#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxs s THR 24 N 0.00 4.00 -0.21 2.61 -4.23 -1.26 -5.05 115.64 111.50 3hxs s THR 24 Ca 0.00 0.87 -0.01 0.00 -1.18 0.00 0.00 61.69 61.37 3hxs s THR 24 Cb 0.00 -3.45 0.01 0.00 1.34 0.00 0.00 72.50 70.40 3hxs s THR 24 CO 0.00 -0.64 -0.12 -0.63 -0.54 0.00 0.00 174.62 172.69 3hxs s ILE 25 N -2.64 2.65 0.35 2.99 1.01 -1.26 -5.10 121.20 119.19 3hxs s ILE 25 Ca 0.61 -0.81 -0.25 0.00 0.00 0.00 0.00 60.65 60.20 3hxs s ILE 25 Cb -0.14 -2.20 -0.10 0.00 0.01 0.00 0.00 42.46 40.03 3hxs s ILE 25 CO 0.41 0.43 0.97 -1.00 0.00 0.00 0.00 174.94 175.75 3hxs s HIS 26 N 1.36 3.57 -0.08 3.97 3.76 -1.26 -5.04 115.29 121.57 3hxs s HIS 26 Ca 0.04 1.74 -0.00 0.00 -0.15 0.00 0.00 55.06 56.69 3hxs s HIS 26 Cb -0.14 -2.96 0.02 0.00 1.11 0.00 0.00 32.58 30.61 3hxs s HIS 26 CO -0.08 0.00 -0.04 -1.17 -0.85 0.00 0.00 174.74 172.60 3hxs s LEU 27 N -2.26 1.00 0.71 0.89 2.96 -1.26 -5.08 118.68 115.63 3hxs s LEU 27 Ca 0.53 -0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 54.17 3hxs s LEU 27 Cb -0.19 -0.61 0.05 0.00 0.50 0.00 0.00 46.19 45.94 3hxs s LEU 27 CO 0.24 -0.13 1.03 0.42 -1.32 0.00 0.00 176.35 176.59 3hxs s THR 28 N 1.61 2.54 0.18 3.68 -4.23 -1.26 -4.89 115.64 113.27 3hxs s THR 28 Ca 0.01 -0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 60.31 3hxs s THR 28 Cb -0.13 -3.11 0.08 0.00 1.34 0.00 0.00 72.50 70.68 3hxs s THR 28 CO -0.05 -0.13 1.68 -0.09 -0.54 0.00 0.00 174.62 175.50 3hxs h ARG 29 N -0.62 1.03 -0.68 3.99 2.43 -2.00 0.96 114.38 119.48 3hxs h ARG 29 Ca -0.45 -0.27 0.11 0.00 -0.81 0.00 0.00 59.98 58.56 3hxs h ARG 29 Cb 1.30 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.65 3hxs h ARG 29 CO 0.62 0.95 0.29 0.00 -1.51 0.00 0.00 179.97 180.31 3hxs h ALA 30 N 1.04 0.93 -0.17 2.80 0.00 -2.01 -1.22 119.26 120.63 3hxs h ALA 30 Ca 0.19 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 3hxs h ALA 30 Cb 0.41 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3hxs h ALA 30 CO 0.01 -0.15 -0.53 0.93 0.00 0.00 0.00 179.25 179.51 3hxs h GLU 31 N 0.48 0.49 -0.89 0.00 5.08 -1.83 -3.06 114.58 114.85 3hxs h GLU 31 Ca 0.35 -0.30 0.12 0.00 -1.00 0.00 0.00 59.36 58.53 3hxs h GLU 31 Cb 0.45 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.65 3hxs h GLU 31 CO -0.33 0.89 0.52 0.35 -1.00 0.00 0.00 179.01 179.45 3hxs h PHE 32 N 0.38 0.93 0.00 4.33 3.57 0.30 -0.16 116.94 126.29 3hxs h PHE 32 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3hxs h PHE 32 Cb 1.05 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 3hxs h PHE 32 CO 0.04 0.34 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.33 3hxs h LEU 33 N 0.82 0.00 0.01 0.59 3.38 -1.18 0.05 115.31 118.98 3hxs h LEU 33 Ca 0.45 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 58.05 3hxs h LEU 33 Cb 0.48 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 3hxs h LEU 33 CO -0.28 0.06 -2.33 0.29 0.09 0.00 0.00 178.44 176.27 3hxs n LYS 34 N -3.49 0.67 -0.04 1.13 5.02 -0.56 -3.46 118.16 117.43 3hxs n LYS 34 Ca -0.02 0.11 0.04 0.00 -2.02 0.00 0.00 58.31 56.42 3hxs n LYS 34 Cb 0.18 -1.56 -0.16 0.00 -0.02 0.00 0.00 35.03 33.47 3hxs n LYS 34 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hxs n LYS 35 N -3.05 0.71 -0.00 1.97 5.02 -0.18 -4.81 118.16 117.81 3hxs n LYS 35 Ca -0.37 -0.13 -0.01 0.00 -2.02 0.00 0.00 58.31 55.79 3hxs n LYS 35 Cb 1.07 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 34.59 3hxs n LYS 35 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3hxs n ILE 36 N -2.38 0.20 -3.64 -0.18 2.08 -0.07 -5.06 119.36 110.32 3hxs n ILE 36 Ca -0.13 0.20 -0.10 0.00 0.56 0.00 0.00 62.75 63.28 3hxs n ILE 36 Cb 0.73 -1.29 -0.07 0.00 -0.75 0.00 0.00 39.64 38.26 3hxs n ILE 36 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hxs s ALA 37 N -2.36 -1.91 -1.10 -1.39 0.00 -0.75 -5.03 121.76 109.22 3hxs s ALA 37 Ca -0.02 2.07 -0.16 0.00 0.00 0.00 0.00 51.96 53.85 3hxs s ALA 37 Cb 0.00 -1.36 0.14 0.00 0.00 0.00 0.00 23.12 21.90 3hxs s ALA 37 CO 0.02 -0.32 1.34 0.34 0.00 0.00 0.00 175.76 177.15 3hxs s ASP 38 N 0.66 6.85 0.07 0.00 2.15 -1.22 -4.08 116.67 121.10 3hxs s ASP 38 Ca -0.02 -2.51 0.23 0.00 0.43 0.00 0.00 52.55 50.68 3hxs s ASP 38 Cb -0.05 -2.42 0.02 0.00 -0.30 0.00 0.00 42.92 40.17 3hxs s ASP 38 CO -0.07 -0.94 1.00 0.00 -0.17 0.00 0.00 175.17 174.99 3hxs n TYR 39 N 6.38 0.35 -1.88 -5.34 0.18 -1.26 -4.95 117.16 110.63 3hxs n TYR 39 Ca 0.33 0.10 -0.41 0.00 1.88 0.00 0.00 57.90 59.80 3hxs n TYR 39 Cb 0.46 -0.52 -0.01 0.00 -0.38 0.00 0.00 39.34 38.89 3hxs n TYR 39 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3hxs s GLU 40 N -3.24 4.18 -1.30 -3.48 0.41 -1.26 -4.87 118.70 109.13 3hxs s GLU 40 Ca 0.02 2.47 -0.13 0.00 -0.41 0.00 0.00 54.97 56.92 3hxs s GLU 40 Cb 0.14 -3.01 0.13 0.00 -1.78 0.00 0.00 34.13 29.60 3hxs s GLU 40 CO 0.81 -0.47 1.79 -1.71 -0.49 0.00 0.00 175.26 175.19 3hxs n ASN 41 N 1.01 4.86 -4.77 -0.19 5.15 -1.26 -4.99 115.26 115.08 3hxs n ASN 41 Ca 0.03 -2.98 -0.40 0.00 -0.60 0.00 0.00 54.58 50.62 3hxs n ASN 41 Cb 0.40 -1.59 -0.00 0.00 -0.53 0.00 0.00 39.78 38.05 3hxs n ASN 41 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3hxs s HIS 42 N 2.01 2.76 0.21 1.20 3.76 -1.26 -4.89 115.29 119.09 3hxs s HIS 42 Ca 0.45 1.36 -0.32 0.00 -0.15 0.00 0.00 55.06 56.39 3hxs s HIS 42 Cb 0.06 -3.76 -0.13 0.00 1.11 0.00 0.00 32.58 29.86 3hxs s HIS 42 CO 0.00 -2.32 1.50 0.43 -0.85 0.00 0.00 174.74 173.51 3hxs n SER 43 N 0.20 3.05 -4.74 1.40 7.64 -1.26 -4.90 113.62 115.00 3hxs n SER 43 Ca 0.03 1.12 -0.41 0.00 1.01 0.00 0.00 58.87 60.62 3hxs n SER 43 Cb 0.42 -1.45 -0.04 0.00 -1.01 0.00 0.00 64.21 62.14 3hxs n SER 43 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3hxs s LYS 44 N 0.14 4.57 0.33 1.43 2.20 -1.26 -5.02 119.74 122.12 3hxs s LYS 44 Ca 0.72 1.77 -0.25 0.00 -0.36 0.00 0.00 55.97 57.85 3hxs s LYS 44 Cb -0.64 -3.26 -0.10 0.00 -1.51 0.00 0.00 37.83 32.33 3hxs s LYS 44 CO 0.44 0.04 0.93 -2.00 -0.36 0.00 0.00 175.35 174.40 3hxs s GLU 45 N -0.45 4.52 0.18 4.03 2.12 -1.26 -4.98 118.70 122.86 3hxs s GLU 45 Ca 0.50 1.27 -0.33 0.00 0.36 0.00 0.00 54.97 56.77 3hxs s GLU 45 Cb -0.31 -2.74 -0.14 0.00 0.26 0.00 0.00 34.13 31.20 3hxs s GLU 45 CO 0.36 0.26 1.51 1.87 -0.54 0.00 0.00 175.26 178.71 3hxs n TRP 46 N 0.45 2.20 -3.43 5.30 -0.00 -1.26 -4.97 117.44 115.73 3hxs n TRP 46 Ca 0.02 0.35 -0.16 0.00 -0.00 0.00 0.00 57.50 57.71 3hxs n TRP 46 Cb 0.51 -2.50 -0.11 0.00 -0.00 0.00 0.00 31.31 29.21 3hxs n TRP 46 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 3hxs s LYS 47 N 0.42 0.28 0.21 5.87 2.20 -1.26 -5.02 119.74 122.44 3hxs s LYS 47 Ca 0.75 0.11 -0.30 0.00 -0.36 0.00 0.00 55.97 56.18 3hxs s LYS 47 Cb -0.68 -0.84 -0.09 0.00 -1.51 0.00 0.00 37.83 34.71 3hxs s LYS 47 CO 0.42 -0.82 1.21 -0.47 -0.36 0.00 0.00 175.35 175.34 3hxs s TYR 48 N 2.38 3.39 -1.98 4.03 5.04 -1.26 -4.96 117.35 124.00 3hxs s TYR 48 Ca 0.09 1.43 0.16 0.00 -2.44 0.00 0.00 57.07 56.31 3hxs s TYR 48 Cb -0.15 -3.46 0.12 0.00 0.35 0.00 0.00 41.96 38.82 3hxs s TYR 48 CO -0.22 -1.27 1.00 1.28 -1.34 0.00 0.00 175.55 175.00 3hxs n LEU 49 N 2.21 2.29 -4.89 6.97 4.77 -1.26 -5.02 117.00 122.07 3hxs n LEU 49 Ca 0.03 -0.98 -0.30 0.00 -0.03 0.00 0.00 56.01 54.74 3hxs n LEU 49 Cb 0.44 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.57 3hxs n LEU 49 CO 0.56 0.41 0.71 -0.83 -1.33 0.00 0.00 177.39 176.91 3hxs s GLY 50 N -1.39 1.62 0.00 -0.72 0.00 -1.26 -4.99 107.32 100.58 3hxs s GLY 50 Ca 0.18 -0.39 0.23 0.00 0.00 0.00 0.00 44.72 44.74 3hxs s GLY 50 CO 0.22 -0.04 1.14 2.09 0.00 0.00 0.00 173.10 176.51 3hxs n ASP 51 N -2.92 1.22 -4.08 1.64 5.68 -1.26 -4.88 116.55 111.96 3hxs n ASP 51 Ca 0.06 -1.01 -0.13 0.00 -0.50 0.00 0.00 54.79 53.21 3hxs n ASP 51 Cb 0.57 0.59 -0.11 0.00 -1.14 0.00 0.00 41.12 41.03 3hxs n ASP 51 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3hxs s LYS 52 N -2.78 0.57 1.02 0.11 1.02 -1.26 -5.12 119.74 113.30 3hxs s LYS 52 Ca 0.14 -0.82 -0.11 0.00 0.02 0.00 0.00 55.97 55.20 3hxs s LYS 52 Cb 0.17 -0.31 0.20 0.00 -0.52 0.00 0.00 37.83 37.38 3hxs s LYS 52 CO 0.70 0.05 1.09 -0.35 -0.92 0.00 0.00 175.35 175.92 3hxs n PRO 53 N 1.33 -1.23 -3.80 -1.68 -0.04 -1.26 -4.64 135.00 123.67 3hxs n PRO 53 Ca -0.22 -0.31 -0.10 0.00 -0.04 0.00 0.00 63.50 62.84 3hxs n PRO 53 Cb 0.55 -2.29 -0.07 0.00 -0.04 0.00 0.00 33.50 31.65 3hxs n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hxs s ALA 54 N -2.55 -0.42 -0.08 0.55 0.00 -0.03 -1.70 121.76 117.54 3hxs s ALA 54 Ca 0.68 -0.40 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 3hxs s ALA 54 Cb -0.24 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 3hxs s ALA 54 CO 0.61 -0.50 0.07 0.42 0.00 0.00 0.00 175.76 176.36 3hxs s ILE 55 N -3.53 4.87 -0.18 0.00 1.01 -0.18 -0.36 121.20 122.82 3hxs s ILE 55 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3hxs s ILE 55 Cb 0.03 -3.12 0.04 0.00 0.01 0.00 0.00 42.46 39.42 3hxs s ILE 55 CO -0.09 0.56 -0.09 -0.69 0.00 0.00 0.00 174.94 174.62 3hxs s VAL 56 N -1.01 1.46 -0.37 2.92 1.01 -0.20 -0.20 120.40 124.02 3hxs s VAL 56 Ca 0.16 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 3hxs s VAL 56 Cb -0.12 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.75 3hxs s VAL 56 CO 0.05 0.20 0.18 -0.62 0.00 0.00 0.00 175.10 174.92 3hxs s ASP 57 N 1.49 5.62 -0.38 3.32 2.15 -0.07 -0.47 116.67 128.33 3hxs s ASP 57 Ca 0.00 -1.05 -0.21 0.00 0.43 0.00 0.00 52.55 51.72 3hxs s ASP 57 Cb -0.15 -1.98 0.01 0.00 -0.30 0.00 0.00 42.92 40.49 3hxs s ASP 57 CO -0.08 -0.38 0.66 -0.36 -0.17 0.00 0.00 175.17 174.84 3hxs s PHE 58 N 1.51 3.12 0.30 -5.34 0.08 0.49 -0.27 117.98 117.87 3hxs s PHE 58 Ca 0.01 0.27 0.03 0.00 0.12 0.00 0.00 56.93 57.35 3hxs s PHE 58 Cb -0.19 -3.25 -0.05 0.00 -0.57 0.00 0.00 43.02 38.96 3hxs s PHE 58 CO 0.06 -0.72 0.09 1.52 -0.10 0.00 0.00 175.22 176.07 3hxs s TYR 59 N 2.81 1.73 0.06 0.36 -0.85 -0.49 -1.38 117.35 119.59 3hxs s TYR 59 Ca 0.25 -1.13 0.02 0.00 -0.52 0.00 0.00 57.07 55.69 3hxs s TYR 59 Cb -0.14 -1.07 -0.03 0.00 0.38 0.00 0.00 41.96 41.10 3hxs s TYR 59 CO 0.16 -0.22 -0.07 0.00 -1.52 0.00 0.00 175.55 173.91 3hxs s ALA 60 N -3.51 0.69 0.57 9.51 0.00 -1.26 -1.90 121.76 125.85 3hxs s ALA 60 Ca 0.36 -0.99 0.26 0.00 0.00 0.00 0.00 51.96 51.58 3hxs s ALA 60 Cb 0.07 0.11 1.62 0.00 0.00 0.00 0.00 23.12 24.92 3hxs s ALA 60 CO 0.15 -0.13 2.18 -0.44 0.00 0.00 0.00 175.76 177.52 3hxs h ASP 61 N 3.87 0.00 -0.43 0.00 3.32 -2.00 -2.37 116.42 118.81 3hxs h ASP 61 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3hxs h ASP 61 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3hxs h ASP 61 CO 0.51 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.36 3hxs n TRP 62 N -4.04 0.57 -2.92 4.55 4.27 -1.26 -4.87 117.44 113.73 3hxs n TRP 62 Ca -0.01 -0.28 -0.41 0.00 -3.89 0.00 0.00 57.50 52.90 3hxs n TRP 62 Cb 0.17 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.08 3hxs n TRP 62 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3hxs h GLY 64 N 8.25 -0.42 -0.28 0.00 0.00 -1.89 -3.27 103.07 105.46 3hxs h GLY 64 Ca -0.30 0.16 0.26 0.00 0.00 0.00 0.00 47.33 47.45 3hxs h GLY 64 CO 0.83 -0.15 0.53 -0.56 0.00 0.00 0.00 176.54 177.18 3hxs h PRO 65 N -0.44 0.44 -0.78 4.80 0.13 -1.93 -1.42 132.00 132.80 3hxs h PRO 65 Ca -0.04 -0.03 0.16 0.00 -0.87 0.00 0.00 66.00 65.23 3hxs h PRO 65 Cb 0.31 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 31.29 3hxs h PRO 65 CO 0.07 0.29 0.53 0.00 -0.23 0.00 0.00 178.00 178.66 3hxs h LYS 67 N 0.38 0.21 -0.01 0.00 1.57 -1.34 0.40 116.57 117.79 3hxs h LYS 67 Ca 0.39 -0.10 -0.24 0.00 -1.87 0.00 0.00 60.65 58.83 3hxs h LYS 67 Cb 0.95 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.28 3hxs h LYS 67 CO -0.12 0.62 -0.93 0.52 -0.57 0.00 0.00 179.45 178.96 3hxs h MET 68 N 0.17 0.64 -0.36 3.15 2.86 -1.14 -3.29 114.93 116.96 3hxs h MET 68 Ca 0.01 -0.68 -0.07 0.00 -2.06 0.00 0.00 59.70 56.90 3hxs h MET 68 Cb 0.86 0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 3hxs h MET 68 CO 0.07 1.27 -0.08 0.28 1.06 0.00 0.00 176.91 179.51 3hxs h VAL 69 N 0.28 1.23 -0.46 -2.22 2.07 -0.74 -3.33 116.25 113.09 3hxs h VAL 69 Ca -0.11 -1.00 0.08 0.00 0.82 0.00 0.00 66.70 66.48 3hxs h VAL 69 Cb 1.60 1.05 -0.10 0.00 -1.52 0.00 0.00 31.29 32.32 3hxs h VAL 69 CO 0.18 0.34 -0.41 0.00 0.02 0.00 0.00 177.57 177.70 3hxs h ALA 70 N 1.36 -0.35 0.00 1.67 0.00 -0.27 0.45 119.26 122.12 3hxs h ALA 70 Ca 0.11 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3hxs h ALA 70 Cb 0.47 0.88 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3hxs h ALA 70 CO 0.03 -0.83 -0.26 -1.00 0.00 0.00 0.00 179.25 177.19 3hxs h PRO 71 N -0.28 0.00 -0.83 0.00 0.13 -1.76 -2.13 132.00 127.14 3hxs h PRO 71 Ca 0.16 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.25 3hxs h PRO 71 Cb 0.57 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.66 3hxs h PRO 71 CO -0.61 0.26 0.36 0.82 -0.23 0.00 0.00 178.00 178.61 3hxs h ILE 72 N 0.00 1.26 -0.37 -3.56 1.08 -1.09 -2.03 117.51 112.81 3hxs h ILE 72 Ca -0.00 -0.79 -0.12 0.00 -0.39 0.00 0.00 64.86 63.56 3hxs h ILE 72 Cb 0.51 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 3hxs h ILE 72 CO 0.03 0.33 -0.25 -0.07 -0.69 0.00 0.00 178.15 177.50 3hxs h LEU 73 N 1.20 0.76 -0.43 1.44 3.38 -0.62 -1.31 115.31 119.74 3hxs h LEU 73 Ca 0.28 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hxs h LEU 73 Cb 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3hxs h LEU 73 CO -0.03 0.98 0.25 -0.33 0.09 0.00 0.00 178.44 179.40 3hxs h GLU 74 N 0.64 0.58 -0.05 1.13 4.39 -1.13 0.04 114.58 120.18 3hxs h GLU 74 Ca 0.08 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 3hxs h GLU 74 Cb 0.76 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 3hxs h GLU 74 CO 0.06 0.44 -0.66 1.05 -1.16 0.00 0.00 179.01 178.74 3hxs h GLU 75 N 0.56 0.20 -0.31 2.33 4.11 -1.29 -2.73 114.58 117.45 3hxs h GLU 75 Ca 0.15 -0.15 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 3hxs h GLU 75 Cb 0.01 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3hxs h GLU 75 CO -0.03 0.79 -0.14 -0.07 0.07 0.00 0.00 179.01 179.63 3hxs h LEU 76 N 0.14 0.52 -1.68 3.06 3.38 -1.00 -0.49 115.31 119.25 3hxs h LEU 76 Ca -0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3hxs h LEU 76 Cb 1.18 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3hxs h LEU 76 CO 0.10 0.69 -0.12 0.77 0.09 0.00 0.00 178.44 179.97 3hxs h SER 77 N 0.49 0.00 0.00 -0.43 4.64 -0.69 -0.82 113.55 116.75 3hxs h SER 77 Ca 0.09 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 3hxs h SER 77 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3hxs h SER 77 CO 0.03 0.12 -0.46 0.11 -0.87 0.00 0.00 176.83 175.76 3hxs h LYS 78 N 0.00 0.00 -0.96 4.77 1.79 -1.22 -2.94 116.57 118.02 3hxs h LYS 78 Ca -0.00 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.64 3hxs h LYS 78 Cb 0.46 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.01 3hxs h LYS 78 CO 0.02 0.78 0.56 1.49 -1.08 0.00 0.00 179.45 181.22 3hxs h GLU 79 N -1.00 0.73 -0.56 3.15 4.81 -0.95 -0.71 114.58 120.05 3hxs h GLU 79 Ca -0.12 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 58.96 3hxs h GLU 79 Cb 0.93 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.08 3hxs h GLU 79 CO -0.07 0.48 0.11 0.66 -0.73 0.00 0.00 179.01 179.47 3hxs n TYR 80 N -4.78 1.93 -1.69 0.92 4.01 -0.33 -5.01 117.16 112.21 3hxs n TYR 80 Ca 0.21 -1.03 -0.44 0.00 -0.16 0.00 0.00 57.90 56.48 3hxs n TYR 80 Cb 0.50 -0.55 -0.02 0.00 -0.31 0.00 0.00 39.34 38.96 3hxs n TYR 80 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hxs n ALA 81 N -0.10 1.54 0.00 -0.72 0.00 -0.28 -0.92 120.51 120.04 3hxs n ALA 81 Ca 0.33 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.16 3hxs n ALA 81 Cb 1.21 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3hxs n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxs n GLY 82 N 2.07 2.49 0.09 0.00 0.00 -1.26 -4.79 105.19 103.79 3hxs n GLY 82 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 3hxs n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hxs n LYS 83 N -2.00 1.05 -4.09 1.61 5.02 -0.10 -5.06 118.16 114.59 3hxs n LYS 83 Ca 0.00 0.04 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 3hxs n LYS 83 Cb 0.00 -1.41 -0.09 0.00 -0.02 0.00 0.00 35.03 33.51 3hxs n LYS 83 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3hxs s ILE 84 N -2.40 0.06 0.06 -0.18 -4.36 -0.98 -4.29 121.20 109.10 3hxs s ILE 84 Ca -0.16 -1.73 0.04 0.00 -0.26 0.00 0.00 60.65 58.54 3hxs s ILE 84 Cb 0.06 -2.11 -0.04 0.00 1.25 0.00 0.00 42.46 41.62 3hxs s ILE 84 CO 0.59 -0.26 -0.01 -0.31 0.24 0.00 0.00 174.94 175.19 3hxs s TYR 85 N -4.05 2.99 -0.26 1.37 2.02 -0.69 -4.75 117.35 113.98 3hxs s TYR 85 Ca 0.26 -0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.97 3hxs s TYR 85 Cb 0.05 -1.58 0.06 0.00 -0.40 0.00 0.00 41.96 40.10 3hxs s TYR 85 CO 0.04 0.46 -0.09 0.42 -1.57 0.00 0.00 175.55 174.82 3hxs s ILE 86 N -1.21 2.00 0.11 2.71 1.01 -1.26 -1.01 121.20 123.55 3hxs s ILE 86 Ca 0.23 -1.56 0.01 0.00 0.00 0.00 0.00 60.65 59.33 3hxs s ILE 86 Cb -0.12 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 3hxs s ILE 86 CO 0.15 -0.07 0.25 -0.31 0.00 0.00 0.00 174.94 174.95 3hxs s TYR 87 N 1.17 3.50 -0.03 3.97 2.02 0.73 -4.96 117.35 123.75 3hxs s TYR 87 Ca -0.07 0.17 0.04 0.00 -0.37 0.00 0.00 57.07 56.84 3hxs s TYR 87 Cb -0.20 -1.71 -0.00 0.00 -0.40 0.00 0.00 41.96 39.66 3hxs s TYR 87 CO -0.06 0.55 -0.13 0.15 -1.57 0.00 0.00 175.55 174.49 3hxs s LYS 88 N -2.91 1.33 -0.16 -0.62 1.02 -1.26 -0.89 119.74 116.24 3hxs s LYS 88 Ca 0.35 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 55.89 3hxs s LYS 88 Cb -0.12 -1.20 0.02 0.00 -0.52 0.00 0.00 37.83 36.01 3hxs s LYS 88 CO 0.28 0.20 -0.21 0.08 -0.92 0.00 0.00 175.35 174.78 3hxs s VAL 89 N 0.05 2.04 -0.56 3.17 1.01 0.63 -4.92 120.40 121.81 3hxs s VAL 89 Ca -0.02 -0.95 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 3hxs s VAL 89 Cb -0.09 -1.82 0.05 0.00 0.00 0.00 0.00 36.38 34.51 3hxs s VAL 89 CO 0.01 0.54 0.90 0.21 0.00 0.00 0.00 175.10 176.76 3hxs s ASN 90 N 1.05 6.29 0.54 3.32 3.84 -1.26 -1.39 114.94 127.33 3hxs s ASN 90 Ca -0.01 -0.54 0.21 0.00 0.21 0.00 0.00 52.86 52.73 3hxs s ASN 90 Cb -0.14 -2.41 1.41 0.00 -0.55 0.00 0.00 41.25 39.55 3hxs s ASN 90 CO -0.07 -1.21 2.12 -0.37 -2.79 0.00 0.00 177.10 174.78 3hxs h VAL 91 N 5.99 0.82 -0.39 -5.21 -1.51 -1.68 0.46 116.25 114.74 3hxs h VAL 91 Ca -0.27 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.07 3hxs h VAL 91 Cb 1.08 0.92 -0.01 0.00 -2.13 0.00 0.00 31.29 31.15 3hxs h VAL 91 CO 1.08 0.00 -0.27 -0.78 -1.23 0.00 0.00 177.57 176.37 3hxs h ASP 92 N 0.00 0.84 1.09 4.19 3.58 -1.91 -2.60 116.42 121.61 3hxs h ASP 92 Ca 0.07 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.19 3hxs h ASP 92 Cb 0.28 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3hxs h ASP 92 CO -0.00 1.06 -0.51 0.11 -2.88 0.00 0.00 179.24 177.02 3hxs h LYS 93 N 0.70 0.00 -2.14 0.28 1.57 -1.38 -3.38 116.57 112.22 3hxs h LYS 93 Ca 0.08 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.32 3hxs h LYS 93 Cb 0.81 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.71 3hxs h LYS 93 CO 0.07 0.00 -0.91 0.39 -0.57 0.00 0.00 179.45 178.43 3hxs n GLU 94 N -2.31 2.08 -0.03 3.15 -0.58 -0.30 -4.93 120.64 117.72 3hxs n GLU 94 Ca 0.03 -4.12 -0.04 0.00 -0.42 0.00 0.00 57.16 52.61 3hxs n GLU 94 Cb 0.46 -1.95 0.17 0.00 -0.57 0.00 0.00 31.44 29.55 3hxs n GLU 94 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3hxs h PRO 95 N 3.10 0.59 -0.16 3.49 0.13 -1.65 -1.44 132.00 136.07 3hxs h PRO 95 Ca 0.12 -0.21 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 3hxs h PRO 95 Cb 0.74 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 3hxs h PRO 95 CO 0.66 0.76 0.10 1.49 -0.23 0.00 0.00 178.00 180.78 3hxs h GLU 96 N 0.53 0.22 -0.21 0.86 4.81 -1.92 0.89 114.58 119.76 3hxs h GLU 96 Ca 0.08 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3hxs h GLU 96 Cb 0.64 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3hxs h GLU 96 CO 0.05 0.18 0.12 1.25 -0.73 0.00 0.00 179.01 179.87 3hxs h LEU 97 N 0.19 0.19 -0.31 1.64 5.85 -1.90 -0.64 115.31 120.33 3hxs h LEU 97 Ca 0.06 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3hxs h LEU 97 Cb 0.02 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3hxs h LEU 97 CO -0.01 0.14 0.16 0.00 -0.34 0.00 0.00 178.44 178.39 3hxs h ALA 98 N 1.10 0.39 -0.50 1.25 0.00 -1.04 -2.35 119.26 118.11 3hxs h ALA 98 Ca 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hxs h ALA 98 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3hxs h ALA 98 CO -0.04 -0.07 0.33 -0.09 0.00 0.00 0.00 179.25 179.37 3hxs h ARG 99 N 0.37 0.65 0.00 0.00 2.43 -0.68 -2.22 114.38 114.94 3hxs h ARG 99 Ca 0.11 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3hxs h ARG 99 Cb 0.07 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3hxs h ARG 99 CO -0.02 0.43 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.31 3hxs h ASP 100 N 0.67 0.00 -0.56 -3.80 3.32 -0.78 -1.25 116.42 114.03 3hxs h ASP 100 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3hxs h ASP 100 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3hxs h ASP 100 CO -0.04 0.12 0.00 0.49 -1.72 0.00 0.00 179.24 178.09 3hxs n PHE 101 N -4.02 1.43 -2.91 4.55 3.72 -0.92 -4.96 117.46 114.34 3hxs n PHE 101 Ca -0.02 -0.66 -0.22 0.00 -0.05 0.00 0.00 57.45 56.50 3hxs n PHE 101 Cb 0.21 -0.28 0.02 0.00 -0.94 0.00 0.00 39.48 38.48 3hxs n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hxs n GLY 102 N 0.76 -0.51 3.72 1.37 0.00 -0.47 -4.91 105.19 105.14 3hxs n GLY 102 Ca 0.24 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 3hxs n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hxs s ILE 103 N -3.08 2.23 0.17 -0.61 -1.09 -0.92 -4.88 121.20 113.01 3hxs s ILE 103 Ca 0.24 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.82 3hxs s ILE 103 Cb -0.11 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.66 3hxs s ILE 103 CO 0.30 0.01 0.00 0.00 -1.23 0.00 0.00 174.94 174.02 3hxs n GLN 104 N 3.81 0.00 -2.03 2.79 6.02 -1.26 -4.91 117.38 121.80 3hxs n GLN 104 Ca 0.14 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.73 3hxs n GLN 104 Cb 0.36 -0.24 -0.01 0.00 1.02 0.00 0.00 30.24 31.37 3hxs n GLN 104 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3hxs s SER 105 N -5.44 6.57 -0.14 1.08 0.01 -1.26 -5.04 113.70 109.48 3hxs s SER 105 Ca 0.00 2.76 0.01 0.00 1.31 0.00 0.00 55.95 60.03 3hxs s SER 105 Cb 0.00 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.60 3hxs s SER 105 CO 0.00 -0.68 -0.15 -0.63 0.41 0.00 0.00 173.24 172.18 3hxs s ILE 106 N -1.16 1.62 0.60 1.44 -1.09 -1.26 -3.17 121.20 118.18 3hxs s ILE 106 Ca 0.52 -0.68 -0.13 0.00 -2.23 0.00 0.00 60.65 58.14 3hxs s ILE 106 Cb -0.41 -1.50 -0.04 0.00 -1.58 0.00 0.00 42.46 38.92 3hxs s ILE 106 CO 0.54 0.47 1.02 -2.16 -1.23 0.00 0.00 174.94 173.58 3hxs s PRO 107 N 1.35 3.61 -0.13 2.79 0.04 -1.26 -4.79 135.00 136.61 3hxs s PRO 107 Ca 0.02 0.84 0.02 0.00 0.04 0.00 0.00 61.00 61.92 3hxs s PRO 107 Cb -0.13 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.32 3hxs s PRO 107 CO -0.09 -0.56 -0.18 0.99 0.04 0.00 0.00 177.00 177.20 3hxs s THR 108 N -3.00 2.53 -0.14 1.26 2.01 -0.48 -0.92 115.64 116.89 3hxs s THR 108 Ca 0.57 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.74 3hxs s THR 108 Cb -0.11 -2.03 0.00 0.00 0.01 0.00 0.00 72.50 70.37 3hxs s THR 108 CO 0.48 0.54 -0.18 -0.63 -0.69 0.00 0.00 174.62 174.13 3hxs s ILE 109 N 0.49 2.40 -0.14 1.82 1.01 0.15 -0.38 121.20 126.56 3hxs s ILE 109 Ca -0.12 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.59 3hxs s ILE 109 Cb -0.16 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3hxs s ILE 109 CO 0.05 0.53 0.11 0.26 0.00 0.00 0.00 174.94 175.90 3hxs s TRP 110 N 0.75 3.47 -0.33 3.97 0.52 0.38 -0.65 118.94 127.06 3hxs s TRP 110 Ca -0.07 0.40 -0.04 0.00 0.02 0.00 0.00 56.10 56.41 3hxs s TRP 110 Cb -0.16 -1.98 0.05 0.00 -1.15 0.00 0.00 33.47 30.23 3hxs s TRP 110 CO 0.00 0.55 0.08 -0.06 0.02 0.00 0.00 176.95 177.54 3hxs s PHE 111 N -0.58 3.29 -0.40 -1.98 0.08 0.75 -1.03 117.98 118.11 3hxs s PHE 111 Ca 0.12 -1.67 -0.07 0.00 0.12 0.00 0.00 56.93 55.43 3hxs s PHE 111 Cb -0.12 -2.31 0.08 0.00 -0.57 0.00 0.00 43.02 40.10 3hxs s PHE 111 CO 0.02 -0.78 0.21 0.08 -0.10 0.00 0.00 175.22 174.65 3hxs s VAL 112 N 1.33 3.89 0.70 -0.44 1.01 0.51 -1.11 120.40 126.29 3hxs s VAL 112 Ca -0.02 -1.50 -0.11 0.00 0.00 0.00 0.00 61.98 60.34 3hxs s VAL 112 Cb -0.20 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.79 3hxs s VAL 112 CO 0.01 -0.48 1.09 -2.16 0.00 0.00 0.00 175.10 173.56 3hxs s PRO 113 N 1.35 2.87 0.47 2.72 0.04 -1.26 -0.85 135.00 140.34 3hxs s PRO 113 Ca 0.03 0.44 0.13 0.00 0.04 0.00 0.00 61.00 61.63 3hxs s PRO 113 Cb -0.22 -2.04 1.10 0.00 0.04 0.00 0.00 34.50 33.38 3hxs s PRO 113 CO 0.01 -1.01 2.09 0.52 0.04 0.00 0.00 177.00 178.65 3hxs h MET 114 N -0.62 0.24 -3.34 4.56 2.86 -1.89 -3.42 114.93 113.31 3hxs h MET 114 Ca -0.45 -0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.00 3hxs h MET 114 Cb 1.25 -0.05 -0.25 0.00 0.06 0.00 0.00 31.60 32.60 3hxs h MET 114 CO 0.64 0.16 -0.51 0.15 1.06 0.00 0.00 176.91 178.41 3hxs s LYS 115 N -5.26 0.24 0.00 1.72 1.02 -1.26 -4.75 119.74 111.45 3hxs s LYS 115 Ca -0.06 0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.08 3hxs s LYS 115 Cb 0.18 0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.60 3hxs s LYS 115 CO 0.70 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 175.51 3hxs n GLY 116 N 2.77 2.05 3.78 -3.33 0.00 -1.26 -5.04 105.19 104.15 3hxs n GLY 116 Ca -0.14 -2.04 -0.37 0.00 0.00 0.00 0.00 46.02 43.47 3hxs n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hxs s GLU 117 N -2.19 4.27 0.44 1.61 0.41 -1.26 -4.73 118.70 117.26 3hxs s GLU 117 Ca 0.00 1.54 -0.25 0.00 -0.41 0.00 0.00 54.97 55.85 3hxs s GLU 117 Cb 0.00 -2.66 -0.09 0.00 -1.78 0.00 0.00 34.13 29.60 3hxs s GLU 117 CO 0.00 -0.05 1.26 -2.30 -0.49 0.00 0.00 175.26 173.68 3hxs n PRO 118 N 0.18 1.85 -3.61 0.39 -0.02 -1.26 -4.76 135.00 127.76 3hxs n PRO 118 Ca 0.04 0.66 -0.37 0.00 -2.02 0.00 0.00 63.50 61.81 3hxs n PRO 118 Cb 0.49 -2.39 -0.07 0.00 -0.02 0.00 0.00 33.50 31.51 3hxs n PRO 118 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3hxs s GLN 119 N -2.31 4.04 -0.15 -0.52 0.74 -0.26 -4.92 119.66 116.28 3hxs s GLN 119 Ca 0.63 0.08 0.00 0.00 0.05 0.00 0.00 55.36 56.12 3hxs s GLN 119 Cb -0.49 -3.35 -0.00 0.00 1.10 0.00 0.00 33.01 30.27 3hxs s GLN 119 CO 0.56 0.42 -0.15 0.08 -0.55 0.00 0.00 175.29 175.66 3hxs s VAL 120 N -0.08 2.75 -0.17 1.34 1.01 -1.26 -0.18 120.40 123.82 3hxs s VAL 120 Ca 0.17 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 3hxs s VAL 120 Cb -0.13 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3hxs s VAL 120 CO 0.05 0.52 -0.11 0.21 0.00 0.00 0.00 175.10 175.77 3hxs s ASN 121 N 0.72 4.02 -0.23 3.32 3.84 0.18 -4.99 114.94 121.78 3hxs s ASN 121 Ca -0.07 -0.39 -0.12 0.00 0.21 0.00 0.00 52.86 52.50 3hxs s ASN 121 Cb -0.15 -1.64 -0.05 0.00 -0.55 0.00 0.00 41.25 38.86 3hxs s ASN 121 CO 0.01 0.08 0.22 -0.04 -2.79 0.00 0.00 177.10 174.59 3hxs s MET 122 N 0.86 4.09 0.00 0.43 -1.94 -1.26 -0.67 119.30 120.80 3hxs s MET 122 Ca -0.03 -0.16 0.00 0.00 -1.71 0.00 0.00 55.69 53.79 3hxs s MET 122 Cb -0.15 -3.55 0.00 0.00 2.01 0.00 0.00 34.83 33.14 3hxs s MET 122 CO 0.00 0.02 0.00 0.41 -0.01 0.00 0.00 175.02 175.44 3hxs n GLY 123 N 4.26 1.17 3.83 -0.03 0.00 -0.10 -5.02 105.19 109.30 3hxs n GLY 123 Ca -0.13 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.44 3hxs n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxs s ALA 124 N -1.49 2.89 0.04 4.61 0.00 -1.26 -4.69 121.76 121.87 3hxs s ALA 124 Ca 0.00 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.20 3hxs s ALA 124 Cb 0.00 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 3hxs s ALA 124 CO 0.00 -0.64 -0.08 -0.51 0.00 0.00 0.00 175.76 174.53 3hxs s LEU 125 N -4.57 2.25 0.75 0.00 1.43 -1.26 -5.12 118.68 112.16 3hxs s LEU 125 Ca 0.60 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 3hxs s LEU 125 Cb -0.13 -0.17 0.04 0.00 0.03 0.00 0.00 46.19 45.96 3hxs s LEU 125 CO 0.39 -0.19 1.09 -0.94 0.23 0.00 0.00 176.35 176.93 3hxs s SER 126 N -1.52 4.94 0.25 2.29 1.04 -1.26 -4.84 113.70 114.61 3hxs s SER 126 Ca -0.09 1.29 -0.03 0.00 0.48 0.00 0.00 55.95 57.59 3hxs s SER 126 Cb -0.10 -2.07 0.41 0.00 0.10 0.00 0.00 66.02 64.37 3hxs s SER 126 CO 0.00 -1.68 1.82 0.50 0.98 0.00 0.00 173.24 174.87 3hxs h LYS 127 N -0.89 0.84 -0.10 4.02 3.64 -1.99 0.64 116.57 122.74 3hxs h LYS 127 Ca -0.46 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 58.74 3hxs h LYS 127 Cb 1.25 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 3hxs h LYS 127 CO 0.60 0.56 -0.52 0.93 -2.27 0.00 0.00 179.45 178.75 3hxs h GLU 128 N 0.87 0.27 -0.39 1.90 4.39 -1.98 0.14 114.58 119.77 3hxs h GLU 128 Ca 0.41 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.88 3hxs h GLU 128 Cb 0.35 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 3hxs h GLU 128 CO -0.24 0.73 -0.05 1.96 -1.16 0.00 0.00 179.01 180.25 3hxs h GLN 129 N 0.21 0.73 -0.25 2.33 4.20 -1.75 -1.30 115.11 119.28 3hxs h GLN 129 Ca 0.01 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.45 3hxs h GLN 129 Cb 0.99 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 3hxs h GLN 129 CO 0.08 0.84 0.13 -0.07 -0.67 0.00 0.00 178.83 179.15 3hxs h LEU 130 N 0.54 0.31 -1.18 1.46 3.38 -0.50 -2.30 115.31 117.01 3hxs h LEU 130 Ca 0.10 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3hxs h LEU 130 Cb 0.55 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3hxs h LEU 130 CO 0.03 0.30 0.56 0.11 0.09 0.00 0.00 178.44 179.53 3hxs h LYS 131 N 0.29 1.06 -0.35 1.13 1.57 -0.70 0.11 116.57 119.67 3hxs h LYS 131 Ca 0.09 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 3hxs h LYS 131 Cb 0.07 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.09 3hxs h LYS 131 CO -0.01 0.70 0.08 0.78 -0.57 0.00 0.00 179.45 180.42 3hxs h GLY 132 N 1.09 0.41 1.36 3.86 0.00 -0.92 -0.15 103.07 108.73 3hxs h GLY 132 Ca 0.33 -0.03 -0.14 0.00 0.00 0.00 0.00 47.33 47.49 3hxs h GLY 132 CO -0.09 -0.02 -0.39 -0.97 0.00 0.00 0.00 176.54 175.07 3hxs h TYR 133 N 0.20 0.83 -0.50 5.60 0.99 -0.79 -1.72 116.97 121.59 3hxs h TYR 133 Ca 0.17 -0.24 -0.02 0.00 2.00 0.00 0.00 58.73 60.64 3hxs h TYR 133 Cb 0.18 -0.18 -0.02 0.00 1.00 0.00 0.00 36.73 37.71 3hxs h TYR 133 CO -0.18 0.98 0.24 0.82 -0.00 0.00 0.00 178.16 180.03 3hxs h ILE 134 N 0.58 1.19 0.15 -2.88 2.04 -0.68 0.48 117.51 118.38 3hxs h ILE 134 Ca 0.05 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3hxs h ILE 134 Cb 0.93 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3hxs h ILE 134 CO 0.08 0.21 -0.07 0.44 0.00 0.00 0.00 178.15 178.81 3hxs h ASP 135 N 0.66 -0.17 -0.01 1.72 3.32 -0.94 -1.40 116.42 119.61 3hxs h ASP 135 Ca 0.17 -0.31 -0.20 0.00 0.02 0.00 0.00 57.03 56.71 3hxs h ASP 135 Cb 0.11 0.04 0.02 0.00 0.22 0.00 0.00 39.33 39.71 3hxs h ASP 135 CO -0.02 0.25 -0.77 0.11 -1.72 0.00 0.00 179.24 177.09 3hxs h LYS 136 N -0.62 0.53 0.02 3.56 1.79 -1.33 -1.98 116.57 118.55 3hxs h LYS 136 Ca -0.02 -0.56 -0.33 0.00 -2.18 0.00 0.00 60.65 57.56 3hxs h LYS 136 Cb 0.47 0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 31.23 3hxs h LYS 136 CO 0.03 1.19 -1.81 0.28 -1.08 0.00 0.00 179.45 178.07 3hxs n VAL 137 N -4.08 1.56 -0.02 0.50 0.31 0.14 -3.24 118.33 113.50 3hxs n VAL 137 Ca -0.11 -0.25 -0.16 0.00 -0.01 0.00 0.00 64.34 63.82 3hxs n VAL 137 Cb 0.75 -1.92 -0.09 0.00 -0.91 0.00 0.00 33.84 31.67 3hxs n VAL 137 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3hxs h LEU 138 N -0.80 0.57 -2.10 7.52 4.07 -1.30 -3.37 115.31 119.90 3hxs h LEU 138 Ca -0.48 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 56.82 3hxs h LEU 138 Cb 1.53 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 43.10 3hxs h LEU 138 CO -0.23 1.14 0.00 0.18 -1.08 0.00 0.00 178.44 178.45 3hxs n LEU 139 N -4.26 2.75 -3.69 1.67 4.77 -0.55 -4.70 117.00 112.98 3hxs n LEU 139 Ca -0.08 -1.39 -0.23 0.00 -0.03 0.00 0.00 56.01 54.28 3hxs n LEU 139 Cb 0.59 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.58 3hxs n LEU 139 CO 0.45 0.58 -0.08 0.29 -1.33 0.00 0.00 177.39 177.31 3hxs n LYS 140 N 0.95 -3.98 0.00 3.23 5.02 -1.00 -4.95 118.16 117.42 3hxs n LYS 140 Ca 0.12 0.59 0.15 0.00 -2.02 0.00 0.00 58.31 57.15 3hxs n LYS 140 Cb 0.45 -4.99 0.71 0.00 -0.02 0.00 0.00 35.03 31.18 3hxs n LYS 140 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92