.50 1ao8 s TRP 5 N 2.12 -0.01 0.03 5.38 -2.14 -0.98 -4.49 118.94 118.85 1ao8 s TRP 5 Ca 0.03 -0.36 0.05 0.00 2.66 0.00 0.00 56.10 58.48 1ao8 s TRP 5 Cb -0.14 0.10 -0.03 0.00 -3.10 0.00 0.00 33.47 30.30 1ao8 s TRP 5 CO -0.06 -0.64 -0.10 0.00 -2.66 0.00 0.00 176.95 173.49 1ao8 s ALA 6 N -3.84 2.92 0.18 2.67 0.00 -1.26 -2.23 121.76 120.20 1ao8 s ALA 6 Ca 0.05 -1.10 -0.17 0.00 0.00 0.00 0.00 51.96 50.73 1ao8 s ALA 6 Cb 0.03 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.18 1ao8 s ALA 6 CO -0.11 0.61 0.49 1.14 0.00 0.00 0.00 175.76 177.90 1ao8 s GLN 7 N -1.60 1.30 0.13 0.00 1.03 -0.66 -4.20 119.66 115.67 1ao8 s GLN 7 Ca 0.18 -0.81 0.01 0.00 0.04 0.00 0.00 55.36 54.77 1ao8 s GLN 7 Cb -0.11 0.51 0.01 0.00 0.03 0.00 0.00 33.01 33.45 1ao8 s GLN 7 CO 0.09 -0.54 0.08 -0.40 -2.54 0.00 0.00 175.29 171.97 1ao8 n ASP 8 N -0.31 1.63 0.26 12.60 5.75 -1.23 -1.70 116.55 133.54 1ao8 n ASP 8 Ca -0.12 -1.48 0.09 0.00 -0.01 0.00 0.00 54.79 53.28 1ao8 n ASP 8 Cb 0.63 0.01 0.68 0.00 -1.03 0.00 0.00 41.12 41.42 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 0.00 -0.20 0.11 0.11 -1.79 -2.19 114.38 110.43 1ao8 h ARG 9 Ca -0.09 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.83 1ao8 h ARG 9 Cb 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1ao8 h ARG 9 CO 0.14 0.05 -0.49 -0.44 0.10 0.00 0.00 179.97 179.33 1ao8 h ASP 10 N 0.00 0.77 0.00 0.08 3.32 -1.88 -3.48 116.42 115.23 1ao8 h ASP 10 Ca -0.00 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1ao8 h ASP 10 Cb 0.09 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1ao8 h ASP 10 CO 0.01 1.20 0.00 0.61 -1.72 0.00 0.00 179.24 179.34 1ao8 n GLY 11 N 0.49 1.99 3.73 2.75 0.00 -0.82 -5.11 105.19 108.21 1ao8 n GLY 11 Ca -0.06 0.00 -0.35 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 4.22 -0.14 0.99 2.96 -1.26 -3.58 118.68 121.86 1ao8 s LEU 12 Ca 0.00 0.30 0.14 0.00 -0.22 0.00 0.00 54.13 54.35 1ao8 s LEU 12 Cb 0.00 -2.16 -0.20 0.00 0.50 0.00 0.00 46.19 44.33 1ao8 s LEU 12 CO 0.00 0.16 0.08 2.30 -1.32 0.00 0.00 176.35 177.57 1ao8 n ILE 13 N 3.54 0.98 -3.86 6.68 -5.35 -0.99 -3.50 119.36 116.87 1ao8 n ILE 13 Ca -0.15 -0.65 -0.10 0.00 -0.27 0.00 0.00 62.75 61.59 1ao8 n ILE 13 Cb 0.52 -0.52 0.01 0.00 -1.74 0.00 0.00 39.64 37.92 1ao8 n ILE 13 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1ao8 s GLY 14 N -4.85 0.59 -0.24 3.28 0.00 -1.16 -4.80 107.32 100.15 1ao8 s GLY 14 Ca -0.08 -0.90 -0.07 0.00 0.00 0.00 0.00 44.72 43.67 1ao8 s GLY 14 CO 0.65 -0.45 0.50 1.25 0.00 0.00 0.00 173.10 175.06 1ao8 s LYS 15 N -2.43 0.43 -1.84 2.90 2.20 0.18 -3.30 119.74 117.88 1ao8 s LYS 15 Ca 0.18 1.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.89 1ao8 s LYS 15 Cb -0.04 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 1ao8 s LYS 15 CO 0.13 -0.32 0.00 -0.25 -0.36 0.00 0.00 175.35 174.55 1ao8 n ASP 16 N 5.41 -5.60 0.00 1.43 8.00 -1.26 -0.85 116.55 123.67 1ao8 n ASP 16 Ca -0.08 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1ao8 n ASP 16 Cb 0.50 -4.75 0.00 0.00 -0.02 0.00 0.00 41.12 36.84 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 -0.81 0.52 3.26 0.44 0.00 -1.26 -5.04 105.19 102.30 1ao8 n GLY 17 Ca -0.23 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.00 -0.14 0.39 1.61 -3.43 -0.03 -4.53 115.29 107.16 1ao8 s HIS 18 Ca 0.00 0.05 -0.25 0.00 -0.80 0.00 0.00 55.06 54.06 1ao8 s HIS 18 Cb 0.00 0.11 -0.09 0.00 -1.43 0.00 0.00 32.58 31.17 1ao8 s HIS 18 CO 0.00 -0.49 1.11 -0.51 -2.00 0.00 0.00 174.74 172.85 1ao8 s LEU 19 N -1.92 4.21 0.05 5.38 1.43 -1.26 0.52 118.68 127.08 1ao8 s LEU 19 Ca -0.07 2.20 -0.12 0.00 -1.03 0.00 0.00 54.13 55.12 1ao8 s LEU 19 Cb -0.02 -4.05 -0.33 0.00 0.03 0.00 0.00 46.19 41.82 1ao8 s LEU 19 CO -0.02 -0.54 1.05 1.55 0.23 0.00 0.00 176.35 178.62 1ao8 h PRO 20 N 2.70 0.47 -6.84 1.29 0.13 -1.90 -3.46 132.00 124.38 1ao8 h PRO 20 Ca -0.48 -0.78 -0.48 0.00 -0.87 0.00 0.00 66.00 63.38 1ao8 h PRO 20 Cb 1.22 0.29 0.05 0.00 0.13 0.00 0.00 31.00 32.70 1ao8 h PRO 20 CO 0.63 1.37 -0.01 1.67 -0.23 0.00 0.00 178.00 181.43 1ao8 s TRP 21 N -2.64 1.47 -0.40 1.56 -2.14 -1.26 -5.09 118.94 110.44 1ao8 s TRP 21 Ca -0.07 -0.54 0.01 0.00 2.66 0.00 0.00 56.10 58.15 1ao8 s TRP 21 Cb 0.05 -2.54 0.13 0.00 -3.10 0.00 0.00 33.47 28.01 1ao8 s TRP 21 CO 0.93 -1.39 0.21 -1.58 -2.66 0.00 0.00 176.95 172.45 1ao8 s HIS 22 N -2.87 1.67 -0.28 1.66 2.46 -1.26 -5.08 115.29 111.59 1ao8 s HIS 22 Ca 0.64 -2.13 -0.01 0.00 0.47 0.00 0.00 55.06 54.02 1ao8 s HIS 22 Cb -0.05 -1.65 0.04 0.00 -0.13 0.00 0.00 32.58 30.78 1ao8 s HIS 22 CO 0.41 -0.81 -0.04 -1.17 -2.47 0.00 0.00 174.74 170.67 1ao8 s LEU 23 N 0.73 3.59 0.17 8.88 2.96 -1.26 -4.96 118.68 128.78 1ao8 s LEU 23 Ca 0.16 -1.16 0.09 0.00 -0.22 0.00 0.00 54.13 53.00 1ao8 s LEU 23 Cb -0.23 -1.67 -0.07 0.00 0.50 0.00 0.00 46.19 44.71 1ao8 s LEU 23 CO -0.04 -0.21 1.36 1.55 -1.32 0.00 0.00 176.35 177.69 1ao8 h PRO 24 N 7.97 0.00 -0.56 0.98 0.13 -1.99 -3.21 132.00 135.31 1ao8 h PRO 24 Ca -0.25 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.81 1ao8 h PRO 24 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1ao8 h PRO 24 CO 0.54 0.87 0.06 0.22 -0.23 0.00 0.00 178.00 179.46 1ao8 h ASP 25 N 0.00 0.88 0.58 1.44 1.82 -2.00 -2.47 116.42 116.66 1ao8 h ASP 25 Ca -0.01 -0.20 -0.14 0.00 -0.39 0.00 0.00 57.03 56.29 1ao8 h ASP 25 Cb 1.61 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 41.37 1ao8 h ASP 25 CO 0.11 0.90 -0.63 -0.78 -1.61 0.00 0.00 179.24 177.24 1ao8 h ASP 26 N 0.86 0.05 -0.02 2.28 3.58 -1.99 -2.95 116.42 118.24 1ao8 h ASP 26 Ca 0.17 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1ao8 h ASP 26 Cb 0.42 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1ao8 h ASP 26 CO 0.01 0.67 -0.04 -0.07 -2.88 0.00 0.00 179.24 176.93 1ao8 h LEU 27 N 0.03 0.15 -1.06 2.28 3.38 -1.45 -1.59 115.31 117.05 1ao8 h LEU 27 Ca -0.01 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1ao8 h LEU 27 Cb 1.11 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1ao8 h LEU 27 CO 0.08 0.22 -0.22 0.45 0.09 0.00 0.00 178.44 179.07 1ao8 h HIS 28 N 0.17 0.45 -0.11 1.13 3.86 -1.37 -2.39 115.15 116.88 1ao8 h HIS 28 Ca 0.04 -0.08 -0.12 0.00 -1.16 0.00 0.00 60.37 59.05 1ao8 h HIS 28 Cb 0.19 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1ao8 h HIS 28 CO 0.00 0.60 -0.46 -0.92 0.86 0.00 0.00 177.93 178.02 1ao8 h TYR 29 N 0.37 0.32 -0.32 2.45 3.20 -1.37 -2.28 116.97 119.34 1ao8 h TYR 29 Ca 0.06 -0.10 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 1ao8 h TYR 29 Cb 0.59 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1ao8 h TYR 29 CO 0.02 0.68 -0.29 0.35 -1.64 0.00 0.00 178.16 177.28 1ao8 h PHE 30 N 0.22 0.91 -0.07 -3.82 3.57 -1.21 -2.30 116.94 114.24 1ao8 h PHE 30 Ca 0.01 -0.27 -0.07 0.00 3.53 0.00 0.00 57.97 61.17 1ao8 h PHE 30 Cb 0.89 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1ao8 h PHE 30 CO 0.02 1.03 -0.30 -0.09 -2.23 0.00 0.00 178.31 176.73 1ao8 h ARG 31 N 0.53 0.12 -0.01 1.11 2.43 -1.33 -2.38 114.38 114.84 1ao8 h ARG 31 Ca 0.05 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 1ao8 h ARG 31 Cb 0.86 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 1ao8 h ARG 31 CO 0.07 0.42 -0.62 0.00 -1.51 0.00 0.00 179.97 178.32 1ao8 h ALA 32 N 1.59 0.94 -0.98 2.80 0.00 -1.22 -2.74 119.26 119.65 1ao8 h ALA 32 Ca 0.01 -0.57 -0.66 0.00 0.00 0.00 0.00 54.91 53.70 1ao8 h ALA 32 Cb 0.59 -0.10 -0.30 0.00 0.00 0.00 0.00 17.79 17.99 1ao8 h ALA 32 CO 0.04 0.77 0.73 1.04 0.00 0.00 0.00 179.25 181.84 1ao8 n GLN 33 N -3.81 2.73 0.00 0.00 1.13 -0.88 -4.41 117.38 112.14 1ao8 n GLN 33 Ca -0.01 -3.34 0.00 0.00 -1.94 0.00 0.00 57.00 51.70 1ao8 n GLN 33 Cb 0.62 -2.28 0.00 0.00 0.11 0.00 0.00 30.24 28.69 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 -0.92 0.00 -1.79 5.09 -2.24 -1.14 -4.97 114.28 108.31 1ao8 n THR 34 Ca 0.61 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.97 1ao8 n THR 34 Cb 0.74 -0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.54 2.20 -0.46 2.28 -7.23 -1.04 -1.85 120.40 112.77 1ao8 s VAL 35 Ca 0.00 0.15 -0.00 0.00 -1.81 0.00 0.00 61.98 60.32 1ao8 s VAL 35 Cb 0.00 -3.09 0.00 0.00 0.56 0.00 0.00 36.38 33.85 1ao8 s VAL 35 CO 0.00 0.01 0.02 0.61 -0.31 0.00 0.00 175.10 175.43 1ao8 n GLY 36 N 3.75 0.17 3.29 2.32 0.00 -1.25 -5.01 105.19 108.46 1ao8 n GLY 36 Ca 0.15 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.52 0.82 -3.50 1.61 5.02 -0.77 -4.69 118.16 115.12 1ao8 n LYS 37 Ca -0.06 -2.40 -0.42 0.00 -2.02 0.00 0.00 58.31 53.40 1ao8 n LYS 37 Cb 0.55 2.55 -0.07 0.00 -0.02 0.00 0.00 35.03 38.03 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 -2.55 4.46 -0.21 -0.18 1.01 -0.80 -3.15 121.20 119.79 1ao8 s ILE 38 Ca 0.22 -1.77 -0.29 0.00 0.00 0.00 0.00 60.65 58.81 1ao8 s ILE 38 Cb -0.02 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1ao8 s ILE 38 CO 0.16 -0.81 1.02 -0.32 0.00 0.00 0.00 174.94 174.99 1ao8 s MET 39 N 1.35 4.29 -0.21 2.79 1.75 -0.45 -1.35 119.30 127.46 1ao8 s MET 39 Ca 0.06 1.34 -0.07 0.00 -1.25 0.00 0.00 55.69 55.76 1ao8 s MET 39 Cb -0.26 -3.62 -0.04 0.00 2.84 0.00 0.00 34.83 33.75 1ao8 s MET 39 CO -0.00 -0.56 0.07 0.08 -0.65 0.00 0.00 175.02 173.95 1ao8 s VAL 40 N 2.94 4.56 0.13 10.11 1.01 -0.69 -1.78 120.40 136.68 1ao8 s VAL 40 Ca 0.44 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.35 1ao8 s VAL 40 Cb -0.16 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1ao8 s VAL 40 CO 0.08 0.40 -0.07 0.68 0.00 0.00 0.00 175.10 176.19 1ao8 s VAL 41 N 0.95 0.91 0.00 2.92 -7.23 -0.81 -2.44 120.40 114.70 1ao8 s VAL 41 Ca 0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1ao8 s VAL 41 Cb -0.14 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 34.99 1ao8 s VAL 41 CO 0.03 -0.77 0.00 0.61 -0.31 0.00 0.00 175.10 174.66 1ao8 n GLY 42 N -0.14 0.95 0.10 2.32 0.00 -0.14 -2.48 105.19 105.79 1ao8 n GLY 42 Ca -0.11 -1.86 -0.18 0.00 0.00 0.00 0.00 46.02 43.88 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 0.16 -0.65 1.61 2.43 -1.91 -2.24 114.38 113.78 1ao8 h ARG 43 Ca 0.00 -0.27 -0.07 0.00 -0.81 0.00 0.00 59.98 58.82 1ao8 h ARG 43 Cb 0.00 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1ao8 h ARG 43 CO 0.00 1.13 0.11 0.00 -1.51 0.00 0.00 179.97 179.70 1ao8 h ARG 44 N -0.66 1.07 -0.28 0.20 3.08 -1.96 -1.94 114.38 113.89 1ao8 h ARG 44 Ca -0.10 -0.28 -0.14 0.00 0.07 0.00 0.00 59.98 59.53 1ao8 h ARG 44 Cb 1.36 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1ao8 h ARG 44 CO 0.07 0.98 -0.39 1.15 -1.07 0.00 0.00 179.97 180.71 1ao8 h THR 45 N 0.99 1.29 -0.70 2.04 2.02 -1.89 -0.56 112.91 116.10 1ao8 h THR 45 Ca 0.20 -1.55 -0.06 0.00 0.77 0.00 0.00 66.41 65.77 1ao8 h THR 45 Cb 0.43 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 1ao8 h THR 45 CO 0.01 0.50 0.20 0.22 0.37 0.00 0.00 175.52 176.82 1ao8 h TYR 46 N 0.54 1.13 0.00 3.16 3.20 -1.12 -2.50 116.97 121.38 1ao8 h TYR 46 Ca 0.05 -0.11 -0.09 0.00 3.14 0.00 0.00 58.73 61.72 1ao8 h TYR 46 Cb 0.91 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1ao8 h TYR 46 CO 0.04 0.90 -0.41 0.93 -1.64 0.00 0.00 178.16 177.98 1ao8 h GLU 47 N 1.04 0.00 0.00 1.82 5.08 -1.20 -3.20 114.58 118.12 1ao8 h GLU 47 Ca 0.22 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1ao8 h GLU 47 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1ao8 h GLU 47 CO -0.00 0.41 -0.12 1.03 -1.00 0.00 0.00 179.01 179.33 1ao8 h SER 48 N 0.00 0.00 -4.18 1.42 0.87 -0.63 -3.43 113.55 107.60 1ao8 h SER 48 Ca -0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.04 1ao8 h SER 48 Cb 1.28 0.00 0.12 0.00 -0.44 0.00 0.00 62.40 63.37 1ao8 h SER 48 CO 0.05 0.12 0.39 -0.36 -0.53 0.00 0.00 176.83 176.50 1ao8 s PHE 49 N -4.68 2.40 -0.11 2.24 0.08 -1.18 -4.99 117.98 111.75 1ao8 s PHE 49 Ca -0.04 1.57 -0.03 0.00 0.12 0.00 0.00 56.93 58.55 1ao8 s PHE 49 Cb 0.16 -3.30 -0.02 0.00 -0.57 0.00 0.00 43.02 39.28 1ao8 s PHE 49 CO 0.66 -2.04 0.06 -1.00 -0.10 0.00 0.00 175.22 172.80 1ao8 h PRO 50 N 0.03 0.00 -4.67 0.24 0.13 -1.90 -3.44 132.00 122.40 1ao8 h PRO 50 Ca -0.47 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.96 1ao8 h PRO 50 Cb 1.27 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.16 1ao8 h PRO 50 CO 0.53 0.08 -0.54 0.21 -0.23 0.00 0.00 178.00 178.05 1ao8 s LYS 51 N -1.64 3.00 0.01 0.86 2.47 -1.26 -5.08 119.74 118.10 1ao8 s LYS 51 Ca -0.02 -0.95 0.07 0.00 -1.56 0.00 0.00 55.97 53.51 1ao8 s LYS 51 Cb -0.00 -3.65 -0.03 0.00 -1.46 0.00 0.00 37.83 32.70 1ao8 s LYS 51 CO 0.07 -0.59 -0.23 1.03 0.16 0.00 0.00 175.35 175.79 1ao8 s ARG 52 N 1.56 2.08 0.52 4.03 0.52 -1.26 -3.80 118.95 122.60 1ao8 s ARG 52 Ca 0.03 -0.95 -0.13 0.00 -0.52 0.00 0.00 55.73 54.15 1ao8 s ARG 52 Cb -0.18 -2.11 -0.06 0.00 0.52 0.00 0.00 34.95 33.12 1ao8 s ARG 52 CO 0.06 0.55 0.94 -1.25 0.02 0.00 0.00 175.30 175.63 1ao8 s PRO 53 N -0.97 3.80 -0.01 3.54 0.04 -1.26 -5.05 135.00 135.09 1ao8 s PRO 53 Ca 0.12 0.75 -0.30 0.00 0.04 0.00 0.00 61.00 61.61 1ao8 s PRO 53 Cb -0.10 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 1ao8 s PRO 53 CO 0.01 -0.30 1.31 -0.51 0.04 0.00 0.00 177.00 177.55 1ao8 s LEU 54 N -4.36 4.31 0.82 -3.56 1.43 -1.25 -5.02 118.68 111.06 1ao8 s LEU 54 Ca 0.56 2.00 -0.12 0.00 -1.03 0.00 0.00 54.13 55.54 1ao8 s LEU 54 Cb -0.10 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.64 1ao8 s LEU 54 CO 0.38 -0.64 1.18 -2.16 0.23 0.00 0.00 176.35 175.33 1ao8 s PRO 55 N 2.15 1.86 -1.72 1.29 0.04 -1.26 -4.14 135.00 133.22 1ao8 s PRO 55 Ca 0.60 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1ao8 s PRO 55 Cb -0.29 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1ao8 s PRO 55 CO 0.25 -1.67 0.00 0.39 0.04 0.00 0.00 177.00 176.01 1ao8 n GLU 56 N -3.37 -1.59 -3.64 4.56 4.71 -1.26 -4.93 120.64 115.11 1ao8 n GLU 56 Ca 0.08 0.97 -0.03 0.00 -0.01 0.00 0.00 57.16 58.17 1ao8 n GLU 56 Cb 0.61 -5.58 -0.06 0.00 -1.01 0.00 0.00 31.44 25.40 1ao8 n GLU 56 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 1ao8 s ARG 57 N -4.96 0.13 -0.18 3.49 1.70 -1.26 -3.74 118.95 114.13 1ao8 s ARG 57 Ca 0.00 0.09 -0.25 0.00 -0.47 0.00 0.00 55.73 55.10 1ao8 s ARG 57 Cb 0.00 0.06 -0.01 0.00 -0.57 0.00 0.00 34.95 34.43 1ao8 s ARG 57 CO 0.00 -0.03 0.83 0.99 -1.08 0.00 0.00 175.30 176.01 1ao8 s THR 58 N -0.46 4.88 -0.09 4.99 2.01 -1.19 -4.85 115.64 120.93 1ao8 s THR 58 Ca 0.07 1.62 -0.12 0.00 0.31 0.00 0.00 61.69 63.57 1ao8 s THR 58 Cb -0.03 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 1ao8 s THR 58 CO -0.11 0.01 0.28 0.20 -0.69 0.00 0.00 174.62 174.32 1ao8 s ASN 59 N 1.18 6.55 -0.26 3.53 0.01 -1.26 -1.33 114.94 123.35 1ao8 s ASN 59 Ca 0.38 0.65 0.00 0.00 -0.71 0.00 0.00 52.86 53.18 1ao8 s ASN 59 Cb -0.16 -2.17 0.08 0.00 0.41 0.00 0.00 41.25 39.40 1ao8 s ASN 59 CO 0.12 0.28 0.01 -0.69 -1.51 0.00 0.00 177.10 175.31 1ao8 s VAL 60 N -0.57 1.36 -0.46 1.60 1.01 -0.73 -2.31 120.40 120.29 1ao8 s VAL 60 Ca 0.18 -1.35 -0.24 0.00 0.00 0.00 0.00 61.98 60.57 1ao8 s VAL 60 Cb -0.14 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.46 1ao8 s VAL 60 CO 0.07 -0.33 0.85 -0.69 0.00 0.00 0.00 175.10 175.00 1ao8 s VAL 61 N 1.43 4.57 -0.49 2.92 1.01 -0.94 -1.93 120.40 126.97 1ao8 s VAL 61 Ca 0.01 0.56 -0.17 0.00 0.00 0.00 0.00 61.98 62.39 1ao8 s VAL 61 Cb -0.18 -4.37 0.07 0.00 0.00 0.00 0.00 36.38 31.90 1ao8 s VAL 61 CO -0.11 -0.78 0.47 -0.22 0.00 0.00 0.00 175.10 174.46 1ao8 s LEU 62 N 3.50 5.49 0.19 3.92 2.96 -1.04 -2.53 118.68 131.17 1ao8 s LEU 62 Ca 0.33 -1.26 0.01 0.00 -0.22 0.00 0.00 54.13 52.99 1ao8 s LEU 62 Cb -0.11 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 44.28 1ao8 s LEU 62 CO 0.24 -0.74 0.05 0.28 -1.32 0.00 0.00 176.35 174.87 1ao8 s THR 63 N 1.92 0.47 -0.57 3.68 -1.32 -1.21 -4.51 115.64 114.09 1ao8 s THR 63 Ca 0.07 -1.97 0.00 0.00 -1.21 0.00 0.00 61.69 58.58 1ao8 s THR 63 Cb -0.23 -2.28 0.53 0.00 -1.51 0.00 0.00 72.50 69.01 1ao8 s THR 63 CO 0.08 -0.30 1.98 1.57 -2.21 0.00 0.00 174.62 175.74 1ao8 n HIS 64 N -0.27 3.12 -3.84 9.09 -0.00 -1.26 -4.46 115.22 117.60 1ao8 n HIS 64 Ca -0.04 -2.52 -0.15 0.00 0.46 0.00 0.00 57.72 55.48 1ao8 n HIS 64 Cb 0.64 -1.23 -0.16 0.00 -0.12 0.00 0.00 29.99 29.12 1ao8 n HIS 64 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 1ao8 s GLN 65 N -3.55 0.06 -0.40 1.57 0.74 -1.26 -5.02 119.66 111.79 1ao8 s GLN 65 Ca 0.61 0.12 0.05 0.00 0.05 0.00 0.00 55.36 56.18 1ao8 s GLN 65 Cb 0.49 -0.27 0.64 0.00 1.10 0.00 0.00 33.01 34.97 1ao8 s GLN 65 CO 0.04 -0.13 1.85 -0.85 -0.55 0.00 0.00 175.29 175.65 1ao8 n GLU 66 N 3.98 2.38 -0.05 1.67 0.28 -1.26 -4.17 120.64 123.46 1ao8 n GLU 66 Ca -0.25 -2.83 -0.05 0.00 -0.16 0.00 0.00 57.16 53.87 1ao8 n GLU 66 Cb 0.52 -2.12 -0.07 0.00 1.43 0.00 0.00 31.44 31.20 1ao8 n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ao8 n ASP 67 N -0.91 2.66 -4.59 -1.84 8.00 -1.26 -4.92 116.55 113.69 1ao8 n ASP 67 Ca 0.54 -0.01 -0.41 0.00 0.71 0.00 0.00 54.79 55.62 1ao8 n ASP 67 Cb 1.57 0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 43.28 1ao8 n ASP 67 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1ao8 s TYR 68 N -2.24 1.33 -0.31 1.24 5.04 -1.26 -4.93 117.35 116.23 1ao8 s TYR 68 Ca -0.06 0.80 -0.20 0.00 -2.44 0.00 0.00 57.07 55.16 1ao8 s TYR 68 Cb 0.03 -3.91 -0.01 0.00 0.35 0.00 0.00 41.96 38.42 1ao8 s TYR 68 CO 0.38 -3.36 0.64 -0.65 -1.34 0.00 0.00 175.55 171.22 1ao8 s GLN 69 N 6.65 3.89 -0.04 4.97 -0.21 -1.26 -5.01 119.66 128.65 1ao8 s GLN 69 Ca 0.93 0.31 -0.19 0.00 0.02 0.00 0.00 55.36 56.42 1ao8 s GLN 69 Cb -0.26 -3.73 -0.05 0.00 1.00 0.00 0.00 33.01 29.97 1ao8 s GLN 69 CO 0.32 -0.59 0.55 0.00 -2.12 0.00 0.00 175.29 173.45 1ao8 s ALA 70 N 2.63 3.50 -0.72 6.09 0.00 -1.26 -5.03 121.76 126.98 1ao8 s ALA 70 Ca 0.26 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.02 1ao8 s ALA 70 Cb -0.15 -2.69 0.18 0.00 0.00 0.00 0.00 23.12 20.46 1ao8 s ALA 70 CO 0.12 0.14 0.67 -0.65 0.00 0.00 0.00 175.76 176.03 1ao8 s GLN 71 N -0.00 3.37 0.00 0.00 -0.21 -1.26 -4.32 119.66 117.24 1ao8 s GLN 71 Ca 0.29 -2.17 0.00 0.00 0.02 0.00 0.00 55.36 53.50 1ao8 s GLN 71 Cb -0.17 -4.38 0.00 0.00 1.00 0.00 0.00 33.01 29.46 1ao8 s GLN 71 CO 0.15 -1.31 0.00 0.41 -2.12 0.00 0.00 175.29 172.42 1ao8 n GLY 72 N 4.47 2.03 3.96 3.09 0.00 -1.26 -4.40 105.19 113.07 1ao8 n GLY 72 Ca 0.03 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.20 3.85 0.35 4.61 0.00 -1.26 -4.88 121.76 122.21 1ao8 s ALA 73 Ca 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 1ao8 s ALA 73 Cb 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1ao8 s ALA 73 CO 0.00 -0.08 0.57 0.08 0.00 0.00 0.00 175.76 176.33 1ao8 s VAL 74 N -2.30 5.08 -0.06 0.00 1.01 -0.98 -4.67 120.40 118.48 1ao8 s VAL 74 Ca 0.42 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.11 1ao8 s VAL 74 Cb -0.10 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.45 1ao8 s VAL 74 CO 0.34 -0.54 -0.14 -0.69 0.00 0.00 0.00 175.10 174.07 1ao8 s VAL 75 N -2.31 1.27 0.15 2.92 1.01 -1.26 -2.21 120.40 119.97 1ao8 s VAL 75 Ca 0.41 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1ao8 s VAL 75 Cb -0.10 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1ao8 s VAL 75 CO 0.36 0.38 -0.11 0.68 0.00 0.00 0.00 175.10 176.40 1ao8 s VAL 76 N 0.37 1.26 -0.20 2.92 -7.23 -1.05 -4.98 120.40 111.49 1ao8 s VAL 76 Ca -0.10 -2.02 0.21 0.00 -1.81 0.00 0.00 61.98 58.26 1ao8 s VAL 76 Cb -0.14 -1.82 0.48 0.00 0.56 0.00 0.00 36.38 35.47 1ao8 s VAL 76 CO 0.03 -0.68 1.14 1.41 -0.31 0.00 0.00 175.10 176.69 1ao8 n HIS 77 N -0.10 1.07 -3.65 2.82 8.25 -1.26 -3.35 115.22 118.99 1ao8 n HIS 77 Ca -0.11 -1.73 -0.02 0.00 -0.26 0.00 0.00 57.72 55.60 1ao8 n HIS 77 Cb 0.60 -0.22 -0.07 0.00 1.12 0.00 0.00 29.99 31.42 1ao8 n HIS 77 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1ao8 s ASP 78 N -3.33 -0.16 0.47 0.41 -4.77 -1.26 -5.01 116.67 103.02 1ao8 s ASP 78 Ca 0.32 0.28 0.16 0.00 -3.30 0.00 0.00 52.55 50.01 1ao8 s ASP 78 Cb 0.35 0.57 1.10 0.00 -1.09 0.00 0.00 42.92 43.85 1ao8 s ASP 78 CO -0.06 -0.05 2.04 0.58 0.70 0.00 0.00 175.17 178.38 1ao8 h VAL 79 N 3.84 1.06 -0.75 2.11 2.07 -1.98 -2.02 116.25 120.58 1ao8 h VAL 79 Ca -0.27 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1ao8 h VAL 79 Cb 1.18 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1ao8 h VAL 79 CO 0.19 0.13 0.35 0.00 0.02 0.00 0.00 177.57 178.26 1ao8 h ALA 80 N 1.86 1.20 -0.23 1.67 0.00 -1.99 -1.47 119.26 120.30 1ao8 h ALA 80 Ca -0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1ao8 h ALA 80 Cb 0.25 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ao8 h ALA 80 CO 0.02 0.60 -0.58 0.00 0.00 0.00 0.00 179.25 179.30 1ao8 h ALA 81 N 1.31 0.54 -0.40 0.00 0.00 -1.78 -1.40 119.26 117.54 1ao8 h ALA 81 Ca 0.26 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1ao8 h ALA 81 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1ao8 h ALA 81 CO -0.03 0.69 0.09 0.28 0.00 0.00 0.00 179.25 180.27 1ao8 h VAL 82 N 0.56 1.19 0.06 0.00 2.07 -1.11 -2.19 116.25 116.82 1ao8 h VAL 82 Ca 0.00 -0.68 -0.23 0.00 0.82 0.00 0.00 66.70 66.61 1ao8 h VAL 82 Cb 1.16 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1ao8 h VAL 82 CO 0.12 0.25 -1.06 -0.26 0.02 0.00 0.00 177.57 176.63 1ao8 h PHE 83 N 0.59 0.32 -0.56 1.57 0.04 -1.15 -3.05 116.94 114.69 1ao8 h PHE 83 Ca 0.13 -0.21 -0.04 0.00 2.80 0.00 0.00 57.97 60.65 1ao8 h PHE 83 Cb 0.24 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 1ao8 h PHE 83 CO 0.01 1.12 0.17 0.00 -0.60 0.00 0.00 178.31 179.01 1ao8 h ALA 84 N 0.80 1.24 -0.19 2.45 0.00 -0.76 0.53 119.26 123.33 1ao8 h ALA 84 Ca -0.07 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 1ao8 h ALA 84 Cb 1.77 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1ao8 h ALA 84 CO 0.16 0.53 -0.57 -0.92 0.00 0.00 0.00 179.25 178.46 1ao8 h TYR 85 N 0.82 0.75 0.08 0.00 3.20 -1.44 -1.53 116.97 118.85 1ao8 h TYR 85 Ca 0.19 -0.27 -0.27 0.00 3.14 0.00 0.00 58.73 61.51 1ao8 h TYR 85 Cb 0.25 -0.14 0.02 0.00 1.54 0.00 0.00 36.73 38.40 1ao8 h TYR 85 CO 0.02 1.02 -1.15 0.00 -1.64 0.00 0.00 178.16 176.41 1ao8 h ALA 86 N 0.92 0.13 -0.21 1.82 0.00 -1.33 -2.85 119.26 117.73 1ao8 h ALA 86 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 54.91 54.05 1ao8 h ALA 86 Cb 1.13 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1ao8 h ALA 86 CO 0.11 0.78 -0.29 -0.22 0.00 0.00 0.00 179.25 179.63 1ao8 h LYS 87 N 0.24 0.42 0.00 0.00 3.64 0.06 -2.65 116.57 118.28 1ao8 h LYS 87 Ca -0.14 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 58.95 1ao8 h LYS 87 Cb 1.82 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.60 1ao8 h LYS 87 CO 0.21 0.67 -0.59 1.96 -2.27 0.00 0.00 179.45 179.43 1ao8 h GLN 88 N 0.37 0.00 -3.34 1.90 4.20 -1.30 -3.35 115.11 113.59 1ao8 h GLN 88 Ca 0.05 0.00 -0.71 0.00 0.06 0.00 0.00 58.65 58.05 1ao8 h GLN 88 Cb 0.70 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 28.13 1ao8 h GLN 88 CO 0.05 0.59 -0.04 -1.01 -0.67 0.00 0.00 178.83 177.75 1ao8 s HIS 89 N -3.59 3.94 0.25 2.96 3.76 -1.00 -4.90 115.29 116.71 1ao8 s HIS 89 Ca -0.01 -3.00 -0.04 0.00 -0.15 0.00 0.00 55.06 51.86 1ao8 s HIS 89 Cb 0.12 -3.30 0.44 0.00 1.11 0.00 0.00 32.58 30.95 1ao8 s HIS 89 CO 0.75 -0.76 1.77 -1.35 -0.85 0.00 0.00 174.74 174.30 1ao8 h PRO 90 N 6.07 0.58 -0.28 8.40 0.10 -1.70 -0.01 132.00 145.16 1ao8 h PRO 90 Ca 0.16 -0.03 -0.03 0.00 0.10 0.00 0.00 66.00 66.19 1ao8 h PRO 90 Cb 0.82 -0.13 -0.02 0.00 0.10 0.00 0.00 31.00 31.77 1ao8 h PRO 90 CO 0.87 0.38 0.02 -0.44 0.10 0.00 0.00 178.00 178.93 1ao8 h ASP 91 N 0.60 0.37 -3.32 -2.05 5.19 -1.90 -3.41 116.42 111.90 1ao8 h ASP 91 Ca 0.41 -0.05 -0.57 0.00 -0.62 0.00 0.00 57.03 56.20 1ao8 h ASP 91 Cb 0.53 -0.10 -0.07 0.00 0.18 0.00 0.00 39.33 39.88 1ao8 h ASP 91 CO -0.33 0.42 -0.06 -1.10 -3.12 0.00 0.00 179.24 175.05 1ao8 s GLN 92 N -5.02 4.34 0.44 3.56 -1.52 -0.02 -5.00 119.66 116.44 1ao8 s GLN 92 Ca -0.07 0.62 0.08 0.00 -1.95 0.00 0.00 55.36 54.04 1ao8 s GLN 92 Cb 0.16 -3.41 0.01 0.00 -0.22 0.00 0.00 33.01 29.56 1ao8 s GLN 92 CO 0.74 0.21 0.56 -1.21 -0.25 0.00 0.00 175.29 175.34 1ao8 s GLU 93 N 0.40 2.71 -0.15 2.91 0.41 -1.26 -4.80 118.70 118.91 1ao8 s GLU 93 Ca 0.30 -1.35 -0.07 0.00 -0.41 0.00 0.00 54.97 53.43 1ao8 s GLU 93 Cb -0.17 -2.67 -0.04 0.00 -1.78 0.00 0.00 34.13 29.47 1ao8 s GLU 93 CO 0.14 -0.33 0.09 -1.17 -0.49 0.00 0.00 175.26 173.50 1ao8 s LEU 94 N -4.35 4.04 -0.01 1.80 2.96 -1.26 -1.90 118.68 119.96 1ao8 s LEU 94 Ca 0.54 0.24 0.07 0.00 -0.22 0.00 0.00 54.13 54.76 1ao8 s LEU 94 Cb -0.08 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 1ao8 s LEU 94 CO 0.33 0.27 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.72 1ao8 s VAL 95 N -0.22 1.71 -0.28 1.68 1.01 -0.46 -0.79 120.40 123.06 1ao8 s VAL 95 Ca 0.09 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 1ao8 s VAL 95 Cb -0.12 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1ao8 s VAL 95 CO 0.01 0.46 0.01 -0.63 0.00 0.00 0.00 175.10 174.95 1ao8 s ILE 96 N -0.53 3.33 -0.25 2.22 -1.09 0.78 -1.71 121.20 123.95 1ao8 s ILE 96 Ca 0.08 -0.96 -0.04 0.00 -2.23 0.00 0.00 60.65 57.51 1ao8 s ILE 96 Cb -0.08 -2.74 -0.16 0.00 -1.58 0.00 0.00 42.46 37.89 1ao8 s ILE 96 CO -0.01 0.10 -0.20 0.00 -1.23 0.00 0.00 174.94 173.60 1ao8 n ALA 97 N 4.74 1.31 0.00 9.38 0.00 -1.02 -2.24 120.51 132.68 1ao8 n ALA 97 Ca -0.15 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.24 1ao8 n ALA 97 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 1.93 -1.64 0.00 0.00 0.00 -1.25 -4.76 105.19 99.47 1ao8 n GLY 98 Ca -0.47 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.46 1.01 0.19 -0.02 0.00 -1.26 -0.96 105.19 103.68 1ao8 n GLY 99 Ca 0.00 -1.48 0.03 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.89 1.39 -0.03 4.61 0.00 -1.93 -2.31 119.26 119.10 1ao8 h ALA 100 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1ao8 h ALA 100 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ao8 h ALA 100 CO 0.00 0.45 -0.07 0.37 0.00 0.00 0.00 179.25 180.00 1ao8 h GLN 101 N 0.00 0.04 0.13 0.00 4.15 -2.00 -0.96 115.11 116.46 1ao8 h GLN 101 Ca -0.00 -0.01 -0.32 0.00 0.77 0.00 0.00 58.65 59.09 1ao8 h GLN 101 Cb 0.64 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 1ao8 h GLN 101 CO 0.05 0.12 -1.60 0.82 -1.93 0.00 0.00 178.83 176.28 1ao8 h ILE 102 N 0.04 1.07 -0.11 2.39 1.08 -1.69 -3.17 117.51 117.12 1ao8 h ILE 102 Ca 0.01 -2.71 -0.06 0.00 -0.39 0.00 0.00 64.86 61.71 1ao8 h ILE 102 Cb 0.16 2.73 -0.01 0.00 -3.07 0.00 0.00 36.82 36.63 1ao8 h ILE 102 CO 0.01 0.81 -0.18 -0.26 -0.69 0.00 0.00 178.15 177.84 1ao8 h PHE 103 N 0.07 0.20 -0.04 1.37 0.04 -0.97 -2.31 116.94 115.31 1ao8 h PHE 103 Ca -0.27 -0.03 -0.18 0.00 2.80 0.00 0.00 57.97 60.29 1ao8 h PHE 103 Cb 2.03 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 40.12 1ao8 h PHE 103 CO 0.07 0.37 -0.75 1.15 -0.60 0.00 0.00 178.31 178.55 1ao8 h THR 104 N 0.18 1.43 -0.38 -1.55 2.02 -1.28 -1.89 112.91 111.44 1ao8 h THR 104 Ca 0.03 -2.28 -0.05 0.00 0.77 0.00 0.00 66.41 64.88 1ao8 h THR 104 Cb 0.43 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 1ao8 h THR 104 CO 0.03 0.67 0.03 0.00 0.37 0.00 0.00 175.52 176.62 1ao8 h ALA 105 N 1.04 0.51 -0.89 6.16 0.00 -1.40 -3.04 119.26 121.65 1ao8 h ALA 105 Ca -0.03 -0.24 -0.59 0.00 0.00 0.00 0.00 54.91 54.05 1ao8 h ALA 105 Cb 1.32 -0.14 -0.31 0.00 0.00 0.00 0.00 17.79 18.66 1ao8 h ALA 105 CO 0.12 0.25 0.37 1.19 0.00 0.00 0.00 179.25 181.18 1ao8 n PHE 106 N -4.50 2.93 0.08 0.00 3.72 -1.01 -4.57 117.46 114.11 1ao8 n PHE 106 Ca -0.01 -2.61 -0.08 0.00 -0.05 0.00 0.00 57.45 54.70 1ao8 n PHE 106 Cb 0.26 -1.06 -0.05 0.00 -0.94 0.00 0.00 39.48 37.69 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 1.87 0.10 -0.94 -1.08 3.64 -1.21 -3.24 116.57 115.71 1ao8 h LYS 107 Ca 0.52 -0.13 -0.59 0.00 -1.27 0.00 0.00 60.65 59.19 1ao8 h LYS 107 Cb 1.25 0.04 -0.29 0.00 -0.41 0.00 0.00 32.23 32.82 1ao8 h LYS 107 CO 1.25 0.97 0.62 -0.25 -2.27 0.00 0.00 179.45 179.76 1ao8 n ASP 108 N -3.53 5.90 -2.71 4.20 9.92 -1.26 -4.45 116.55 124.62 1ao8 n ASP 108 Ca -0.02 -3.73 -0.08 0.00 -0.53 0.00 0.00 54.79 50.43 1ao8 n ASP 108 Cb 0.87 -0.86 0.10 0.00 -0.64 0.00 0.00 41.12 40.59 1ao8 n ASP 108 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1ao8 n ASP 109 N -0.99 -1.52 -4.08 -2.24 9.92 -1.22 -5.13 116.55 111.29 1ao8 n ASP 109 Ca 0.59 -2.65 -0.13 0.00 -0.53 0.00 0.00 54.79 52.06 1ao8 n ASP 109 Cb 1.03 0.92 -0.11 0.00 -0.64 0.00 0.00 41.12 42.31 1ao8 n ASP 109 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ao8 s VAL 110 N -0.23 0.62 0.00 2.53 0.11 -1.26 -4.64 120.40 117.53 1ao8 s VAL 110 Ca 0.23 -1.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 1ao8 s VAL 110 Cb 0.39 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 34.49 1ao8 s VAL 110 CO -0.07 -0.41 0.00 0.47 -3.33 0.00 0.00 175.10 171.77 1ao8 n ASP 111 N 1.31 1.03 -4.65 3.54 9.92 -1.26 -5.02 116.55 121.42 1ao8 n ASP 111 Ca -0.22 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.66 1ao8 n ASP 111 Cb 0.55 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.95 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 -1.84 5.21 -0.46 -3.53 2.01 -1.26 -3.03 115.64 112.74 1ao8 s THR 112 Ca 0.00 0.59 -0.06 0.00 0.31 0.00 0.00 61.69 62.53 1ao8 s THR 112 Cb 0.00 -3.69 0.12 0.00 0.01 0.00 0.00 72.50 68.94 1ao8 s THR 112 CO 0.00 0.23 0.29 -0.76 -0.69 0.00 0.00 174.62 173.69 1ao8 s LEU 113 N 1.55 5.47 -0.21 4.42 1.43 -0.65 -2.30 118.68 128.39 1ao8 s LEU 113 Ca 0.16 -2.07 -0.14 0.00 -1.03 0.00 0.00 54.13 51.05 1ao8 s LEU 113 Cb -0.15 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1ao8 s LEU 113 CO 0.08 -0.59 0.34 -0.76 0.23 0.00 0.00 176.35 175.65 1ao8 s LEU 114 N 1.11 4.15 0.01 1.79 1.43 0.61 -1.69 118.68 126.09 1ao8 s LEU 114 Ca 0.08 0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.58 1ao8 s LEU 114 Cb -0.24 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 1ao8 s LEU 114 CO -0.03 -0.04 0.00 0.54 0.23 0.00 0.00 176.35 177.06 1ao8 s VAL 115 N 1.24 0.07 -0.31 -1.59 0.11 -1.05 -2.31 120.40 116.57 1ao8 s VAL 115 Ca 0.16 -0.60 -0.05 0.00 -2.93 0.00 0.00 61.98 58.55 1ao8 s VAL 115 Cb -0.14 -0.21 0.03 0.00 -1.53 0.00 0.00 36.38 34.53 1ao8 s VAL 115 CO 0.07 -0.33 0.06 -0.89 -3.33 0.00 0.00 175.10 170.68 1ao8 s THR 116 N -0.99 3.64 -0.04 5.04 2.01 -0.94 -1.79 115.64 122.56 1ao8 s THR 116 Ca -0.11 -0.98 -0.23 0.00 0.31 0.00 0.00 61.69 60.68 1ao8 s THR 116 Cb -0.07 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1ao8 s THR 116 CO -0.00 -0.02 0.70 -0.13 -0.69 0.00 0.00 174.62 174.48 1ao8 s ARG 117 N 1.41 4.44 0.38 4.92 0.52 -0.82 -1.65 118.95 128.15 1ao8 s ARG 117 Ca -0.00 0.90 0.05 0.00 -0.52 0.00 0.00 55.73 56.16 1ao8 s ARG 117 Cb -0.18 -3.42 0.05 0.00 0.52 0.00 0.00 34.95 31.91 1ao8 s ARG 117 CO 0.01 0.13 0.40 1.28 0.02 0.00 0.00 175.30 177.14 1ao8 n LEU 118 N 3.52 0.00 -0.00 2.53 4.32 -0.69 -0.03 117.00 126.64 1ao8 n LEU 118 Ca -0.02 -1.81 -0.01 0.00 -0.02 0.00 0.00 56.01 54.16 1ao8 n LEU 118 Cb 0.51 -0.15 -0.00 0.00 -1.62 0.00 0.00 43.42 42.16 1ao8 n LEU 118 CO 0.47 -0.56 -0.52 0.00 -1.22 0.00 0.00 177.39 175.56 1ao8 n ALA 119 N -2.39 2.22 -1.75 -1.18 0.00 -0.54 -3.97 120.51 112.89 1ao8 n ALA 119 Ca -0.10 -0.03 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 1ao8 n ALA 119 Cb 0.41 0.49 0.04 0.00 0.00 0.00 0.00 19.45 20.39 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 -4.29 2.84 0.22 0.00 0.00 -1.13 -4.71 107.32 100.24 1ao8 s GLY 120 Ca -0.01 1.19 -0.13 0.00 0.00 0.00 0.00 44.72 45.76 1ao8 s GLY 120 CO 0.01 1.65 0.60 -0.45 0.00 0.00 0.00 173.10 174.91 1ao8 s SER 121 N -1.25 6.77 -0.11 1.64 0.15 -1.26 -4.50 113.70 115.13 1ao8 s SER 121 Ca 0.75 1.09 -0.11 0.00 0.70 0.00 0.00 55.95 58.38 1ao8 s SER 121 Cb -0.36 -2.29 0.03 0.00 -1.71 0.00 0.00 66.02 61.69 1ao8 s SER 121 CO 0.41 -0.02 0.30 -0.36 1.20 0.00 0.00 173.24 174.77 1ao8 s PHE 122 N -1.69 -0.33 -0.01 3.44 0.08 -1.26 -5.09 117.98 113.12 1ao8 s PHE 122 Ca 0.45 0.80 0.03 0.00 0.12 0.00 0.00 56.93 58.32 1ao8 s PHE 122 Cb -0.13 0.11 -0.03 0.00 -0.57 0.00 0.00 43.02 42.40 1ao8 s PHE 122 CO 0.20 -0.17 -0.06 -1.83 -0.10 0.00 0.00 175.22 173.26 1ao8 s GLU 123 N 0.10 2.61 0.00 0.44 -1.05 -1.26 -4.71 118.70 114.83 1ao8 s GLU 123 Ca -0.01 -0.68 0.00 0.00 -0.15 0.00 0.00 54.97 54.13 1ao8 s GLU 123 Cb -0.02 -2.53 0.00 0.00 -0.44 0.00 0.00 34.13 31.13 1ao8 s GLU 123 CO 0.01 0.62 0.00 0.41 0.95 0.00 0.00 175.26 177.24 1ao8 n GLY 124 N 1.66 1.95 0.04 -3.83 0.00 -1.26 -4.99 105.19 98.76 1ao8 n GLY 124 Ca -0.16 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.99 1ao8 n GLY 124 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ao8 n ASP 125 N -0.34 3.39 -4.66 1.61 2.03 -1.26 -4.96 116.55 112.36 1ao8 n ASP 125 Ca 0.00 -0.03 -0.43 0.00 0.52 0.00 0.00 54.79 54.85 1ao8 n ASP 125 Cb 0.00 0.15 -0.02 0.00 -0.72 0.00 0.00 41.12 40.52 1ao8 n ASP 125 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1ao8 s THR 126 N -2.16 4.40 0.23 5.18 2.01 -1.21 -5.02 115.64 119.07 1ao8 s THR 126 Ca -0.08 1.69 0.05 0.00 0.31 0.00 0.00 61.69 63.66 1ao8 s THR 126 Cb 0.02 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 1ao8 s THR 126 CO 0.21 -0.13 -0.05 -0.54 -0.69 0.00 0.00 174.62 173.41 1ao8 s LYS 127 N 3.29 1.36 0.33 4.92 1.02 -1.26 -2.34 119.74 127.06 1ao8 s LYS 127 Ca 0.52 -1.66 -0.25 0.00 0.02 0.00 0.00 55.97 54.59 1ao8 s LYS 127 Cb -0.20 -0.85 -0.10 0.00 -0.52 0.00 0.00 37.83 36.16 1ao8 s LYS 127 CO 0.13 0.01 0.93 1.41 -0.92 0.00 0.00 175.35 176.91 1ao8 s MET 128 N -3.77 4.51 0.92 1.68 -2.45 -1.24 -4.81 119.30 114.14 1ao8 s MET 128 Ca 0.26 1.27 -0.12 0.00 -1.25 0.00 0.00 55.69 55.86 1ao8 s MET 128 Cb 0.04 -2.71 0.14 0.00 1.25 0.00 0.00 34.83 33.55 1ao8 s MET 128 CO 0.08 0.24 1.09 0.96 1.05 0.00 0.00 175.02 178.44 1ao8 s ILE 129 N -1.70 2.55 -0.56 10.11 -4.36 -1.26 -4.95 121.20 121.03 1ao8 s ILE 129 Ca 0.52 0.18 -0.28 0.00 -0.26 0.00 0.00 60.65 60.81 1ao8 s ILE 129 Cb -0.17 -2.64 0.03 0.00 1.25 0.00 0.00 42.46 40.93 1ao8 s ILE 129 CO 0.22 -0.23 1.16 -2.16 0.24 0.00 0.00 174.94 174.16 1ao8 s PRO 130 N -4.92 3.52 0.18 0.37 0.04 -1.26 -5.03 135.00 127.90 1ao8 s PRO 130 Ca 0.64 0.23 0.06 0.00 0.04 0.00 0.00 61.00 61.97 1ao8 s PRO 130 Cb -0.18 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.31 1ao8 s PRO 130 CO 0.57 -1.62 0.12 -0.51 0.04 0.00 0.00 177.00 175.60 1ao8 s LEU 131 N 4.77 3.71 -0.50 -3.56 1.43 -1.26 -5.07 118.68 118.20 1ao8 s LEU 131 Ca 0.42 -0.21 -0.25 0.00 -1.03 0.00 0.00 54.13 53.07 1ao8 s LEU 131 Cb -0.08 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 43.86 1ao8 s LEU 131 CO 0.26 0.05 0.94 0.21 0.23 0.00 0.00 176.35 178.04 1ao8 s ASN 132 N -3.21 6.43 0.00 2.29 2.47 -1.26 -4.88 114.94 116.78 1ao8 s ASN 132 Ca 0.31 -0.08 0.12 0.00 0.42 0.00 0.00 52.86 53.63 1ao8 s ASN 132 Cb -0.09 -2.45 0.43 0.00 -1.45 0.00 0.00 41.25 37.69 1ao8 s ASN 132 CO 0.23 -1.14 1.32 0.79 -3.72 0.00 0.00 177.10 174.59 1ao8 n TRP 133 N 7.33 0.31 0.06 0.43 7.02 -1.26 -3.84 117.44 127.49 1ao8 n TRP 133 Ca 0.04 -0.16 -0.06 0.00 -1.02 0.00 0.00 57.50 56.30 1ao8 n TRP 133 Cb 0.48 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.26 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 1.68 0.00 -0.86 -0.99 5.19 -2.03 -3.27 116.42 116.14 1ao8 h ASP 134 Ca 0.00 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 1ao8 h ASP 134 Cb 0.38 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 39.65 1ao8 h ASP 134 CO 0.00 0.96 0.74 0.47 -3.12 0.00 0.00 179.24 178.29 1ao8 n ASP 135 N -3.32 7.34 -3.68 6.45 8.00 -1.25 -4.91 116.55 125.17 1ao8 n ASP 135 Ca -0.01 -3.57 -0.11 0.00 0.71 0.00 0.00 54.79 51.81 1ao8 n ASP 135 Cb 0.93 -1.01 -0.06 0.00 -0.02 0.00 0.00 41.12 40.97 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 -3.22 -0.17 0.02 1.24 0.08 -1.24 -4.03 117.98 110.67 1ao8 s PHE 136 Ca 0.55 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.54 1ao8 s PHE 136 Cb 0.43 0.19 -0.02 0.00 -0.57 0.00 0.00 43.02 43.05 1ao8 s PHE 136 CO -0.02 -0.62 -0.03 0.99 -0.10 0.00 0.00 175.22 175.45 1ao8 s THR 137 N -3.24 0.12 -0.12 0.64 2.01 0.55 -4.93 115.64 110.66 1ao8 s THR 137 Ca -0.00 -0.79 -0.23 0.00 0.31 0.00 0.00 61.69 60.98 1ao8 s THR 137 Cb 0.01 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 1ao8 s THR 137 CO -0.08 -0.42 0.69 -0.75 -0.69 0.00 0.00 174.62 173.38 1ao8 s LYS 138 N -1.25 4.34 -0.08 4.92 2.20 -1.26 -0.90 119.74 127.71 1ao8 s LYS 138 Ca -0.13 0.81 0.07 0.00 -0.36 0.00 0.00 55.97 56.36 1ao8 s LYS 138 Cb -0.09 -3.51 -0.10 0.00 -1.51 0.00 0.00 37.83 32.63 1ao8 s LYS 138 CO -0.01 -0.09 0.02 1.33 -0.36 0.00 0.00 175.35 176.25 1ao8 n VAL 139 N 4.20 0.54 -4.20 4.02 0.24 -1.13 -4.98 118.33 117.02 1ao8 n VAL 139 Ca -0.00 -0.33 -0.16 0.00 -2.04 0.00 0.00 64.34 61.81 1ao8 n VAL 139 Cb 0.50 -0.79 -0.11 0.00 -1.47 0.00 0.00 33.84 31.97 1ao8 n VAL 139 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1ao8 s SER 140 N -4.00 1.69 -0.30 -1.34 0.15 -1.24 -5.05 113.70 103.61 1ao8 s SER 140 Ca -0.04 -0.80 -0.13 0.00 0.70 0.00 0.00 55.95 55.68 1ao8 s SER 140 Cb 0.02 -0.03 0.17 0.00 -1.71 0.00 0.00 66.02 64.48 1ao8 s SER 140 CO 0.32 -0.20 0.96 -0.55 1.20 0.00 0.00 173.24 174.97 1ao8 s SER 141 N -2.41 -0.64 -0.12 5.45 0.15 -1.26 -2.33 113.70 112.55 1ao8 s SER 141 Ca 0.06 0.68 0.02 0.00 0.70 0.00 0.00 55.95 57.42 1ao8 s SER 141 Cb -0.04 1.65 -0.00 0.00 -1.71 0.00 0.00 66.02 65.91 1ao8 s SER 141 CO 0.01 -0.12 -0.19 -0.60 1.20 0.00 0.00 173.24 173.54 1ao8 s ARG 142 N 2.63 3.17 -0.05 5.44 6.06 -0.95 -4.96 118.95 130.28 1ao8 s ARG 142 Ca 0.00 -0.80 -0.16 0.00 -2.50 0.00 0.00 55.73 52.27 1ao8 s ARG 142 Cb -0.08 -2.45 -0.05 0.00 0.06 0.00 0.00 34.95 32.43 1ao8 s ARG 142 CO -0.16 0.16 0.42 0.99 -2.50 0.00 0.00 175.30 174.21 1ao8 s THR 143 N 0.43 5.09 -0.03 4.11 2.01 -1.26 -1.11 115.64 124.88 1ao8 s THR 143 Ca -0.14 0.86 0.03 0.00 0.31 0.00 0.00 61.69 62.74 1ao8 s THR 143 Cb -0.17 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1ao8 s THR 143 CO 0.06 0.48 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 1ao8 s VAL 144 N -0.41 0.84 -0.03 3.82 1.01 -0.41 -5.00 120.40 120.22 1ao8 s VAL 144 Ca 0.24 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1ao8 s VAL 144 Cb -0.16 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1ao8 s VAL 144 CO 0.12 0.26 -0.19 -0.70 0.00 0.00 0.00 175.10 174.59 1ao8 s GLU 145 N 0.25 1.82 0.00 2.72 2.12 -1.26 -2.21 118.70 122.14 1ao8 s GLU 145 Ca -0.04 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 54.60 1ao8 s GLU 145 Cb -0.09 -1.64 0.00 0.00 0.26 0.00 0.00 34.13 32.66 1ao8 s GLU 145 CO 0.01 0.33 0.00 -3.47 -0.54 0.00 0.00 175.26 171.59 1ao8 n ASP 146 N 2.90 0.11 0.08 -1.70 -0.08 -1.25 -4.99 116.55 111.62 1ao8 n ASP 146 Ca -0.17 -0.87 0.02 0.00 -1.51 0.00 0.00 54.79 52.27 1ao8 n ASP 146 Cb 0.53 0.00 0.38 0.00 2.34 0.00 0.00 41.12 44.37 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 0.05 1.16 -2.16 5.18 1.35 -2.01 -3.43 112.91 113.05 1ao8 h THR 147 Ca 0.00 -0.66 -0.49 0.00 -0.55 0.00 0.00 66.41 64.71 1ao8 h THR 147 Cb 0.00 1.04 -0.04 0.00 -1.73 0.00 0.00 68.15 67.42 1ao8 h THR 147 CO 0.00 0.22 -0.49 0.20 -0.25 0.00 0.00 175.52 175.20 1ao8 s ASN 148 N -6.83 5.73 0.08 5.36 -0.87 -1.26 -5.03 114.94 112.12 1ao8 s ASN 148 Ca -0.06 -0.18 -0.03 0.00 -1.57 0.00 0.00 52.86 51.02 1ao8 s ASN 148 Cb 0.16 -1.49 -0.27 0.00 -0.02 0.00 0.00 41.25 39.63 1ao8 s ASN 148 CO 0.74 -0.08 1.16 1.55 -2.57 0.00 0.00 177.10 177.90 1ao8 h PRO 149 N 1.37 0.23 0.00 -0.60 0.13 -2.01 -3.25 132.00 127.87 1ao8 h PRO 149 Ca -0.49 -0.39 -0.02 0.00 -0.87 0.00 0.00 66.00 64.23 1ao8 h PRO 149 Cb 1.24 0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.51 1ao8 h PRO 149 CO 0.60 1.19 -0.08 0.00 -0.23 0.00 0.00 178.00 179.48 1ao8 h ALA 150 N 0.65 1.02 -0.82 -0.56 0.00 -1.95 -2.93 119.26 114.66 1ao8 h ALA 150 Ca -0.12 -0.07 -0.48 0.00 0.00 0.00 0.00 54.91 54.25 1ao8 h ALA 150 Cb 1.94 -0.01 -0.25 0.00 0.00 0.00 0.00 17.79 19.47 1ao8 h ALA 150 CO 0.19 0.09 0.61 1.28 0.00 0.00 0.00 179.25 181.42 1ao8 n LEU 151 N -3.20 6.53 -4.79 0.00 4.77 -1.23 -2.85 117.00 116.23 1ao8 n LEU 151 Ca 0.00 -3.50 -0.38 0.00 -0.03 0.00 0.00 56.01 52.11 1ao8 n LEU 151 Cb 0.35 -0.87 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 1ao8 n LEU 151 CO 0.29 1.12 0.11 -0.89 -1.33 0.00 0.00 177.39 176.69 1ao8 s THR 152 N -3.18 5.10 0.05 -5.08 2.01 -1.11 -3.91 115.64 109.54 1ao8 s THR 152 Ca 0.49 0.85 -0.02 0.00 0.31 0.00 0.00 61.69 63.32 1ao8 s THR 152 Cb 0.40 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1ao8 s THR 152 CO 0.05 0.48 -0.01 -1.38 -0.69 0.00 0.00 174.62 173.07 1ao8 s HIS 153 N -0.39 0.49 -0.04 4.92 -3.43 -0.94 -1.47 115.29 114.43 1ao8 s HIS 153 Ca 0.24 -1.02 -0.02 0.00 -0.80 0.00 0.00 55.06 53.46 1ao8 s HIS 153 Cb -0.16 -0.36 0.03 0.00 -1.43 0.00 0.00 32.58 30.66 1ao8 s HIS 153 CO 0.11 -0.39 0.06 0.99 -2.00 0.00 0.00 174.74 173.52 1ao8 s THR 154 N -3.85 -0.11 0.16 -5.38 2.01 0.95 -1.29 115.64 108.14 1ao8 s THR 154 Ca 0.06 0.40 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 1ao8 s THR 154 Cb 0.07 -0.15 -0.08 0.00 0.01 0.00 0.00 72.50 72.35 1ao8 s THR 154 CO -0.10 0.17 1.22 -0.31 -0.69 0.00 0.00 174.62 174.91 1ao8 s TYR 155 N 2.06 3.39 -0.21 4.92 2.02 -0.27 -1.94 117.35 127.32 1ao8 s TYR 155 Ca 0.03 1.35 -0.00 0.00 -0.37 0.00 0.00 57.07 58.08 1ao8 s TYR 155 Cb -0.12 -3.47 0.06 0.00 -0.40 0.00 0.00 41.96 38.03 1ao8 s TYR 155 CO -0.03 -1.38 -0.04 -1.21 -1.57 0.00 0.00 175.55 171.32 1ao8 s GLU 156 N 0.05 1.40 -0.69 -0.62 8.01 -0.74 -2.25 118.70 123.85 1ao8 s GLU 156 Ca 0.55 -0.77 -0.17 0.00 0.01 0.00 0.00 54.97 54.59 1ao8 s GLU 156 Cb -0.33 -2.37 0.14 0.00 -4.31 0.00 0.00 34.13 27.26 1ao8 s GLU 156 CO 0.35 -0.57 0.75 0.08 0.01 0.00 0.00 175.26 175.89 1ao8 s VAL 157 N 1.54 5.04 0.19 2.63 1.01 -0.98 -2.53 120.40 127.30 1ao8 s VAL 157 Ca -0.03 -1.48 -0.19 0.00 0.00 0.00 0.00 61.98 60.27 1ao8 s VAL 157 Cb -0.18 -4.51 -0.08 0.00 0.00 0.00 0.00 36.38 31.62 1ao8 s VAL 157 CO -0.07 -1.12 0.68 0.26 0.00 0.00 0.00 175.10 174.84 1ao8 s TRP 158 N 1.97 3.67 0.11 5.22 0.52 -0.68 -2.84 118.94 126.91 1ao8 s TRP 158 Ca 0.15 1.33 0.04 0.00 0.02 0.00 0.00 56.10 57.63 1ao8 s TRP 158 Cb -0.19 -2.57 -0.04 0.00 -1.15 0.00 0.00 33.47 29.53 1ao8 s TRP 158 CO 0.00 0.39 -0.10 -0.65 0.02 0.00 0.00 176.95 176.61 1ao8 s GLN 159 N -1.83 0.90 0.25 4.98 -0.21 -0.08 -1.63 119.66 122.03 1ao8 s GLN 159 Ca 0.40 -1.22 -0.13 0.00 0.02 0.00 0.00 55.36 54.44 1ao8 s GLN 159 Cb -0.17 -0.59 -0.08 0.00 1.00 0.00 0.00 33.01 33.18 1ao8 s GLN 159 CO 0.21 0.09 0.62 0.21 -2.12 0.00 0.00 175.29 174.30 1ao8 s LYS 160 N -2.94 3.92 0.84 2.91 2.20 -1.17 -0.33 119.74 125.18 1ao8 s LYS 160 Ca 0.08 0.48 -0.12 0.00 -0.36 0.00 0.00 55.97 56.04 1ao8 s LYS 160 Cb -0.02 -2.63 0.12 0.00 -1.51 0.00 0.00 37.83 33.79 1ao8 s LYS 160 CO 0.00 0.29 1.20 0.15 -0.36 0.00 0.00 175.35 176.64 1ao8 s LYS 161 N -2.70 1.56 0.00 4.03 1.02 -1.26 -4.89 119.74 117.51 1ao8 s LYS 161 Ca 0.48 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.34 1ao8 s LYS 161 Cb -0.12 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 1ao8 s LYS 161 CO 0.20 -1.81 0.00 0.00 -0.92 0.00 0.00 175.35 172.81