#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxs n THR 2 N 0.00 0.00 -4.28 0.00 -2.24 -1.26 -4.51 114.28 101.98 1sxs n THR 2 Ca 0.00 -0.38 -0.18 0.00 -2.27 0.00 0.00 64.05 61.22 1sxs n THR 2 Cb 0.00 0.95 -0.13 0.00 -2.10 0.00 0.00 70.33 69.05 1sxs n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sxs s LYS 3 N -1.46 0.80 0.12 -0.78 1.02 -1.26 -0.58 119.74 117.59 1sxs s LYS 3 Ca 0.01 -0.67 -0.06 0.00 0.02 0.00 0.00 55.97 55.28 1sxs s LYS 3 Cb 0.03 -0.76 -0.02 0.00 -0.52 0.00 0.00 37.83 36.56 1sxs s LYS 3 CO 0.17 0.19 0.15 0.00 -0.92 0.00 0.00 175.35 174.94 1sxs s ALA 4 N -0.83 0.25 -0.07 5.17 0.00 -0.56 -1.80 121.76 123.93 1sxs s ALA 4 Ca -0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 1sxs s ALA 4 Cb -0.07 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.76 1sxs s ALA 4 CO 0.01 -0.53 0.33 0.54 0.00 0.00 0.00 175.76 176.11 1sxs s VAL 5 N -3.96 0.03 -0.02 0.00 0.11 -0.13 -1.57 120.40 114.86 1sxs s VAL 5 Ca 0.15 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 1sxs s VAL 5 Cb 0.05 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.36 1sxs s VAL 5 CO -0.04 -0.13 -0.07 0.00 -3.33 0.00 0.00 175.10 171.53 1sxs s VAL 7 N 0.28 3.26 -0.06 0.00 1.01 -1.26 -1.05 120.40 122.58 1sxs s VAL 7 Ca -0.04 -1.02 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 1sxs s VAL 7 Cb -0.08 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 1sxs s VAL 7 CO 0.00 0.07 0.53 -0.76 0.00 0.00 0.00 175.10 174.95 1sxs s LEU 8 N 1.36 4.35 0.02 3.92 1.43 0.25 -3.92 118.68 126.10 1sxs s LEU 8 Ca -0.01 0.99 -0.16 0.00 -1.03 0.00 0.00 54.13 53.93 1sxs s LEU 8 Cb -0.18 -2.80 0.03 0.00 0.03 0.00 0.00 46.19 43.27 1sxs s LEU 8 CO -0.01 0.06 0.35 -0.54 0.23 0.00 0.00 176.35 176.43 1sxs s LYS 9 N 0.17 0.81 0.00 1.70 1.02 -0.76 -2.04 119.74 120.63 1sxs s LYS 9 Ca 0.29 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 55.93 1sxs s LYS 9 Cb -0.17 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 1sxs s LYS 9 CO 0.14 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 1sxs n GLY 10 N 0.78 3.77 0.24 -3.33 0.00 -1.24 -0.98 105.19 104.42 1sxs n GLY 10 Ca -0.19 -1.22 0.13 0.00 0.00 0.00 0.00 46.02 44.74 1sxs n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sxs h ASP 11 N 0.00 0.00 -0.37 1.61 3.32 -1.92 -3.46 116.42 115.60 1sxs h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sxs h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sxs h ASP 11 CO 0.00 0.12 0.00 0.61 -1.72 0.00 0.00 179.24 178.25 1sxs n GLY 12 N 0.34 2.85 0.10 2.75 0.00 -1.26 -5.02 105.19 104.94 1sxs n GLY 12 Ca 0.01 -1.91 0.14 0.00 0.00 0.00 0.00 46.02 44.26 1sxs n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxs n PRO 13 N 0.00 0.50 -2.30 1.61 -0.04 -1.26 -4.87 135.00 128.64 1sxs n PRO 13 Ca 0.00 -0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 62.85 1sxs n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1sxs n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sxs s VAL 14 N -2.64 3.36 -0.03 0.52 1.01 -1.26 -4.36 120.40 117.00 1sxs s VAL 14 Ca 0.23 1.16 -0.24 0.00 0.00 0.00 0.00 61.98 63.13 1sxs s VAL 14 Cb 0.19 -3.74 0.05 0.00 0.00 0.00 0.00 36.38 32.88 1sxs s VAL 14 CO 0.53 0.19 0.51 0.00 0.00 0.00 0.00 175.10 176.34 1sxs s GLN 15 N -0.37 0.90 -0.19 2.72 0.00 -1.10 -3.72 119.66 117.90 1sxs s GLN 15 Ca 0.54 0.03 -0.36 0.00 -0.00 0.00 0.00 55.36 55.57 1sxs s GLN 15 Cb -0.35 0.41 0.15 0.00 0.00 0.00 0.00 33.01 33.23 1sxs s GLN 15 CO 0.39 -0.27 1.39 0.20 0.00 0.00 0.00 175.29 176.99 1sxs s GLY 16 N -1.32 -0.34 -0.12 2.60 0.00 -0.87 -0.91 107.32 106.36 1sxs s GLY 16 Ca -0.12 1.43 0.00 0.00 0.00 0.00 0.00 44.72 46.03 1sxs s GLY 16 CO 0.07 0.41 -0.11 -1.59 0.00 0.00 0.00 173.10 171.88 1sxs s THR 17 N -2.08 1.26 -0.12 0.90 2.01 -1.10 0.88 115.64 117.39 1sxs s THR 17 Ca 0.13 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 1sxs s THR 17 Cb 0.03 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 1sxs s THR 17 CO -0.04 0.41 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.57 1sxs s ILE 18 N 1.52 3.44 -0.07 1.82 -1.09 -0.21 -2.76 121.20 123.85 1sxs s ILE 18 Ca 0.03 -0.54 -0.00 0.00 -2.23 0.00 0.00 60.65 57.91 1sxs s ILE 18 Cb -0.13 -2.45 -0.03 0.00 -1.58 0.00 0.00 42.46 38.27 1sxs s ILE 18 CO -0.08 0.54 -0.03 -1.00 -1.23 0.00 0.00 174.94 173.13 1sxs s HIS 19 N -0.01 3.04 0.02 3.97 3.76 -0.10 -0.40 115.29 125.58 1sxs s HIS 19 Ca -0.02 0.10 0.07 0.00 -0.15 0.00 0.00 55.06 55.06 1sxs s HIS 19 Cb -0.14 -1.74 -0.02 0.00 1.11 0.00 0.00 32.58 31.79 1sxs s HIS 19 CO 0.03 0.40 -0.20 -0.06 -0.85 0.00 0.00 174.74 174.06 1sxs s PHE 20 N -0.87 1.81 -0.08 1.40 0.40 -0.61 -1.16 117.98 118.87 1sxs s PHE 20 Ca 0.13 -0.36 -0.04 0.00 -0.60 0.00 0.00 56.93 56.07 1sxs s PHE 20 Cb -0.11 -1.12 0.04 0.00 0.51 0.00 0.00 43.02 42.35 1sxs s PHE 20 CO 0.03 0.04 0.18 -2.00 0.70 0.00 0.00 175.22 174.16 1sxs s GLU 21 N -0.86 0.11 -0.32 0.44 2.12 -0.67 -1.49 118.70 118.02 1sxs s GLU 21 Ca 0.08 0.47 -0.27 0.00 0.36 0.00 0.00 54.97 55.61 1sxs s GLU 21 Cb -0.08 -0.18 0.01 0.00 0.26 0.00 0.00 34.13 34.14 1sxs s GLU 21 CO 0.01 -0.20 0.96 0.00 -0.54 0.00 0.00 175.26 175.49 1sxs s ALA 22 N 1.50 3.50 -0.32 6.30 0.00 0.25 -0.48 121.76 132.50 1sxs s ALA 22 Ca -0.06 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1sxs s ALA 22 Cb -0.11 -3.53 0.08 0.00 0.00 0.00 0.00 23.12 19.55 1sxs s ALA 22 CO -0.07 -1.41 0.03 0.15 0.00 0.00 0.00 175.76 174.46 1sxs s LYS 23 N 3.40 2.05 7.58 0.00 3.01 -0.65 -4.97 119.74 130.16 1sxs s LYS 23 Ca 0.40 -1.56 0.00 0.00 -1.01 0.00 0.00 55.97 53.80 1sxs s LYS 23 Cb -0.13 -3.20 0.00 0.00 -1.01 0.00 0.00 37.83 33.49 1sxs s LYS 23 CO 0.15 -0.79 0.00 0.41 0.51 0.00 0.00 175.35 175.63 1sxs n GLY 24 N 4.47 2.96 1.48 -3.33 0.00 -1.26 -1.84 105.19 107.68 1sxs n GLY 24 Ca -0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 1sxs n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sxs n ASP 25 N 6.51 3.77 -4.41 1.61 -0.08 -1.26 -4.93 116.55 117.76 1sxs n ASP 25 Ca 0.00 -3.38 -0.20 0.00 -1.51 0.00 0.00 54.79 49.70 1sxs n ASP 25 Cb 0.00 -0.67 -0.10 0.00 2.34 0.00 0.00 41.12 42.68 1sxs n ASP 25 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1sxs s THR 26 N -3.06 1.38 -0.09 5.18 -4.23 -0.77 -4.60 115.64 109.45 1sxs s THR 26 Ca 0.49 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 58.96 1sxs s THR 26 Cb 0.41 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.75 1sxs s THR 26 CO 0.08 -0.23 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.05 1sxs s VAL 27 N -3.18 1.68 -0.30 2.29 1.01 0.10 -1.63 120.40 120.36 1sxs s VAL 27 Ca 0.31 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 1sxs s VAL 27 Cb 0.06 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1sxs s VAL 27 CO 0.12 0.47 0.21 -0.69 0.00 0.00 0.00 175.10 175.21 1sxs s VAL 28 N 0.54 5.29 -0.25 2.92 1.01 0.37 -0.44 120.40 129.83 1sxs s VAL 28 Ca -0.16 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 1sxs s VAL 28 Cb -0.17 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1sxs s VAL 28 CO 0.06 0.14 0.14 -0.69 0.00 0.00 0.00 175.10 174.75 1sxs s VAL 29 N 1.74 5.04 0.40 2.92 1.01 0.45 -1.68 120.40 130.28 1sxs s VAL 29 Ca 0.07 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1sxs s VAL 29 Cb -0.17 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1sxs s VAL 29 CO 0.11 0.32 0.19 0.42 0.00 0.00 0.00 175.10 176.13 1sxs s THR 30 N 1.37 0.36 -1.99 3.92 -4.23 -0.30 -1.06 115.64 113.72 1sxs s THR 30 Ca 0.07 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1sxs s THR 30 Cb -0.15 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1sxs s THR 30 CO 0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1sxs n GLY 31 N -0.86 0.64 3.04 3.99 0.00 -1.08 -0.92 105.19 110.01 1sxs n GLY 31 Ca -0.02 -2.16 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 1sxs n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxs s SER 32 N -2.93 0.30 -0.02 1.61 1.04 -1.11 0.02 113.70 112.61 1sxs s SER 32 Ca 0.00 -0.65 0.04 0.00 0.48 0.00 0.00 55.95 55.82 1sxs s SER 32 Cb 0.00 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 1sxs s SER 32 CO 0.00 -0.44 -0.14 -0.63 0.98 0.00 0.00 173.24 173.02 1sxs s ILE 33 N -2.44 1.11 0.38 -1.02 1.01 0.12 -2.71 121.20 117.65 1sxs s ILE 33 Ca -0.07 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.04 1sxs s ILE 33 Cb -0.03 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 1sxs s ILE 33 CO -0.04 0.32 0.06 0.42 0.00 0.00 0.00 174.94 175.70 1sxs s THR 34 N -0.20 1.13 -0.16 2.92 -4.23 -0.09 0.32 115.64 115.33 1sxs s THR 34 Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1sxs s THR 34 Cb -0.07 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1sxs s THR 34 CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1sxs n GLY 35 N -0.85 0.49 3.84 3.99 0.00 -1.07 -2.69 105.19 108.90 1sxs n GLY 35 Ca -0.06 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1sxs n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxs s LEU 36 N -0.35 4.32 0.30 0.99 1.43 -0.32 -4.39 118.68 120.65 1sxs s LEU 36 Ca 0.00 1.14 -0.29 0.00 -1.03 0.00 0.00 54.13 53.95 1sxs s LEU 36 Cb 0.00 -3.38 -0.10 0.00 0.03 0.00 0.00 46.19 42.74 1sxs s LEU 36 CO 0.00 0.07 1.34 0.42 0.23 0.00 0.00 176.35 178.41 1sxs s THR 37 N -1.52 2.73 0.62 5.49 -4.23 -1.26 -3.61 115.64 113.86 1sxs s THR 37 Ca 0.40 0.69 -0.17 0.00 -1.18 0.00 0.00 61.69 61.43 1sxs s THR 37 Cb -0.15 -3.44 -0.07 0.00 1.34 0.00 0.00 72.50 70.18 1sxs s THR 37 CO 0.20 0.15 0.53 1.21 -0.54 0.00 0.00 174.62 176.16 1sxs n GLU 38 N 1.30 0.46 0.00 3.99 2.13 -1.24 -4.46 120.64 122.82 1sxs n GLU 38 Ca 0.02 0.19 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1sxs n GLU 38 Cb 0.41 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.38 1sxs n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sxs n GLY 39 N 1.75 -0.00 3.74 8.31 0.00 0.16 -4.82 105.19 114.34 1sxs n GLY 39 Ca 0.11 -2.28 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 1sxs n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxs s ASP 40 N -2.11 7.00 -0.04 1.61 1.11 -1.26 0.19 116.67 123.18 1sxs s ASP 40 Ca 0.00 1.20 0.03 0.00 0.18 0.00 0.00 52.55 53.96 1sxs s ASP 40 Cb 0.00 -2.39 0.00 0.00 1.07 0.00 0.00 42.92 41.60 1sxs s ASP 40 CO 0.00 0.02 -0.12 -1.00 1.18 0.00 0.00 175.17 175.25 1sxs s HIS 41 N 0.14 1.26 0.20 4.23 3.76 0.29 -2.06 115.29 123.12 1sxs s HIS 41 Ca 0.34 -0.36 -0.32 0.00 -0.15 0.00 0.00 55.06 54.56 1sxs s HIS 41 Cb -0.18 -0.89 -0.13 0.00 1.11 0.00 0.00 32.58 32.49 1sxs s HIS 41 CO 0.18 -0.15 1.55 0.41 -0.85 0.00 0.00 174.74 175.88 1sxs n GLY 42 N 3.34 1.09 2.77 -2.22 0.00 -0.38 0.03 105.19 109.83 1sxs n GLY 42 Ca -0.19 0.58 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 1sxs n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sxs s PHE 43 N 0.56 1.89 0.06 1.61 5.36 -0.34 0.19 117.98 127.30 1sxs s PHE 43 Ca 0.74 -1.78 0.01 0.00 -0.96 0.00 0.00 56.93 54.94 1sxs s PHE 43 Cb -0.63 -1.76 -0.03 0.00 -0.34 0.00 0.00 43.02 40.26 1sxs s PHE 43 CO 0.42 -0.85 -0.06 -1.01 -1.46 0.00 0.00 175.22 172.26 1sxs s HIS 44 N 1.56 0.66 -0.44 10.12 3.76 -0.61 -2.91 115.29 127.43 1sxs s HIS 44 Ca 0.08 -0.77 -0.23 0.00 -0.15 0.00 0.00 55.06 54.00 1sxs s HIS 44 Cb -0.17 -0.41 0.02 0.00 1.11 0.00 0.00 32.58 33.13 1sxs s HIS 44 CO -0.21 -0.18 0.75 0.08 -0.85 0.00 0.00 174.74 174.34 1sxs s VAL 45 N -2.70 4.69 0.53 -0.90 1.01 -0.56 -0.06 120.40 122.41 1sxs s VAL 45 Ca 0.00 0.38 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 1sxs s VAL 45 Cb -0.01 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1sxs s VAL 45 CO -0.04 -0.68 0.85 -1.00 0.00 0.00 0.00 175.10 174.24 1sxs s HIS 46 N 3.18 3.49 0.08 5.22 3.76 0.82 -0.22 115.29 131.62 1sxs s HIS 46 Ca 0.28 0.83 -0.20 0.00 -0.15 0.00 0.00 55.06 55.82 1sxs s HIS 46 Cb -0.13 -2.48 -0.10 0.00 1.11 0.00 0.00 32.58 30.98 1sxs s HIS 46 CO 0.22 -0.49 1.59 0.37 -0.85 0.00 0.00 174.74 175.57 1sxs h GLN 47 N 0.03 0.28 -6.05 1.40 4.15 -0.22 -3.13 115.11 111.57 1sxs h GLN 47 Ca -0.46 -0.06 -0.63 0.00 0.77 0.00 0.00 58.65 58.27 1sxs h GLN 47 Cb 1.22 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.80 1sxs h GLN 47 CO 0.61 0.40 -0.56 -0.06 -1.93 0.00 0.00 178.83 177.29 1sxs s PHE 48 N -5.38 3.34 -0.73 3.99 0.08 0.21 -4.70 117.98 114.80 1sxs s PHE 48 Ca -0.14 0.16 -0.02 0.00 0.12 0.00 0.00 56.93 57.06 1sxs s PHE 48 Cb 0.07 -1.69 0.35 0.00 -0.57 0.00 0.00 43.02 41.18 1sxs s PHE 48 CO 0.71 0.56 2.10 0.41 -0.10 0.00 0.00 175.22 178.89 1sxs n GLY 49 N 0.45 5.47 3.33 4.36 0.00 -0.97 -3.48 105.19 114.35 1sxs n GLY 49 Ca -0.07 -2.30 -0.41 0.00 0.00 0.00 0.00 46.02 43.23 1sxs n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sxs s ASP 50 N -1.15 5.79 -0.15 1.61 -1.08 -1.26 -4.93 116.67 115.50 1sxs s ASP 50 Ca 0.56 -1.29 0.16 0.00 -0.52 0.00 0.00 52.55 51.46 1sxs s ASP 50 Cb 0.45 -2.04 0.62 0.00 -1.46 0.00 0.00 42.92 40.49 1sxs s ASP 50 CO -0.24 -0.51 1.54 -3.20 0.52 0.00 0.00 175.17 173.28 1sxs n ASN 51 N 5.01 4.45 0.24 -0.34 5.15 -1.26 -3.19 115.26 125.32 1sxs n ASN 51 Ca -0.11 -2.68 0.08 0.00 -0.60 0.00 0.00 54.58 51.27 1sxs n ASN 51 Cb 0.44 -0.54 0.59 0.00 -0.53 0.00 0.00 39.78 39.74 1sxs n ASN 51 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1sxs h THR 52 N 3.04 0.94 -1.46 -0.44 1.35 -1.93 -2.79 112.91 111.61 1sxs h THR 52 Ca 0.00 -0.55 -0.58 0.00 -0.55 0.00 0.00 66.41 64.73 1sxs h THR 52 Cb 1.47 1.31 -0.42 0.00 -1.73 0.00 0.00 68.15 68.78 1sxs h THR 52 CO 0.25 0.15 -0.75 0.00 -0.25 0.00 0.00 175.52 174.92 1sxs n GLN 53 N -4.11 3.37 0.00 4.72 6.02 -1.26 -5.05 117.38 121.07 1sxs n GLN 53 Ca -0.02 -4.45 0.00 0.00 -0.01 0.00 0.00 57.00 52.51 1sxs n GLN 53 Cb 0.23 -2.22 0.00 0.00 1.02 0.00 0.00 30.24 29.27 1sxs n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sxs n GLY 54 N -0.48 2.70 0.08 1.08 0.00 -1.06 -2.96 105.19 104.56 1sxs n GLY 54 Ca 0.38 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1sxs n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxs h THR 56 N 0.00 0.99 0.00 0.00 2.02 -1.87 -2.73 112.91 111.32 1sxs h THR 56 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1sxs h THR 56 Cb 0.69 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1sxs h THR 56 CO 0.00 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.35 1sxs n SER 57 N -5.09 0.00 0.01 4.18 3.41 -1.22 -2.95 113.62 111.97 1sxs n SER 57 Ca -0.07 -1.11 0.08 0.00 -0.26 0.00 0.00 58.87 57.52 1sxs n SER 57 Cb 0.03 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.35 1sxs n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sxs n ALA 58 N -0.75 1.75 -0.48 7.33 0.00 -1.03 -4.43 120.51 122.90 1sxs n ALA 58 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1sxs n ALA 58 Cb 0.04 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1sxs n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxs n GLY 59 N 0.19 -0.13 3.93 0.00 0.00 -1.15 -0.62 105.19 107.41 1sxs n GLY 59 Ca 0.04 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 1sxs n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxs n PRO 60 N 0.00 -0.72 -1.90 1.61 -0.04 -1.26 -4.61 135.00 128.08 1sxs n PRO 60 Ca 0.00 -2.43 -0.38 0.00 -0.04 0.00 0.00 63.50 60.65 1sxs n PRO 60 Cb 0.00 -1.03 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 1sxs n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sxs s HIS 61 N -3.55 2.39 -0.15 0.54 3.76 -1.26 -0.07 115.29 116.95 1sxs s HIS 61 Ca 0.72 1.43 -0.29 0.00 -0.15 0.00 0.00 55.06 56.77 1sxs s HIS 61 Cb -0.03 -3.67 -0.04 0.00 1.11 0.00 0.00 32.58 29.95 1sxs s HIS 61 CO 0.49 -2.55 1.73 0.12 -0.85 0.00 0.00 174.74 173.69 1sxs s PHE 62 N -1.39 1.87 -0.41 1.40 5.36 0.70 -4.41 117.98 121.10 1sxs s PHE 62 Ca 0.72 0.33 0.08 0.00 -0.96 0.00 0.00 56.93 57.10 1sxs s PHE 62 Cb -0.37 -3.99 0.24 0.00 -0.34 0.00 0.00 43.02 38.57 1sxs s PHE 62 CO 0.43 -3.61 0.52 -1.71 -1.46 0.00 0.00 175.22 169.38 1sxs n ASN 63 N 8.36 0.30 0.14 6.13 5.15 -1.26 -1.08 115.26 133.01 1sxs n ASN 63 Ca 0.20 -2.70 0.05 0.00 -0.60 0.00 0.00 54.58 51.53 1sxs n ASN 63 Cb 0.44 -0.63 0.50 0.00 -0.53 0.00 0.00 39.78 39.56 1sxs n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1sxs h PRO 64 N 4.15 0.23 -0.30 1.20 0.13 -1.96 -2.66 132.00 132.78 1sxs h PRO 64 Ca 0.09 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1sxs h PRO 64 Cb 0.87 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1sxs h PRO 64 CO 0.47 0.21 0.00 1.28 -0.23 0.00 0.00 178.00 179.74 1sxs n LEU 65 N -4.44 1.94 -3.94 1.56 4.77 -1.26 -4.94 117.00 110.69 1sxs n LEU 65 Ca -0.01 -0.92 -0.30 0.00 -0.03 0.00 0.00 56.01 54.76 1sxs n LEU 65 Cb 0.13 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1sxs n LEU 65 CO 0.35 0.46 0.07 -1.20 -1.33 0.00 0.00 177.39 175.74 1sxs n SER 66 N 0.53 -4.24 -3.51 -1.43 7.64 -1.00 -4.98 113.62 106.63 1sxs n SER 66 Ca 0.14 -0.82 -0.15 0.00 1.01 0.00 0.00 58.87 59.06 1sxs n SER 66 Cb 0.33 -3.75 0.08 0.00 -1.01 0.00 0.00 64.21 59.87 1sxs n SER 66 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1sxs n LYS 67 N -4.62 0.00 -3.48 1.43 5.02 -1.26 -5.09 118.16 110.16 1sxs n LYS 67 Ca 0.01 -1.61 -0.21 0.00 -2.02 0.00 0.00 58.31 54.48 1sxs n LYS 67 Cb 0.54 -0.49 -0.01 0.00 -0.02 0.00 0.00 35.03 35.06 1sxs n LYS 67 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1sxs s LYS 68 N -4.19 3.23 0.18 1.97 1.02 -1.26 -4.77 119.74 115.91 1sxs s LYS 68 Ca 0.42 -0.76 -0.32 0.00 0.02 0.00 0.00 55.97 55.33 1sxs s LYS 68 Cb -0.02 -2.76 -0.11 0.00 -0.52 0.00 0.00 37.83 34.42 1sxs s LYS 68 CO 0.28 0.09 1.64 -1.58 -0.92 0.00 0.00 175.35 174.87 1sxs s HIS 69 N -2.22 2.97 0.00 3.18 5.65 0.21 -3.20 115.29 121.87 1sxs s HIS 69 Ca 0.42 0.48 0.00 0.00 0.25 0.00 0.00 55.06 56.21 1sxs s HIS 69 Cb -0.09 -4.03 0.00 0.00 -1.18 0.00 0.00 32.58 27.28 1sxs s HIS 69 CO 0.33 -3.86 0.00 0.41 -0.65 0.00 0.00 174.74 170.96 1sxs n GLY 70 N 3.87 5.38 3.82 1.59 0.00 -1.25 -4.19 105.19 114.41 1sxs n GLY 70 Ca 0.15 -1.60 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 1sxs n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sxs s GLY 71 N -0.22 2.24 0.30 -0.02 0.00 -1.25 -4.64 107.32 103.73 1sxs s GLY 71 Ca 0.00 -1.92 0.01 0.00 0.00 0.00 0.00 44.72 42.81 1sxs s GLY 71 CO 0.00 -1.81 1.90 -0.56 0.00 0.00 0.00 173.10 172.63 1sxs h PRO 72 N 1.17 0.97 -0.00 2.90 0.13 -1.86 -2.55 132.00 132.76 1sxs h PRO 72 Ca -0.42 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1sxs h PRO 72 Cb 1.26 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1sxs h PRO 72 CO 0.63 0.64 -0.02 1.63 -0.23 0.00 0.00 178.00 180.65 1sxs n LYS 73 N -4.51 0.35 -2.00 0.86 5.02 -1.26 -4.86 118.16 111.75 1sxs n LYS 73 Ca 0.15 -0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.12 1sxs n LYS 73 Cb 0.24 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.78 1sxs n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sxs s ASP 74 N -2.66 5.88 -0.09 4.39 1.01 -0.96 -4.99 116.67 119.24 1sxs s ASP 74 Ca 0.25 1.19 0.05 0.00 0.71 0.00 0.00 52.55 54.75 1sxs s ASP 74 Cb 0.20 -2.17 -0.24 0.00 1.01 0.00 0.00 42.92 41.72 1sxs s ASP 74 CO 0.48 -1.04 0.49 -1.84 0.21 0.00 0.00 175.17 173.48 1sxs n GLU 75 N -2.78 0.69 -3.18 8.23 0.28 -1.26 -4.51 120.64 118.10 1sxs n GLU 75 Ca 0.06 0.26 -0.46 0.00 -0.16 0.00 0.00 57.16 56.86 1sxs n GLU 75 Cb 0.56 -1.74 -0.03 0.00 1.43 0.00 0.00 31.44 31.66 1sxs n GLU 75 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1sxs s GLU 76 N -2.58 3.47 0.18 3.44 2.56 -1.26 -4.95 118.70 119.57 1sxs s GLU 76 Ca -0.13 -2.03 -0.16 0.00 0.00 0.00 0.00 54.97 52.65 1sxs s GLU 76 Cb 0.07 -4.53 0.02 0.00 2.00 0.00 0.00 34.13 31.69 1sxs s GLU 76 CO 0.80 -1.47 0.47 -0.98 -0.56 0.00 0.00 175.26 173.51 1sxs s ARG 77 N 1.39 1.29 0.51 4.30 1.70 -1.20 -3.93 118.95 123.01 1sxs s ARG 77 Ca 0.20 -0.87 -0.17 0.00 -0.47 0.00 0.00 55.73 54.42 1sxs s ARG 77 Cb -0.12 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.67 1sxs s ARG 77 CO -0.06 -0.53 0.99 -1.01 -1.08 0.00 0.00 175.30 173.61 1sxs s HIS 78 N -3.87 3.38 0.40 5.89 3.76 -1.20 -4.64 115.29 119.01 1sxs s HIS 78 Ca 0.09 1.49 0.06 0.00 -0.15 0.00 0.00 55.06 56.55 1sxs s HIS 78 Cb 0.00 -2.83 0.80 0.00 1.11 0.00 0.00 32.58 31.67 1sxs s HIS 78 CO -0.04 -0.42 2.05 0.28 -0.85 0.00 0.00 174.74 175.75 1sxs h VAL 79 N 1.01 1.12 -0.08 -0.90 2.07 -1.73 -2.38 116.25 115.36 1sxs h VAL 79 Ca -0.47 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1sxs h VAL 79 Cb 1.19 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1sxs h VAL 79 CO 0.61 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.92 1sxs n GLY 80 N -1.47 -0.53 3.55 2.17 0.00 -0.24 -4.41 105.19 104.26 1sxs n GLY 80 Ca 0.04 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1sxs n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxs s ASP 81 N -1.33 6.25 -0.21 1.61 1.01 -0.90 -1.49 116.67 121.61 1sxs s ASP 81 Ca 0.20 -0.72 0.15 0.00 0.71 0.00 0.00 52.55 52.90 1sxs s ASP 81 Cb 0.10 -2.56 0.60 0.00 1.01 0.00 0.00 42.92 42.07 1sxs s ASP 81 CO 0.15 -1.74 1.51 0.18 0.21 0.00 0.00 175.17 175.48 1sxs n LEU 82 N 9.20 4.39 0.00 1.23 4.77 -1.15 -3.59 117.00 131.85 1sxs n LEU 82 Ca 0.10 -3.07 0.00 0.00 -0.03 0.00 0.00 56.01 53.02 1sxs n LEU 82 Cb 0.49 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1sxs n LEU 82 CO 0.69 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 178.07 1sxs n GLY 83 N -0.32 2.64 3.16 -0.72 0.00 -1.24 -4.77 105.19 103.93 1sxs n GLY 83 Ca 0.25 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 1sxs n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sxs s ASN 84 N -4.00 1.58 0.24 1.61 0.01 -1.26 -1.20 114.94 111.92 1sxs s ASN 84 Ca 0.00 -0.61 0.09 0.00 -0.71 0.00 0.00 52.86 51.63 1sxs s ASN 84 Cb 0.00 -0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.58 1sxs s ASN 84 CO 0.00 -0.09 0.03 0.68 -1.51 0.00 0.00 177.10 176.21 1sxs s VAL 85 N -1.29 3.70 -0.20 1.60 -7.23 0.10 -4.86 120.40 112.23 1sxs s VAL 85 Ca -0.03 -1.70 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 1sxs s VAL 85 Cb -0.10 -2.96 0.04 0.00 0.56 0.00 0.00 36.38 33.92 1sxs s VAL 85 CO 0.02 -0.31 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.49 1sxs s THR 86 N -2.15 1.72 0.17 5.32 2.01 -1.26 0.10 115.64 121.57 1sxs s THR 86 Ca 0.31 -1.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 1sxs s THR 86 Cb -0.07 -1.75 -0.07 0.00 0.01 0.00 0.00 72.50 70.61 1sxs s THR 86 CO 0.21 0.23 0.97 0.00 -0.69 0.00 0.00 174.62 175.33 1sxs s ALA 87 N 1.37 3.30 1.00 7.40 0.00 0.51 -4.20 121.76 131.14 1sxs s ALA 87 Ca -0.00 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1sxs s ALA 87 Cb -0.16 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1sxs s ALA 87 CO -0.09 0.06 0.00 -0.40 0.00 0.00 0.00 175.76 175.33 1sxs n ASP 88 N 2.18 -0.15 0.21 0.00 5.68 -0.69 0.39 116.55 124.17 1sxs n ASP 88 Ca 0.00 -0.85 0.06 0.00 -0.50 0.00 0.00 54.79 53.51 1sxs n ASP 88 Cb 0.48 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.93 1sxs n ASP 88 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1sxs h LYS 89 N 0.00 0.00 -0.00 0.11 -0.00 -1.94 -2.02 116.57 112.71 1sxs h LYS 89 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1sxs h LYS 89 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1sxs h LYS 89 CO 0.00 0.29 -0.01 0.09 -0.00 0.00 0.00 179.45 179.82 1sxs n ASN 90 N -3.83 0.12 0.00 7.07 3.02 -1.26 -4.69 115.26 115.69 1sxs n ASN 90 Ca -0.01 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1sxs n ASN 90 Cb 0.37 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 1sxs n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxs n GLY 91 N 1.07 0.50 3.57 7.41 0.00 -0.76 -4.65 105.19 112.33 1sxs n GLY 91 Ca 0.22 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 1sxs n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sxs s VAL 92 N -2.00 4.87 -0.18 1.61 1.01 -1.26 -1.18 120.40 123.27 1sxs s VAL 92 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 1sxs s VAL 92 Cb 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1sxs s VAL 92 CO 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 175.10 175.45 1sxs s ALA 93 N 1.17 3.07 -0.28 5.51 0.00 0.15 -1.71 121.76 129.67 1sxs s ALA 93 Ca 0.06 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 1sxs s ALA 93 Cb -0.14 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 1sxs s ALA 93 CO 0.04 0.04 0.19 0.42 0.00 0.00 0.00 175.76 176.45 1sxs s ILE 94 N 0.67 5.25 -0.12 0.00 -1.09 -1.26 0.16 121.20 124.81 1sxs s ILE 94 Ca -0.01 0.13 -0.17 0.00 -2.23 0.00 0.00 60.65 58.37 1sxs s ILE 94 Cb -0.14 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 1sxs s ILE 94 CO 0.02 0.24 0.43 -0.69 -1.23 0.00 0.00 174.94 173.72 1sxs s VAL 95 N 1.75 5.20 -0.40 2.92 1.01 0.10 -4.80 120.40 126.18 1sxs s VAL 95 Ca 0.07 0.86 0.07 0.00 0.00 0.00 0.00 61.98 62.98 1sxs s VAL 95 Cb -0.16 -3.77 0.17 0.00 0.00 0.00 0.00 36.38 32.62 1sxs s VAL 95 CO 0.11 0.36 0.57 -0.62 0.00 0.00 0.00 175.10 175.51 1sxs s ASP 96 N 0.45 -0.89 0.09 3.32 -1.08 -1.22 -2.62 116.67 114.72 1sxs s ASP 96 Ca 0.24 -0.97 0.08 0.00 -0.52 0.00 0.00 52.55 51.38 1sxs s ASP 96 Cb -0.15 1.63 -0.03 0.00 -1.46 0.00 0.00 42.92 42.91 1sxs s ASP 96 CO 0.09 -0.19 -0.21 -0.63 0.52 0.00 0.00 175.17 174.75 1sxs s ILE 97 N 1.75 1.70 -0.15 4.11 1.01 -0.22 -5.00 121.20 124.40 1sxs s ILE 97 Ca 0.16 -1.47 -0.00 0.00 0.00 0.00 0.00 60.65 59.34 1sxs s ILE 97 Cb -0.07 -1.54 0.03 0.00 0.01 0.00 0.00 42.46 40.90 1sxs s ILE 97 CO -0.06 -0.00 -0.09 -0.69 0.00 0.00 0.00 174.94 174.09 1sxs s VAL 98 N -1.09 1.31 -0.02 2.92 1.01 -1.26 -0.41 120.40 122.86 1sxs s VAL 98 Ca 0.07 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.49 1sxs s VAL 98 Cb -0.10 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1sxs s VAL 98 CO 0.04 0.29 -0.18 -0.62 0.00 0.00 0.00 175.10 174.63 1sxs s ASP 99 N 1.57 2.13 0.00 3.32 2.15 0.41 -4.93 116.67 121.31 1sxs s ASP 99 Ca 0.03 -0.33 0.23 0.00 0.43 0.00 0.00 52.55 52.90 1sxs s ASP 99 Cb -0.14 -0.33 0.12 0.00 -0.30 0.00 0.00 42.92 42.27 1sxs s ASP 99 CO -0.09 0.20 1.15 -0.81 -0.17 0.00 0.00 175.17 175.45 1sxs n PRO 100 N 2.76 0.16 -0.11 4.34 -0.04 -1.26 0.03 135.00 140.89 1sxs n PRO 100 Ca -0.16 -0.12 -0.25 0.00 -0.04 0.00 0.00 63.50 62.94 1sxs n PRO 100 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 1sxs n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1sxs n LEU 101 N -1.31 2.15 -4.76 1.53 4.77 -1.26 -4.77 117.00 113.34 1sxs n LEU 101 Ca 0.06 0.28 -0.36 0.00 -0.03 0.00 0.00 56.01 55.96 1sxs n LEU 101 Cb 0.35 -0.92 0.01 0.00 -2.33 0.00 0.00 43.42 40.53 1sxs n LEU 101 CO 0.38 0.57 0.84 0.27 -1.33 0.00 0.00 177.39 178.11 1sxs s ILE 102 N -2.47 2.85 0.09 -0.08 -4.36 -1.26 -4.91 121.20 111.07 1sxs s ILE 102 Ca -0.33 0.57 0.01 0.00 -0.26 0.00 0.00 60.65 60.64 1sxs s ILE 102 Cb 0.10 -3.25 -0.04 0.00 1.25 0.00 0.00 42.46 40.52 1sxs s ILE 102 CO 0.57 -0.08 -0.06 -0.55 0.24 0.00 0.00 174.94 175.06 1sxs s SER 103 N -1.51 1.07 0.00 4.36 0.15 -1.03 -4.44 113.70 112.30 1sxs s SER 103 Ca 0.72 -0.99 0.24 0.00 0.70 0.00 0.00 55.95 56.61 1sxs s SER 103 Cb -0.29 0.10 0.39 0.00 -1.71 0.00 0.00 66.02 64.51 1sxs s SER 103 CO 0.33 -0.47 1.38 0.18 1.20 0.00 0.00 173.24 175.87 1sxs n LEU 104 N 0.02 3.40 -3.43 3.45 4.77 -1.26 -0.88 117.00 123.08 1sxs n LEU 104 Ca -0.13 -1.41 -0.12 0.00 -0.03 0.00 0.00 56.01 54.32 1sxs n LEU 104 Cb 0.61 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 1sxs n LEU 104 CO 0.30 0.70 0.41 -0.94 -1.33 0.00 0.00 177.39 176.53 1sxs s SER 105 N -1.58 -0.57 0.00 -1.43 1.04 -1.26 -4.38 113.70 105.52 1sxs s SER 105 Ca 0.37 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1sxs s SER 105 Cb 0.22 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.94 1sxs s SER 105 CO 0.32 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1sxs n GLY 106 N -0.34 -1.87 0.36 7.32 0.00 -1.26 -4.02 105.19 105.38 1sxs n GLY 106 Ca -0.17 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.27 1sxs n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sxs h GLU 107 N 0.00 1.13 -0.80 1.61 4.39 -2.01 -1.80 114.58 117.10 1sxs h GLU 107 Ca 0.00 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1sxs h GLU 107 Cb 0.00 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.39 1sxs h GLU 107 CO 0.00 0.75 0.02 0.66 -1.16 0.00 0.00 179.01 179.29 1sxs n TYR 108 N -4.40 1.10 -1.92 4.33 4.01 -1.26 -4.93 117.16 114.09 1sxs n TYR 108 Ca 0.10 -0.43 -0.42 0.00 -0.16 0.00 0.00 57.90 56.99 1sxs n TYR 108 Cb 0.03 -0.33 -0.02 0.00 -0.31 0.00 0.00 39.34 38.70 1sxs n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sxs s SER 109 N -0.38 6.56 0.00 7.72 0.15 -0.68 -2.47 113.70 124.60 1sxs s SER 109 Ca 0.28 2.72 0.20 0.00 0.70 0.00 0.00 55.95 59.85 1sxs s SER 109 Cb 0.21 -2.61 0.37 0.00 -1.71 0.00 0.00 66.02 62.28 1sxs s SER 109 CO 0.08 -0.80 1.31 2.30 1.20 0.00 0.00 173.24 177.33 1sxs n ILE 110 N 2.91 0.53 -1.88 6.45 -5.35 -0.06 -4.92 119.36 117.05 1sxs n ILE 110 Ca 0.10 -0.76 -0.42 0.00 -0.27 0.00 0.00 62.75 61.40 1sxs n ILE 110 Cb 0.39 0.93 -0.02 0.00 -1.74 0.00 0.00 39.64 39.20 1sxs n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1sxs s ILE 111 N -1.32 2.35 0.00 7.28 -1.09 -1.26 -1.67 121.20 125.49 1sxs s ILE 111 Ca 0.33 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 1sxs s ILE 111 Cb 0.19 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 1sxs s ILE 111 CO 0.27 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 1sxs n GLY 112 N 2.54 0.78 3.88 6.18 0.00 0.91 -4.98 105.19 114.50 1sxs n GLY 112 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1sxs n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sxs s ARG 113 N -0.31 2.29 -0.14 1.61 0.52 -0.67 -2.30 118.95 119.94 1sxs s ARG 113 Ca 0.00 -1.95 -0.02 0.00 -0.52 0.00 0.00 55.73 53.24 1sxs s ARG 113 Cb 0.00 -2.11 -0.02 0.00 0.52 0.00 0.00 34.95 33.34 1sxs s ARG 113 CO 0.00 -0.51 -0.07 0.99 0.02 0.00 0.00 175.30 175.73 1sxs s THR 114 N -2.72 3.57 -0.13 0.02 2.01 -1.18 0.08 115.64 117.28 1sxs s THR 114 Ca 0.36 -0.48 -0.26 0.00 0.31 0.00 0.00 61.69 61.62 1sxs s THR 114 Cb -0.02 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 1sxs s THR 114 CO 0.22 0.51 0.86 -0.32 -0.69 0.00 0.00 174.62 175.20 1sxs s MET 115 N 0.30 4.36 -0.05 4.92 1.75 -0.59 -0.13 119.30 129.87 1sxs s MET 115 Ca -0.06 1.11 0.07 0.00 -1.25 0.00 0.00 55.69 55.55 1sxs s MET 115 Cb -0.15 -3.54 -0.01 0.00 2.84 0.00 0.00 34.83 33.97 1sxs s MET 115 CO 0.04 -0.25 -0.25 0.08 -0.65 0.00 0.00 175.02 173.99 1sxs s VAL 116 N 1.84 2.04 -0.19 10.11 1.01 0.91 -2.24 120.40 133.88 1sxs s VAL 116 Ca 0.41 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1sxs s VAL 116 Cb -0.17 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1sxs s VAL 116 CO 0.15 0.57 -0.03 0.54 0.00 0.00 0.00 175.10 176.34 1sxs s VAL 117 N -0.29 3.77 0.41 2.92 0.11 -0.78 -1.57 120.40 124.97 1sxs s VAL 117 Ca 0.00 -0.38 0.04 0.00 -2.93 0.00 0.00 61.98 58.71 1sxs s VAL 117 Cb -0.13 -2.69 0.00 0.00 -1.53 0.00 0.00 36.38 32.04 1sxs s VAL 117 CO 0.02 0.45 0.59 -1.00 -3.33 0.00 0.00 175.10 171.83 1sxs s HIS 118 N 0.90 3.08 0.04 1.54 3.76 0.51 -0.66 115.29 124.46 1sxs s HIS 118 Ca 0.00 -0.07 -0.26 0.00 -0.15 0.00 0.00 55.06 54.59 1sxs s HIS 118 Cb -0.14 -2.24 -0.17 0.00 1.11 0.00 0.00 32.58 31.13 1sxs s HIS 118 CO 0.02 -0.29 1.48 1.49 -0.85 0.00 0.00 174.74 176.59 1sxs h GLU 119 N 0.59 -0.25 -6.25 1.40 4.81 -0.92 -3.37 114.58 110.60 1sxs h GLU 119 Ca -0.45 0.02 -0.47 0.00 -0.13 0.00 0.00 59.36 58.33 1sxs h GLU 119 Cb 1.26 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 1sxs h GLU 119 CO 0.53 -0.02 -0.36 0.15 -0.73 0.00 0.00 179.01 178.58 1sxs s LYS 120 N -5.34 2.68 0.50 1.92 -0.14 -0.28 -4.84 119.74 114.25 1sxs s LYS 120 Ca -0.15 -1.38 -0.20 0.00 -1.36 0.00 0.00 55.97 52.88 1sxs s LYS 120 Cb 0.04 -2.52 -0.08 0.00 -1.68 0.00 0.00 37.83 33.59 1sxs s LYS 120 CO 0.62 -0.13 1.07 -2.14 -0.76 0.00 0.00 175.35 174.00 1sxs s PRO 121 N -4.16 3.67 -0.19 -1.68 0.02 -0.88 -1.25 135.00 130.53 1sxs s PRO 121 Ca 0.48 1.44 -0.29 0.00 0.02 0.00 0.00 61.00 62.65 1sxs s PRO 121 Cb -0.06 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1sxs s PRO 121 CO 0.29 -0.56 1.02 0.34 -0.33 0.00 0.00 177.00 177.77 1sxs s ASP 122 N -1.91 7.13 0.00 2.53 -1.08 -1.26 -3.91 116.67 118.17 1sxs s ASP 122 Ca 0.69 1.41 0.10 0.00 -0.52 0.00 0.00 52.55 54.23 1sxs s ASP 122 Cb -0.19 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.30 1sxs s ASP 122 CO 0.22 -0.60 1.21 -0.90 0.52 0.00 0.00 175.17 175.62 1sxs n ASP 123 N 5.93 0.00 -2.13 -0.34 5.68 0.11 -4.89 116.55 120.91 1sxs n ASP 123 Ca 0.11 -1.31 -0.14 0.00 -0.50 0.00 0.00 54.79 52.95 1sxs n ASP 123 Cb 0.47 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.43 1sxs n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sxs n LEU 124 N -0.69 -1.20 -0.24 -2.12 4.77 -1.26 -1.85 117.00 114.41 1sxs n LEU 124 Ca 0.07 0.21 -0.03 0.00 -0.03 0.00 0.00 56.01 56.23 1sxs n LEU 124 Cb 0.03 -2.22 -0.01 0.00 -2.33 0.00 0.00 43.42 38.89 1sxs n LEU 124 CO 0.05 -0.31 -0.03 0.61 -1.33 0.00 0.00 177.39 176.38 1sxs n GLY 125 N -0.67 0.63 1.50 -0.72 0.00 -1.21 -3.96 105.19 100.76 1sxs n GLY 125 Ca -0.16 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 1sxs n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxs n ARG 126 N -2.55 2.70 0.04 1.61 3.00 -0.77 -4.68 116.66 116.01 1sxs n ARG 126 Ca -0.03 -3.72 0.11 0.00 -0.01 0.00 0.00 57.85 54.20 1sxs n ARG 126 Cb 0.15 -2.02 -0.07 0.00 0.00 0.00 0.00 32.46 30.52 1sxs n ARG 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sxs n GLY 127 N -0.91 -1.21 2.15 -0.13 0.00 -1.26 -5.01 105.19 98.83 1sxs n GLY 127 Ca 0.36 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 1sxs n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sxs n GLY 128 N 1.26 0.43 3.46 -0.02 0.00 -1.26 -4.99 105.19 104.08 1sxs n GLY 128 Ca -0.01 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 1sxs n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxs s ASN 129 N -3.04 -0.60 0.13 1.61 2.20 -1.26 -5.05 114.94 108.93 1sxs s ASN 129 Ca 0.16 0.34 -0.18 0.00 -0.94 0.00 0.00 52.86 52.23 1sxs s ASN 129 Cb -0.07 0.56 -0.03 0.00 -2.00 0.00 0.00 41.25 39.71 1sxs s ASN 129 CO 0.19 -0.79 1.78 -0.08 -2.94 0.00 0.00 177.10 175.27 1sxs h GLU 130 N 2.51 0.33 -0.94 3.55 4.81 -2.01 -2.67 114.58 120.17 1sxs h GLU 130 Ca -0.31 -0.02 0.25 0.00 -0.13 0.00 0.00 59.36 59.15 1sxs h GLU 130 Cb 1.23 -0.07 -0.13 0.00 0.63 0.00 0.00 28.75 30.40 1sxs h GLU 130 CO 0.39 0.22 0.45 1.49 -0.73 0.00 0.00 179.01 180.82 1sxs h GLU 131 N 0.34 0.38 -0.44 1.92 4.57 -1.99 0.69 114.58 120.05 1sxs h GLU 131 Ca 0.10 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 1sxs h GLU 131 Cb -0.02 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 1sxs h GLU 131 CO -0.04 0.25 0.30 1.03 -1.18 0.00 0.00 179.01 179.37 1sxs h SER 132 N 0.39 0.34 0.42 1.04 0.87 -1.82 0.14 113.55 114.93 1sxs h SER 132 Ca 0.61 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.17 1sxs h SER 132 Cb 1.22 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1sxs h SER 132 CO -0.55 0.23 -0.10 0.35 -0.53 0.00 0.00 176.83 176.23 1sxs n THR 133 N -4.48 0.00 -0.08 2.23 -2.24 0.24 -1.99 114.28 107.96 1sxs n THR 133 Ca 0.05 -0.05 -0.17 0.00 -2.27 0.00 0.00 64.05 61.62 1sxs n THR 133 Cb 0.22 -0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.22 1sxs n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sxs n LYS 134 N -1.04 0.37 0.00 -0.78 5.02 -0.20 -0.62 118.16 120.91 1sxs n LYS 134 Ca 0.14 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1sxs n LYS 134 Cb 0.27 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1sxs n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sxs n THR 135 N -3.58 0.04 -1.16 -0.18 -2.24 0.32 -4.55 114.28 102.93 1sxs n THR 135 Ca -0.33 -0.26 -0.06 0.00 -2.27 0.00 0.00 64.05 61.14 1sxs n THR 135 Cb 0.75 1.45 -0.02 0.00 -2.10 0.00 0.00 70.33 70.41 1sxs n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sxs n GLY 136 N -0.02 0.79 3.28 3.38 0.00 -0.84 -3.16 105.19 108.63 1sxs n GLY 136 Ca 0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 1sxs n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sxs n ASN 137 N 0.53 -4.01 0.00 1.61 3.02 -1.26 0.08 115.26 115.24 1sxs n ASN 137 Ca -0.06 -0.35 0.12 0.00 -0.03 0.00 0.00 54.58 54.26 1sxs n ASN 137 Cb 0.22 -3.31 0.68 0.00 -0.61 0.00 0.00 39.78 36.77 1sxs n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sxs n ALA 138 N -3.47 2.34 -0.89 5.41 0.00 -1.19 -4.74 120.51 117.97 1sxs n ALA 138 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1sxs n ALA 138 Cb 0.55 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1sxs n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxs n GLY 139 N 0.65 0.78 3.51 0.00 0.00 -1.26 -1.12 105.19 107.74 1sxs n GLY 139 Ca 0.15 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 1sxs n GLY 139 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sxs n SER 140 N -2.61 -0.80 -4.55 1.61 3.41 -1.26 -4.58 113.62 104.84 1sxs n SER 140 Ca 0.00 0.56 -0.41 0.00 -0.26 0.00 0.00 58.87 58.76 1sxs n SER 140 Cb 0.00 -1.28 -0.09 0.00 -0.26 0.00 0.00 64.21 62.58 1sxs n SER 140 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1sxs s ARG 141 N -3.15 3.59 -0.07 4.33 0.52 -1.26 -0.84 118.95 122.08 1sxs s ARG 141 Ca 0.66 -0.34 -0.21 0.00 -0.52 0.00 0.00 55.73 55.33 1sxs s ARG 141 Cb -0.32 -3.80 -0.30 0.00 0.52 0.00 0.00 34.95 31.05 1sxs s ARG 141 CO 0.57 -0.55 0.80 -0.07 0.02 0.00 0.00 175.30 176.08 1sxs h LEU 142 N 8.83 0.41 -7.81 2.53 3.38 -1.19 -3.48 115.31 117.98 1sxs h LEU 142 Ca -0.29 -0.93 -0.13 0.00 0.09 0.00 0.00 57.88 56.62 1sxs h LEU 142 Cb 1.14 -0.13 -0.19 0.00 0.09 0.00 0.00 40.66 41.57 1sxs h LEU 142 CO 0.71 1.42 -0.48 0.00 0.09 0.00 0.00 178.44 180.18 1sxs s ALA 143 N -2.42 -0.23 0.20 1.53 0.00 -1.24 -4.02 121.76 115.58 1sxs s ALA 143 Ca -0.16 -0.33 -0.21 0.00 0.00 0.00 0.00 51.96 51.26 1sxs s ALA 143 Cb 0.01 0.20 0.05 0.00 0.00 0.00 0.00 23.12 23.38 1sxs s ALA 143 CO 0.80 -0.28 0.62 0.00 0.00 0.00 0.00 175.76 176.90 1sxs s GLY 145 N -2.82 -0.56 0.17 0.00 0.00 -0.95 -1.84 107.32 101.32 1sxs s GLY 145 Ca 0.05 0.74 -0.27 0.00 0.00 0.00 0.00 44.72 45.24 1sxs s GLY 145 CO -0.05 0.41 0.84 0.14 0.00 0.00 0.00 173.10 174.44 1sxs s VAL 146 N -2.73 4.33 -0.23 1.40 1.01 -1.26 -1.55 120.40 121.38 1sxs s VAL 146 Ca -0.04 1.85 -0.24 0.00 0.00 0.00 0.00 61.98 63.55 1sxs s VAL 146 Cb -0.01 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1sxs s VAL 146 CO -0.04 0.48 0.81 -0.63 0.00 0.00 0.00 175.10 175.72 1sxs s ILE 147 N -0.93 4.86 0.30 2.22 1.01 0.11 -4.51 121.20 124.26 1sxs s ILE 147 Ca 0.39 1.54 0.10 0.00 0.00 0.00 0.00 60.65 62.67 1sxs s ILE 147 Cb -0.24 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 1sxs s ILE 147 CO 0.28 -0.05 -0.04 -0.83 0.00 0.00 0.00 174.94 174.30 1sxs s GLY 148 N 1.32 1.85 0.18 6.18 0.00 -0.17 -0.06 107.32 116.61 1sxs s GLY 148 Ca 0.35 -1.81 -0.31 0.00 0.00 0.00 0.00 44.72 42.95 1sxs s GLY 148 CO 0.08 -1.84 1.38 -0.42 0.00 0.00 0.00 173.10 172.30 1sxs s ILE 149 N -2.44 3.10 0.22 0.90 1.01 -1.26 -0.95 121.20 121.78 1sxs s ILE 149 Ca 0.32 0.86 0.11 0.00 0.00 0.00 0.00 60.65 61.95 1sxs s ILE 149 Cb -0.04 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 1sxs s ILE 149 CO 0.19 0.11 -0.21 0.00 0.00 0.00 0.00 174.94 175.03 1sxs s ALA 150 N 0.48 2.66 -2.00 9.38 0.00 -0.75 -4.77 121.76 126.77 1sxs s ALA 150 Ca 0.61 -1.68 0.08 0.00 0.00 0.00 0.00 51.96 50.96 1sxs s ALA 150 Cb -0.38 -0.37 0.49 0.00 0.00 0.00 0.00 23.12 22.86 1sxs s ALA 150 CO 0.36 0.39 0.95 1.17 0.00 0.00 0.00 175.76 178.63