#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxc n THR 2 N 0.00 0.00 -3.83 0.00 -2.24 -1.26 -4.68 114.28 102.27 1sxc n THR 2 Ca 0.00 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 1sxc n THR 2 Cb 0.00 0.99 -0.13 0.00 -2.10 0.00 0.00 70.33 69.09 1sxc n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sxc s LYS 3 N -1.64 0.12 0.12 -0.78 1.02 -1.26 -0.98 119.74 116.34 1sxc s LYS 3 Ca 0.02 0.15 -0.00 0.00 0.02 0.00 0.00 55.97 56.16 1sxc s LYS 3 Cb 0.05 0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 1sxc s LYS 3 CO 0.27 -0.02 0.01 0.00 -0.92 0.00 0.00 175.35 174.70 1sxc s ALA 4 N 0.07 0.91 0.04 5.17 0.00 -0.05 -1.37 121.76 126.53 1sxc s ALA 4 Ca -0.00 -1.43 -0.10 0.00 0.00 0.00 0.00 51.96 50.43 1sxc s ALA 4 Cb -0.01 0.58 0.01 0.00 0.00 0.00 0.00 23.12 23.70 1sxc s ALA 4 CO 0.00 -0.39 0.22 0.54 0.00 0.00 0.00 175.76 176.12 1sxc s VAL 5 N -3.88 0.11 -0.10 0.00 0.11 0.11 -1.23 120.40 115.51 1sxc s VAL 5 Ca 0.19 -0.87 -0.05 0.00 -2.93 0.00 0.00 61.98 58.32 1sxc s VAL 5 Cb 0.07 -0.95 0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1sxc s VAL 5 CO -0.01 -0.48 0.23 0.00 -3.33 0.00 0.00 175.10 171.51 1sxc s VAL 7 N 1.15 3.96 -0.11 0.00 1.01 -1.26 -0.98 120.40 124.18 1sxc s VAL 7 Ca -0.09 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 1sxc s VAL 7 Cb -0.10 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1sxc s VAL 7 CO -0.07 0.38 0.37 -0.76 0.00 0.00 0.00 175.10 175.01 1sxc s LEU 8 N 1.45 4.32 0.02 3.92 1.43 0.13 -4.02 118.68 125.93 1sxc s LEU 8 Ca 0.05 0.71 -0.10 0.00 -1.03 0.00 0.00 54.13 53.76 1sxc s LEU 8 Cb -0.15 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.58 1sxc s LEU 8 CO 0.01 0.15 0.19 -0.54 0.23 0.00 0.00 176.35 176.39 1sxc s LYS 9 N 0.04 0.63 0.00 1.70 1.02 -0.63 -2.12 119.74 120.37 1sxc s LYS 9 Ca 0.21 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.69 1sxc s LYS 9 Cb -0.14 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 1sxc s LYS 9 CO 0.08 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1sxc n GLY 10 N 0.98 3.54 0.21 -3.33 0.00 -1.25 -1.43 105.19 103.91 1sxc n GLY 10 Ca -0.20 -1.09 0.10 0.00 0.00 0.00 0.00 46.02 44.83 1sxc n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sxc h ASP 11 N 0.00 0.00 -0.27 1.61 3.32 -1.92 -3.46 116.42 115.69 1sxc h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sxc h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sxc h ASP 11 CO 0.00 0.16 0.00 0.61 -1.72 0.00 0.00 179.24 178.29 1sxc n GLY 12 N 0.84 2.20 0.04 2.75 0.00 -1.26 -5.00 105.19 104.76 1sxc n GLY 12 Ca 0.02 -1.91 0.14 0.00 0.00 0.00 0.00 46.02 44.27 1sxc n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxc n PRO 13 N 0.00 0.38 -2.33 1.61 -0.04 -1.26 -4.89 135.00 128.47 1sxc n PRO 13 Ca 0.00 -0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 62.97 1sxc n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1sxc n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sxc s VAL 14 N -2.67 3.94 0.13 0.52 1.01 -1.26 -4.45 120.40 117.62 1sxc s VAL 14 Ca 0.24 1.30 -0.12 0.00 0.00 0.00 0.00 61.98 63.40 1sxc s VAL 14 Cb 0.20 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1sxc s VAL 14 CO 0.50 0.00 0.32 0.00 0.00 0.00 0.00 175.10 175.92 1sxc s GLN 15 N 2.26 1.05 0.00 2.72 -2.07 -0.95 -3.80 119.66 118.86 1sxc s GLN 15 Ca 0.60 -0.91 0.00 0.00 -1.82 0.00 0.00 55.36 53.23 1sxc s GLN 15 Cb -0.29 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.05 1sxc s GLN 15 CO 0.25 -0.39 0.00 0.41 -1.32 0.00 0.00 175.29 174.24 1sxc n GLY 16 N -0.18 0.01 2.94 2.60 0.00 -0.90 -0.75 105.19 108.92 1sxc n GLY 16 Ca -0.13 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.77 1sxc n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sxc s THR 17 N -2.00 0.89 -0.08 2.61 2.01 -1.05 0.20 115.64 118.22 1sxc s THR 17 Ca 0.00 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 61.74 1sxc s THR 17 Cb 0.00 -0.87 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 1sxc s THR 17 CO 0.00 0.32 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.42 1sxc s ILE 18 N 1.06 2.54 0.11 1.82 -1.09 -0.15 -2.79 121.20 122.70 1sxc s ILE 18 Ca -0.08 -0.88 0.06 0.00 -2.23 0.00 0.00 60.65 57.53 1sxc s ILE 18 Cb -0.14 -1.99 -0.04 0.00 -1.58 0.00 0.00 42.46 38.70 1sxc s ILE 18 CO -0.01 0.56 -0.05 -1.00 -1.23 0.00 0.00 174.94 173.21 1sxc s HIS 19 N -0.04 2.83 -0.03 3.97 3.76 0.59 -1.15 115.29 125.23 1sxc s HIS 19 Ca -0.05 -0.12 0.04 0.00 -0.15 0.00 0.00 55.06 54.78 1sxc s HIS 19 Cb -0.14 -1.45 -0.00 0.00 1.11 0.00 0.00 32.58 32.09 1sxc s HIS 19 CO 0.05 0.46 -0.14 -0.06 -0.85 0.00 0.00 174.74 174.20 1sxc s PHE 20 N -1.34 1.35 -0.07 1.40 0.40 -0.36 -1.23 117.98 118.12 1sxc s PHE 20 Ca 0.24 -0.32 -0.03 0.00 -0.60 0.00 0.00 56.93 56.21 1sxc s PHE 20 Cb -0.11 -0.90 0.04 0.00 0.51 0.00 0.00 43.02 42.56 1sxc s PHE 20 CO 0.16 -0.09 0.16 -2.00 0.70 0.00 0.00 175.22 174.14 1sxc s GLU 21 N -0.07 0.09 -0.35 0.44 2.12 -0.68 -0.88 118.70 119.37 1sxc s GLU 21 Ca 0.00 0.42 -0.29 0.00 0.36 0.00 0.00 54.97 55.46 1sxc s GLU 21 Cb -0.08 -0.19 0.02 0.00 0.26 0.00 0.00 34.13 34.13 1sxc s GLU 21 CO 0.01 -0.19 1.13 0.00 -0.54 0.00 0.00 175.26 175.66 1sxc s ALA 22 N 1.40 3.41 -0.28 6.30 0.00 -0.16 -1.32 121.76 131.12 1sxc s ALA 22 Ca -0.07 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 51.81 1sxc s ALA 22 Cb -0.12 -3.73 0.07 0.00 0.00 0.00 0.00 23.12 19.34 1sxc s ALA 22 CO -0.06 -1.68 -0.03 0.15 0.00 0.00 0.00 175.76 174.14 1sxc s LYS 23 N 3.89 1.69 7.03 0.00 1.02 -0.80 -4.98 119.74 127.58 1sxc s LYS 23 Ca 0.48 -1.35 0.00 0.00 0.02 0.00 0.00 55.97 55.12 1sxc s LYS 23 Cb -0.12 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 1sxc s LYS 23 CO 0.20 -0.71 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 1sxc n GLY 24 N 4.50 1.96 1.20 -3.33 0.00 -1.26 -2.22 105.19 106.05 1sxc n GLY 24 Ca -0.07 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.66 1sxc n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sxc n ASP 25 N 6.37 3.52 -4.67 1.61 8.00 -1.26 -4.97 116.55 125.15 1sxc n ASP 25 Ca 0.00 -1.99 -0.32 0.00 0.71 0.00 0.00 54.79 53.19 1sxc n ASP 25 Cb 0.00 -0.38 -0.08 0.00 -0.02 0.00 0.00 41.12 40.64 1sxc n ASP 25 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1sxc s THR 26 N -1.23 1.05 -0.10 -3.53 -1.32 -0.94 -5.03 115.64 104.54 1sxc s THR 26 Ca 0.43 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.94 1sxc s THR 26 Cb 0.23 -2.16 0.01 0.00 -1.51 0.00 0.00 72.50 69.07 1sxc s THR 26 CO 0.31 0.00 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.84 1sxc s VAL 27 N -2.93 1.75 -0.23 5.08 1.01 -1.23 -1.91 120.40 121.94 1sxc s VAL 27 Ca 0.07 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 1sxc s VAL 27 Cb 0.01 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1sxc s VAL 27 CO 0.04 0.49 0.13 -0.69 0.00 0.00 0.00 175.10 175.07 1sxc s VAL 28 N 0.60 5.16 -0.21 2.92 1.01 -0.43 -1.83 120.40 127.63 1sxc s VAL 28 Ca -0.14 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 1sxc s VAL 28 Cb -0.17 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 1sxc s VAL 28 CO 0.04 0.37 -0.04 -0.69 0.00 0.00 0.00 175.10 174.78 1sxc s VAL 29 N 0.92 3.43 0.19 2.92 1.01 0.51 -1.69 120.40 127.70 1sxc s VAL 29 Ca 0.07 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1sxc s VAL 29 Cb -0.13 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1sxc s VAL 29 CO 0.03 0.43 0.02 0.42 0.00 0.00 0.00 175.10 176.00 1sxc s THR 30 N 1.33 0.70 -5.00 3.92 -4.23 -0.37 -1.08 115.64 110.92 1sxc s THR 30 Ca 0.04 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1sxc s THR 30 Cb -0.14 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1sxc s THR 30 CO -0.02 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 1sxc n GLY 31 N -0.30 0.29 3.42 3.99 0.00 -1.06 -0.30 105.19 111.23 1sxc n GLY 31 Ca -0.05 -1.57 -0.15 0.00 0.00 0.00 0.00 46.02 44.26 1sxc n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxc s SER 32 N -4.00 -0.49 -0.03 1.61 1.04 -1.12 -1.57 113.70 109.14 1sxc s SER 32 Ca 0.00 0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.71 1sxc s SER 32 Cb 0.00 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1sxc s SER 32 CO 0.00 -0.71 -0.03 -0.63 0.98 0.00 0.00 173.24 172.85 1sxc s ILE 33 N -2.27 0.33 0.39 -1.02 1.01 0.09 -2.52 121.20 117.20 1sxc s ILE 33 Ca -0.06 -0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.61 1sxc s ILE 33 Cb -0.01 -0.36 -0.07 0.00 0.01 0.00 0.00 42.46 42.04 1sxc s ILE 33 CO -0.00 0.15 0.05 0.42 0.00 0.00 0.00 174.94 175.56 1sxc s THR 34 N 0.63 2.24 0.00 2.92 -4.23 0.07 -0.05 115.64 117.22 1sxc s THR 34 Ca -0.07 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1sxc s THR 34 Cb -0.10 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1sxc s THR 34 CO -0.01 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1sxc n GLY 35 N -1.03 0.56 3.92 3.99 0.00 -0.98 -2.24 105.19 109.41 1sxc n GLY 35 Ca -0.04 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1sxc n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxc s LEU 36 N 0.00 3.90 0.48 0.99 1.43 -0.50 -4.35 118.68 120.63 1sxc s LEU 36 Ca 0.00 0.71 -0.20 0.00 -1.03 0.00 0.00 54.13 53.61 1sxc s LEU 36 Cb 0.00 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.54 1sxc s LEU 36 CO 0.00 -0.36 1.01 0.42 0.23 0.00 0.00 176.35 177.65 1sxc s THR 37 N -2.38 4.04 0.51 5.49 -4.23 -1.26 -3.77 115.64 114.04 1sxc s THR 37 Ca 0.44 1.22 -0.22 0.00 -1.18 0.00 0.00 61.69 61.96 1sxc s THR 37 Cb -0.10 -3.51 -0.07 0.00 1.34 0.00 0.00 72.50 70.16 1sxc s THR 37 CO 0.37 -0.32 1.13 1.21 -0.54 0.00 0.00 174.62 176.47 1sxc n GLU 38 N -0.98 1.39 0.00 3.99 2.13 -1.26 -4.55 120.64 121.36 1sxc n GLU 38 Ca 0.08 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.42 1sxc n GLU 38 Cb 0.53 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.96 1sxc n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sxc n GLY 39 N 1.04 -1.17 3.77 8.31 0.00 0.25 -4.85 105.19 112.53 1sxc n GLY 39 Ca 0.11 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 1sxc n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxc s ASP 40 N -3.49 7.25 -0.01 1.61 1.01 -1.26 0.46 116.67 122.24 1sxc s ASP 40 Ca 0.00 2.02 0.00 0.00 0.71 0.00 0.00 52.55 55.28 1sxc s ASP 40 Cb 0.00 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.35 1sxc s ASP 40 CO 0.00 -0.14 0.00 -1.00 0.21 0.00 0.00 175.17 174.24 1sxc s HIS 41 N -1.42 0.16 0.37 4.23 3.76 0.07 -2.95 115.29 119.51 1sxc s HIS 41 Ca 0.49 0.02 -0.28 0.00 -0.15 0.00 0.00 55.06 55.14 1sxc s HIS 41 Cb -0.24 -0.23 -0.11 0.00 1.11 0.00 0.00 32.58 33.11 1sxc s HIS 41 CO 0.31 -0.06 1.45 0.41 -0.85 0.00 0.00 174.74 175.99 1sxc n GLY 42 N 3.69 1.07 2.66 -2.22 0.00 -0.48 -1.65 105.19 108.25 1sxc n GLY 42 Ca -0.21 0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1sxc n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sxc s PHE 43 N -1.06 0.80 0.08 1.61 5.36 -0.21 -0.94 117.98 123.63 1sxc s PHE 43 Ca 0.54 -0.93 0.00 0.00 -0.96 0.00 0.00 56.93 55.59 1sxc s PHE 43 Cb -0.50 -1.06 -0.04 0.00 -0.34 0.00 0.00 43.02 41.08 1sxc s PHE 43 CO 0.63 -0.70 -0.04 -1.01 -1.46 0.00 0.00 175.22 172.63 1sxc s HIS 44 N 1.93 0.72 -0.27 10.12 3.76 -0.86 -2.72 115.29 127.97 1sxc s HIS 44 Ca 0.04 -1.00 -0.14 0.00 -0.15 0.00 0.00 55.06 53.81 1sxc s HIS 44 Cb -0.17 -0.46 -0.04 0.00 1.11 0.00 0.00 32.58 33.03 1sxc s HIS 44 CO -0.20 -0.28 0.34 0.08 -0.85 0.00 0.00 174.74 173.84 1sxc s VAL 45 N -3.79 5.20 0.23 -0.90 1.01 -0.15 -0.85 120.40 121.16 1sxc s VAL 45 Ca 0.10 0.50 -0.06 0.00 0.00 0.00 0.00 61.98 62.52 1sxc s VAL 45 Cb 0.07 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 1sxc s VAL 45 CO -0.07 0.18 0.50 -1.00 0.00 0.00 0.00 175.10 174.71 1sxc s HIS 46 N 1.97 3.46 0.14 5.22 3.76 0.11 -1.59 115.29 128.36 1sxc s HIS 46 Ca 0.14 0.69 -0.17 0.00 -0.15 0.00 0.00 55.06 55.56 1sxc s HIS 46 Cb -0.16 -2.12 -0.01 0.00 1.11 0.00 0.00 32.58 31.41 1sxc s HIS 46 CO 0.10 0.28 1.76 0.37 -0.85 0.00 0.00 174.74 176.39 1sxc h GLN 47 N 2.25 0.51 -5.72 1.40 4.15 -0.88 -2.71 115.11 114.11 1sxc h GLN 47 Ca -0.47 -0.05 -0.67 0.00 0.77 0.00 0.00 58.65 58.23 1sxc h GLN 47 Cb 1.18 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 28.68 1sxc h GLN 47 CO 0.69 0.40 -0.50 -0.06 -1.93 0.00 0.00 178.83 177.42 1sxc s PHE 48 N -5.94 3.52 -0.63 3.99 0.08 -0.12 -4.66 117.98 114.21 1sxc s PHE 48 Ca -0.13 0.45 -0.03 0.00 0.12 0.00 0.00 56.93 57.33 1sxc s PHE 48 Cb 0.10 -1.89 0.18 0.00 -0.57 0.00 0.00 43.02 40.84 1sxc s PHE 48 CO 0.73 0.68 2.46 0.41 -0.10 0.00 0.00 175.22 179.40 1sxc n GLY 49 N 1.80 4.85 3.24 4.36 0.00 -1.00 -3.53 105.19 114.92 1sxc n GLY 49 Ca -0.18 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.33 1sxc n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sxc s ASP 50 N -0.24 5.28 -0.21 1.61 -1.08 -1.26 -4.95 116.67 115.81 1sxc s ASP 50 Ca 0.56 -1.29 0.15 0.00 -0.52 0.00 0.00 52.55 51.45 1sxc s ASP 50 Cb 0.40 -1.85 0.66 0.00 -1.46 0.00 0.00 42.92 40.66 1sxc s ASP 50 CO -0.30 -0.36 1.57 0.59 0.52 0.00 0.00 175.17 177.19 1sxc n ASN 51 N 4.77 4.63 0.19 -0.34 4.13 -1.26 -2.81 115.26 124.57 1sxc n ASN 51 Ca -0.11 -3.02 0.06 0.00 1.68 0.00 0.00 54.58 53.18 1sxc n ASN 51 Cb 0.44 -0.61 0.52 0.00 -1.54 0.00 0.00 39.78 38.59 1sxc n ASN 51 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1sxc h THR 52 N 2.67 1.08 -1.66 3.41 1.35 -1.93 -2.64 112.91 115.20 1sxc h THR 52 Ca 0.02 -0.35 -0.61 0.00 -0.55 0.00 0.00 66.41 64.92 1sxc h THR 52 Cb 1.71 1.06 -0.40 0.00 -1.73 0.00 0.00 68.15 68.79 1sxc h THR 52 CO 0.36 0.11 -0.51 0.00 -0.25 0.00 0.00 175.52 175.23 1sxc n GLN 53 N -4.42 3.37 0.00 4.72 6.02 -1.26 -5.05 117.38 120.76 1sxc n GLN 53 Ca -0.02 -4.45 0.00 0.00 -0.01 0.00 0.00 57.00 52.53 1sxc n GLN 53 Cb 0.16 -2.25 0.00 0.00 1.02 0.00 0.00 30.24 29.17 1sxc n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sxc n GLY 54 N -0.46 0.97 0.13 1.08 0.00 -1.00 -2.88 105.19 103.03 1sxc n GLY 54 Ca 0.40 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.86 1sxc n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxc h THR 56 N 0.00 1.24 0.00 0.00 2.02 -1.85 -2.60 112.91 111.71 1sxc h THR 56 Ca 0.00 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1sxc h THR 56 Cb 0.48 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1sxc h THR 56 CO 0.00 0.26 0.00 -1.54 0.37 0.00 0.00 175.52 174.61 1sxc n SER 57 N -4.42 0.00 0.22 4.18 3.41 -1.24 -3.08 113.62 112.70 1sxc n SER 57 Ca 0.08 -0.57 0.16 0.00 -0.26 0.00 0.00 58.87 58.28 1sxc n SER 57 Cb 0.09 -0.07 0.71 0.00 -0.26 0.00 0.00 64.21 64.68 1sxc n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sxc h ALA 58 N 3.38 1.00 0.00 7.33 0.00 -1.29 -3.40 119.26 126.28 1sxc h ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sxc h ALA 58 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1sxc h ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1sxc n GLY 59 N -0.40 -1.82 0.51 0.00 0.00 -1.18 -0.95 105.19 101.36 1sxc n GLY 59 Ca 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 44.58 1sxc n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxc n PRO 60 N 0.00 0.04 -2.35 1.61 -0.04 -1.26 -4.62 135.00 128.38 1sxc n PRO 60 Ca 0.00 -0.30 -0.38 0.00 -0.04 0.00 0.00 63.50 62.78 1sxc n PRO 60 Cb 0.00 -0.15 -0.03 0.00 -0.04 0.00 0.00 33.50 33.28 1sxc n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sxc s HIS 61 N -1.02 3.15 0.05 0.54 3.76 -1.26 -0.73 115.29 119.78 1sxc s HIS 61 Ca 0.10 1.58 -0.30 0.00 -0.15 0.00 0.00 55.06 56.28 1sxc s HIS 61 Cb -0.00 -3.35 -0.09 0.00 1.11 0.00 0.00 32.58 30.25 1sxc s HIS 61 CO 0.07 -1.14 1.96 0.12 -0.85 0.00 0.00 174.74 174.89 1sxc s PHE 62 N -1.42 1.38 -0.44 1.40 5.36 -0.62 -4.54 117.98 119.11 1sxc s PHE 62 Ca 0.56 -0.42 0.07 0.00 -0.96 0.00 0.00 56.93 56.18 1sxc s PHE 62 Cb -0.30 -4.24 0.26 0.00 -0.34 0.00 0.00 43.02 38.40 1sxc s PHE 62 CO 0.37 -5.52 0.73 -1.71 -1.46 0.00 0.00 175.22 167.64 1sxc n ASN 63 N 7.32 -1.28 0.30 6.13 5.15 -1.26 -1.47 115.26 130.15 1sxc n ASN 63 Ca 0.20 -3.05 0.19 0.00 -0.60 0.00 0.00 54.58 51.32 1sxc n ASN 63 Cb 0.41 0.60 0.87 0.00 -0.53 0.00 0.00 39.78 41.12 1sxc n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1sxc h PRO 64 N 3.87 0.00 -0.30 1.20 0.13 -1.95 -2.68 132.00 132.27 1sxc h PRO 64 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1sxc h PRO 64 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1sxc h PRO 64 CO 0.38 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 179.44 1sxc n LEU 65 N -3.12 2.80 -3.71 1.56 4.77 -1.26 -4.99 117.00 113.06 1sxc n LEU 65 Ca -0.01 -1.19 -0.24 0.00 -0.03 0.00 0.00 56.01 54.54 1sxc n LEU 65 Cb 0.23 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1sxc n LEU 65 CO 0.25 0.59 -0.10 -1.20 -1.33 0.00 0.00 177.39 175.61 1sxc n SER 66 N 1.07 -2.53 -4.94 -1.43 7.64 -1.01 -5.03 113.62 107.39 1sxc n SER 66 Ca 0.18 -0.90 -0.24 0.00 1.01 0.00 0.00 58.87 58.92 1sxc n SER 66 Cb 0.51 -3.76 0.01 0.00 -1.01 0.00 0.00 64.21 59.96 1sxc n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1sxc s LYS 67 N -5.97 2.30 0.50 1.43 1.02 -1.26 -5.13 119.74 112.63 1sxc s LYS 67 Ca 0.17 -1.85 -0.00 0.00 0.02 0.00 0.00 55.97 54.30 1sxc s LYS 67 Cb -0.05 -2.30 0.01 0.00 -0.52 0.00 0.00 37.83 34.97 1sxc s LYS 67 CO 0.84 -0.65 0.73 0.15 -0.92 0.00 0.00 175.35 175.50 1sxc s LYS 68 N -4.38 2.89 0.53 1.68 1.02 -1.26 -4.77 119.74 115.44 1sxc s LYS 68 Ca 0.44 -0.50 -0.20 0.00 0.02 0.00 0.00 55.97 55.73 1sxc s LYS 68 Cb -0.03 -2.50 -0.06 0.00 -0.52 0.00 0.00 37.83 34.72 1sxc s LYS 68 CO 0.27 -0.46 1.13 -1.58 -0.92 0.00 0.00 175.35 173.80 1sxc s HIS 69 N -2.68 2.71 0.03 3.18 5.65 -0.33 -3.32 115.29 120.53 1sxc s HIS 69 Ca 0.52 1.54 -0.01 0.00 0.25 0.00 0.00 55.06 57.36 1sxc s HIS 69 Cb -0.10 -3.30 0.00 0.00 -1.18 0.00 0.00 32.58 28.00 1sxc s HIS 69 CO 0.39 -1.54 0.05 0.41 -0.65 0.00 0.00 174.74 173.40 1sxc n GLY 70 N 0.20 2.03 3.93 1.59 0.00 -1.25 -4.31 105.19 107.38 1sxc n GLY 70 Ca 0.11 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 1sxc n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sxc s GLY 71 N -1.15 1.59 0.51 -0.02 0.00 -1.22 -4.61 107.32 102.42 1sxc s GLY 71 Ca 0.01 -0.83 0.22 0.00 0.00 0.00 0.00 44.72 44.12 1sxc s GLY 71 CO 0.01 -0.59 2.01 -0.56 0.00 0.00 0.00 173.10 173.96 1sxc h PRO 72 N 0.05 0.09 -0.01 2.90 0.13 -1.89 -1.68 132.00 131.58 1sxc h PRO 72 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1sxc h PRO 72 Cb 1.25 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1sxc h PRO 72 CO 0.59 0.06 -0.17 1.63 -0.23 0.00 0.00 178.00 179.88 1sxc n LYS 73 N -4.42 1.04 -2.48 0.86 5.02 -1.26 -4.91 118.16 112.02 1sxc n LYS 73 Ca 0.09 -0.57 -0.28 0.00 -2.02 0.00 0.00 58.31 55.52 1sxc n LYS 73 Cb 0.51 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1sxc n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sxc s ASP 74 N -2.36 6.18 0.04 4.39 1.01 -0.63 -4.97 116.67 120.32 1sxc s ASP 74 Ca 0.29 0.99 -0.17 0.00 0.71 0.00 0.00 52.55 54.36 1sxc s ASP 74 Cb 0.20 -2.22 -0.24 0.00 1.01 0.00 0.00 42.92 41.67 1sxc s ASP 74 CO 0.46 -0.69 1.13 -0.08 0.21 0.00 0.00 175.17 176.21 1sxc h GLU 75 N 0.08 0.54 -4.84 8.23 4.57 -1.91 -3.39 114.58 117.87 1sxc h GLU 75 Ca -0.46 -0.59 -0.69 0.00 -1.18 0.00 0.00 59.36 56.43 1sxc h GLU 75 Cb 1.21 0.17 -0.19 0.00 -0.16 0.00 0.00 28.75 29.78 1sxc h GLU 75 CO 0.62 1.21 0.14 -2.00 -1.18 0.00 0.00 179.01 177.80 1sxc s GLU 76 N -3.23 3.07 0.17 1.92 2.56 -1.26 -4.96 118.70 116.97 1sxc s GLU 76 Ca -0.12 -1.15 -0.20 0.00 0.00 0.00 0.00 54.97 53.50 1sxc s GLU 76 Cb 0.05 -4.22 0.05 0.00 2.00 0.00 0.00 34.13 32.01 1sxc s GLU 76 CO 0.87 -1.49 0.54 -0.98 -0.56 0.00 0.00 175.26 173.65 1sxc s ARG 77 N 2.82 1.30 0.48 4.30 1.70 -1.21 -3.78 118.95 124.56 1sxc s ARG 77 Ca 0.14 -0.68 -0.09 0.00 -0.47 0.00 0.00 55.73 54.63 1sxc s ARG 77 Cb -0.22 0.55 -0.05 0.00 -0.57 0.00 0.00 34.95 34.65 1sxc s ARG 77 CO 0.08 -0.56 0.84 -1.01 -1.08 0.00 0.00 175.30 173.58 1sxc s HIS 78 N -3.81 3.53 0.43 5.89 3.76 -1.23 -4.62 115.29 119.23 1sxc s HIS 78 Ca 0.05 1.05 0.09 0.00 -0.15 0.00 0.00 55.06 56.09 1sxc s HIS 78 Cb -0.01 -2.48 0.92 0.00 1.11 0.00 0.00 32.58 32.13 1sxc s HIS 78 CO -0.08 -0.30 2.07 0.28 -0.85 0.00 0.00 174.74 175.86 1sxc h VAL 79 N 0.52 1.08 0.00 -0.90 2.07 -1.84 -1.91 116.25 115.26 1sxc h VAL 79 Ca -0.46 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1sxc h VAL 79 Cb 1.19 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1sxc h VAL 79 CO 0.62 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.91 1sxc n GLY 80 N -1.49 -0.94 3.55 2.17 0.00 -0.54 -4.54 105.19 103.40 1sxc n GLY 80 Ca 0.03 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1sxc n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxc s ASP 81 N -2.34 6.12 -0.21 1.61 1.01 -0.72 -0.98 116.67 121.15 1sxc s ASP 81 Ca 0.28 -0.77 0.15 0.00 0.71 0.00 0.00 52.55 52.92 1sxc s ASP 81 Cb 0.16 -2.56 0.81 0.00 1.01 0.00 0.00 42.92 42.34 1sxc s ASP 81 CO 0.33 -1.84 1.73 0.18 0.21 0.00 0.00 175.17 175.78 1sxc n LEU 82 N 9.91 5.57 0.00 1.23 4.77 -1.10 -3.80 117.00 133.57 1sxc n LEU 82 Ca 0.19 -2.84 0.00 0.00 -0.03 0.00 0.00 56.01 53.33 1sxc n LEU 82 Cb 0.50 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1sxc n LEU 82 CO 0.68 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 178.02 1sxc n GLY 83 N 0.74 1.08 3.40 -0.72 0.00 -1.24 -4.79 105.19 103.65 1sxc n GLY 83 Ca 0.28 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 1sxc n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sxc s ASN 84 N -4.00 3.40 0.13 1.61 0.01 -1.26 -1.04 114.94 113.78 1sxc s ASN 84 Ca 0.00 -0.74 0.05 0.00 -0.71 0.00 0.00 52.86 51.46 1sxc s ASN 84 Cb 0.00 -0.26 -0.04 0.00 0.41 0.00 0.00 41.25 41.36 1sxc s ASN 84 CO 0.00 0.17 0.03 0.68 -1.51 0.00 0.00 177.10 176.48 1sxc s VAL 85 N -1.14 4.07 -0.16 1.60 -7.23 -0.66 -4.88 120.40 112.00 1sxc s VAL 85 Ca 0.15 -1.12 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 1sxc s VAL 85 Cb -0.10 -3.00 0.01 0.00 0.56 0.00 0.00 36.38 33.85 1sxc s VAL 85 CO 0.07 0.01 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.76 1sxc s THR 86 N -1.53 2.06 0.09 5.32 2.01 -1.26 -0.75 115.64 121.58 1sxc s THR 86 Ca 0.28 -0.96 -0.17 0.00 0.31 0.00 0.00 61.69 61.14 1sxc s THR 86 Cb -0.11 -1.83 -0.07 0.00 0.01 0.00 0.00 72.50 70.50 1sxc s THR 86 CO 0.20 0.55 0.55 0.00 -0.69 0.00 0.00 174.62 175.22 1sxc s ALA 87 N 1.02 3.60 0.89 7.40 0.00 0.17 -4.25 121.76 130.58 1sxc s ALA 87 Ca -0.02 -0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.82 1sxc s ALA 87 Cb -0.14 -2.57 0.12 0.00 0.00 0.00 0.00 23.12 20.53 1sxc s ALA 87 CO -0.07 0.43 0.74 -0.40 0.00 0.00 0.00 175.76 176.46 1sxc n ASP 88 N 1.41 0.27 -0.06 0.00 5.68 -0.52 -0.58 116.55 122.75 1sxc n ASP 88 Ca -0.09 -1.40 0.16 0.00 -0.50 0.00 0.00 54.79 52.96 1sxc n ASP 88 Cb 0.51 -0.55 0.58 0.00 -1.14 0.00 0.00 41.12 40.52 1sxc n ASP 88 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1sxc h LYS 89 N 0.00 0.24 -0.00 0.11 1.63 -1.97 -0.12 116.57 116.45 1sxc h LYS 89 Ca -0.24 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1sxc h LYS 89 Cb 0.72 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1sxc h LYS 89 CO 0.19 0.16 -0.00 0.09 -3.45 0.00 0.00 179.45 176.43 1sxc n ASN 90 N -4.44 0.18 0.00 4.20 3.02 -1.26 -4.82 115.26 112.14 1sxc n ASN 90 Ca 0.10 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1sxc n ASN 90 Cb 0.49 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 1sxc n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxc n GLY 91 N 1.05 0.52 3.62 7.41 0.00 -0.06 -4.72 105.19 113.02 1sxc n GLY 91 Ca 0.22 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1sxc n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sxc s VAL 92 N -2.00 4.78 -0.12 1.61 1.01 -1.26 -1.41 120.40 123.01 1sxc s VAL 92 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1sxc s VAL 92 Cb 0.00 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1sxc s VAL 92 CO 0.00 0.45 -0.16 0.00 0.00 0.00 0.00 175.10 175.39 1sxc s ALA 93 N 0.47 2.51 -0.18 5.51 0.00 0.93 -1.43 121.76 129.56 1sxc s ALA 93 Ca 0.03 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 1sxc s ALA 93 Cb -0.13 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 1sxc s ALA 93 CO 0.01 0.26 0.17 0.42 0.00 0.00 0.00 175.76 176.62 1sxc s ILE 94 N 0.33 5.39 -0.21 0.00 -1.09 -1.26 -0.74 121.20 123.63 1sxc s ILE 94 Ca -0.13 0.27 -0.09 0.00 -2.23 0.00 0.00 60.65 58.47 1sxc s ILE 94 Cb -0.16 -3.50 -0.05 0.00 -1.58 0.00 0.00 42.46 37.17 1sxc s ILE 94 CO 0.06 0.45 0.12 -0.69 -1.23 0.00 0.00 174.94 173.65 1sxc s VAL 95 N 0.25 5.21 -0.37 2.92 1.01 -0.61 -4.74 120.40 124.08 1sxc s VAL 95 Ca 0.10 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.24 1sxc s VAL 95 Cb -0.12 -3.39 0.16 0.00 0.00 0.00 0.00 36.38 33.04 1sxc s VAL 95 CO -0.00 0.41 0.42 -0.62 0.00 0.00 0.00 175.10 175.31 1sxc s ASP 96 N 0.61 0.65 0.06 3.32 -1.08 -1.24 -2.55 116.67 116.44 1sxc s ASP 96 Ca 0.07 -1.28 0.04 0.00 -0.52 0.00 0.00 52.55 50.85 1sxc s ASP 96 Cb -0.12 0.85 -0.03 0.00 -1.46 0.00 0.00 42.92 42.17 1sxc s ASP 96 CO 0.01 -0.26 -0.12 -0.63 0.52 0.00 0.00 175.17 174.68 1sxc s ILE 97 N 1.66 0.95 -0.08 4.11 1.01 -0.24 -4.99 121.20 123.62 1sxc s ILE 97 Ca 0.16 -1.16 0.04 0.00 0.00 0.00 0.00 60.65 59.69 1sxc s ILE 97 Cb -0.13 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.41 1sxc s ILE 97 CO -0.08 -0.21 -0.21 -0.69 0.00 0.00 0.00 174.94 173.75 1sxc s VAL 98 N -1.18 1.82 -0.00 2.92 1.01 -1.26 -0.36 120.40 123.35 1sxc s VAL 98 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1sxc s VAL 98 Cb -0.09 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 1sxc s VAL 98 CO 0.02 0.51 -0.10 -0.62 0.00 0.00 0.00 175.10 174.90 1sxc s ASP 99 N 0.30 1.20 0.02 3.32 2.15 -0.76 -5.00 116.67 117.89 1sxc s ASP 99 Ca -0.14 -0.20 0.26 0.00 0.43 0.00 0.00 52.55 52.89 1sxc s ASP 99 Cb -0.16 -0.13 0.64 0.00 -0.30 0.00 0.00 42.92 42.97 1sxc s ASP 99 CO 0.07 0.11 1.51 -0.81 -0.17 0.00 0.00 175.17 175.88 1sxc n PRO 100 N 2.75 0.05 -0.13 4.34 -0.04 -1.26 -3.51 135.00 137.20 1sxc n PRO 100 Ca -0.14 0.02 -0.18 0.00 -0.04 0.00 0.00 63.50 63.15 1sxc n PRO 100 Cb 0.56 -1.53 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 1sxc n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1sxc n LEU 101 N -1.60 2.96 -4.80 1.53 4.77 -1.26 -4.99 117.00 113.61 1sxc n LEU 101 Ca 0.05 -0.13 -0.30 0.00 -0.03 0.00 0.00 56.01 55.61 1sxc n LEU 101 Cb 0.35 -0.91 0.09 0.00 -2.33 0.00 0.00 43.42 40.62 1sxc n LEU 101 CO 0.33 0.93 0.71 0.27 -1.33 0.00 0.00 177.39 178.31 1sxc s ILE 102 N -2.52 3.10 0.25 -0.08 -4.36 -1.26 -4.85 121.20 111.48 1sxc s ILE 102 Ca -0.35 0.36 -0.11 0.00 -0.26 0.00 0.00 60.65 60.29 1sxc s ILE 102 Cb 0.09 -3.09 -0.01 0.00 1.25 0.00 0.00 42.46 40.70 1sxc s ILE 102 CO 0.60 -0.47 0.44 -0.55 0.24 0.00 0.00 174.94 175.20 1sxc s SER 103 N -3.88 0.02 0.00 4.36 0.15 -0.84 -4.68 113.70 108.83 1sxc s SER 103 Ca 0.61 -1.03 0.15 0.00 0.70 0.00 0.00 55.95 56.38 1sxc s SER 103 Cb -0.14 0.57 0.37 0.00 -1.71 0.00 0.00 66.02 65.10 1sxc s SER 103 CO 0.54 -1.12 1.28 0.18 1.20 0.00 0.00 173.24 175.32 1sxc n LEU 104 N -0.38 3.09 -3.51 3.45 4.77 -1.26 -1.44 117.00 121.71 1sxc n LEU 104 Ca -0.01 -1.77 -0.14 0.00 -0.03 0.00 0.00 56.01 54.07 1sxc n LEU 104 Cb 0.62 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1sxc n LEU 104 CO 0.24 0.73 0.55 -0.94 -1.33 0.00 0.00 177.39 176.65 1sxc s SER 105 N -1.08 -0.54 0.00 -1.43 1.04 -1.26 -4.28 113.70 106.15 1sxc s SER 105 Ca 0.30 0.43 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1sxc s SER 105 Cb 0.16 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1sxc s SER 105 CO 0.22 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1sxc n GLY 106 N 0.50 -1.70 0.35 7.32 0.00 -1.26 -4.12 105.19 106.28 1sxc n GLY 106 Ca -0.15 -1.54 0.10 0.00 0.00 0.00 0.00 46.02 44.43 1sxc n GLY 106 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sxc h GLU 107 N 0.00 0.51 -0.64 1.61 4.81 -2.00 -1.51 114.58 117.36 1sxc h GLU 107 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1sxc h GLU 107 Cb 0.00 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1sxc h GLU 107 CO 0.00 0.34 0.00 0.66 -0.73 0.00 0.00 179.01 179.28 1sxc n TYR 108 N -4.48 1.65 -1.87 0.92 4.01 -1.26 -4.98 117.16 111.15 1sxc n TYR 108 Ca 0.11 -0.61 -0.42 0.00 -0.16 0.00 0.00 57.90 56.83 1sxc n TYR 108 Cb 0.34 -0.36 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 1sxc n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sxc s SER 109 N -0.77 6.50 0.00 7.72 0.15 -0.57 -1.98 113.70 124.74 1sxc s SER 109 Ca 0.48 2.80 0.19 0.00 0.70 0.00 0.00 55.95 60.12 1sxc s SER 109 Cb 0.34 -2.62 0.33 0.00 -1.71 0.00 0.00 66.02 62.36 1sxc s SER 109 CO 0.18 -0.84 1.26 2.30 1.20 0.00 0.00 173.24 177.35 1sxc n ILE 110 N 2.69 0.48 -2.05 6.45 -5.35 -0.52 -4.91 119.36 116.15 1sxc n ILE 110 Ca 0.09 -0.74 -0.42 0.00 -0.27 0.00 0.00 62.75 61.42 1sxc n ILE 110 Cb 0.38 0.97 -0.03 0.00 -1.74 0.00 0.00 39.64 39.22 1sxc n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1sxc s ILE 111 N -1.30 2.85 0.00 7.28 -1.09 -1.26 -1.89 121.20 125.78 1sxc s ILE 111 Ca 0.30 0.66 0.00 0.00 -2.23 0.00 0.00 60.65 59.38 1sxc s ILE 111 Cb 0.18 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 1sxc s ILE 111 CO 0.25 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 1sxc n GLY 112 N 2.86 0.76 2.75 6.18 0.00 0.88 -4.99 105.19 113.63 1sxc n GLY 112 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1sxc n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxc n ARG 113 N -2.00 0.89 -4.95 1.61 1.74 -0.79 -2.37 116.66 110.79 1sxc n ARG 113 Ca 0.00 -2.46 -0.33 0.00 -0.77 0.00 0.00 57.85 54.29 1sxc n ARG 113 Cb 0.00 0.23 -0.15 0.00 -1.02 0.00 0.00 32.46 31.52 1sxc n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sxc s THR 114 N -1.94 2.70 -0.06 0.55 2.01 -1.02 -0.94 115.64 116.94 1sxc s THR 114 Ca 0.24 -0.80 -0.23 0.00 0.31 0.00 0.00 61.69 61.21 1sxc s THR 114 Cb -0.02 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 1sxc s THR 114 CO 0.15 0.54 0.68 -0.32 -0.69 0.00 0.00 174.62 174.98 1sxc s MET 115 N 0.24 4.43 -0.05 4.92 1.75 -0.77 0.08 119.30 129.88 1sxc s MET 115 Ca -0.11 0.84 0.04 0.00 -1.25 0.00 0.00 55.69 55.21 1sxc s MET 115 Cb -0.16 -3.44 -0.00 0.00 2.84 0.00 0.00 34.83 34.07 1sxc s MET 115 CO 0.06 0.10 -0.18 0.08 -0.65 0.00 0.00 175.02 174.43 1sxc s VAL 116 N 0.68 1.55 -0.19 10.11 1.01 -0.03 -2.14 120.40 131.39 1sxc s VAL 116 Ca 0.36 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 1sxc s VAL 116 Cb -0.18 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1sxc s VAL 116 CO 0.18 0.44 0.02 0.54 0.00 0.00 0.00 175.10 176.28 1sxc s VAL 117 N 0.07 4.26 0.30 2.92 0.11 -0.77 -2.02 120.40 125.26 1sxc s VAL 117 Ca -0.05 -0.21 0.04 0.00 -2.93 0.00 0.00 61.98 58.82 1sxc s VAL 117 Cb -0.13 -2.92 -0.02 0.00 -1.53 0.00 0.00 36.38 31.78 1sxc s VAL 117 CO 0.03 0.45 0.44 -1.00 -3.33 0.00 0.00 175.10 171.69 1sxc s HIS 118 N 0.68 3.36 0.17 1.54 3.76 -0.11 -1.45 115.29 123.25 1sxc s HIS 118 Ca 0.01 0.02 -0.07 0.00 -0.15 0.00 0.00 55.06 54.87 1sxc s HIS 118 Cb -0.14 -1.79 0.04 0.00 1.11 0.00 0.00 32.58 31.81 1sxc s HIS 118 CO 0.02 0.22 1.50 1.49 -0.85 0.00 0.00 174.74 177.11 1sxc h GLU 119 N 0.97 0.77 -5.86 1.40 4.81 -0.45 -3.38 114.58 112.84 1sxc h GLU 119 Ca -0.50 -0.43 -0.57 0.00 -0.13 0.00 0.00 59.36 57.73 1sxc h GLU 119 Cb 1.24 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.56 1sxc h GLU 119 CO 0.59 1.06 -0.46 0.15 -0.73 0.00 0.00 179.01 179.62 1sxc s LYS 120 N -4.25 2.25 0.51 1.92 -0.14 -0.23 -4.87 119.74 114.94 1sxc s LYS 120 Ca -0.09 -1.90 -0.23 0.00 -1.36 0.00 0.00 55.97 52.39 1sxc s LYS 120 Cb 0.11 -1.99 -0.06 0.00 -1.68 0.00 0.00 37.83 34.22 1sxc s LYS 120 CO 0.86 -0.22 1.31 -2.14 -0.76 0.00 0.00 175.35 174.40 1sxc s PRO 121 N -3.98 3.38 -0.14 -1.68 0.02 -1.15 -1.38 135.00 130.07 1sxc s PRO 121 Ca 0.37 2.13 -0.22 0.00 0.02 0.00 0.00 61.00 63.31 1sxc s PRO 121 Cb 0.02 -2.35 -0.03 0.00 0.02 0.00 0.00 34.50 32.16 1sxc s PRO 121 CO 0.21 -0.96 0.64 0.34 -0.33 0.00 0.00 177.00 176.90 1sxc s ASP 122 N -1.01 6.80 0.00 2.53 -1.08 -1.26 -4.11 116.67 118.54 1sxc s ASP 122 Ca 0.68 0.97 0.25 0.00 -0.52 0.00 0.00 52.55 53.93 1sxc s ASP 122 Cb -0.38 -2.37 1.26 0.00 -1.46 0.00 0.00 42.92 39.97 1sxc s ASP 122 CO 0.45 -0.19 1.83 -0.90 0.52 0.00 0.00 175.17 176.89 1sxc n ASP 123 N 4.42 0.62 -2.04 -0.34 5.68 -0.63 -4.89 116.55 119.37 1sxc n ASP 123 Ca -0.02 -1.37 -0.18 0.00 -0.50 0.00 0.00 54.79 52.72 1sxc n ASP 123 Cb 0.50 -0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.46 1sxc n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sxc n LEU 124 N -0.45 -1.86 0.00 -2.12 4.77 -1.26 -2.48 117.00 113.61 1sxc n LEU 124 Ca 0.18 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1sxc n LEU 124 Cb 0.19 -2.54 0.00 0.00 -2.33 0.00 0.00 43.42 38.73 1sxc n LEU 124 CO 0.14 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1sxc n GLY 125 N -1.05 0.87 1.26 -0.72 0.00 -1.24 -3.44 105.19 100.86 1sxc n GLY 125 Ca -0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.90 1sxc n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxc n ARG 126 N -2.27 3.65 0.23 1.61 1.74 -1.03 -4.62 116.66 115.97 1sxc n ARG 126 Ca 0.00 -2.95 0.13 0.00 -0.77 0.00 0.00 57.85 54.26 1sxc n ARG 126 Cb 0.00 -1.99 0.31 0.00 -1.02 0.00 0.00 32.46 29.76 1sxc n ARG 126 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1sxc h GLY 127 N 2.65 0.00 0.00 -0.13 0.00 -1.90 -3.48 103.07 100.21 1sxc h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sxc h GLY 127 CO 0.31 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.46 1sxc n GLY 128 N 0.78 0.76 3.69 4.60 0.00 -1.26 -5.03 105.19 108.73 1sxc n GLY 128 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1sxc n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxc s ASN 129 N -2.78 4.29 0.25 1.61 2.20 -1.26 -5.03 114.94 114.21 1sxc s ASN 129 Ca 0.00 -1.08 -0.05 0.00 -0.94 0.00 0.00 52.86 50.79 1sxc s ASN 129 Cb 0.00 -0.50 0.29 0.00 -2.00 0.00 0.00 41.25 39.04 1sxc s ASN 129 CO 0.00 -0.42 1.91 -0.08 -2.94 0.00 0.00 177.10 175.57 1sxc h GLU 130 N 1.60 1.23 -0.70 3.55 4.81 -2.01 -2.80 114.58 120.27 1sxc h GLU 130 Ca -0.43 -0.07 0.12 0.00 -0.13 0.00 0.00 59.36 58.85 1sxc h GLU 130 Cb 1.25 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 1sxc h GLU 130 CO 0.70 0.82 0.46 1.49 -0.73 0.00 0.00 179.01 181.75 1sxc h GLU 131 N 1.27 0.45 -0.85 1.92 4.57 -2.00 -1.64 114.58 118.30 1sxc h GLU 131 Ca 0.38 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.57 1sxc h GLU 131 Cb -0.05 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.39 1sxc h GLU 131 CO -0.11 0.30 0.56 1.03 -1.18 0.00 0.00 179.01 179.60 1sxc h SER 132 N 0.46 0.90 0.45 1.04 0.87 -1.83 -0.20 113.55 115.24 1sxc h SER 132 Ca 0.33 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1sxc h SER 132 Cb 0.66 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1sxc h SER 132 CO -0.10 0.62 0.00 0.35 -0.53 0.00 0.00 176.83 177.16 1sxc n THR 133 N -4.45 0.14 -0.04 2.23 -2.24 -0.62 -1.28 114.28 108.01 1sxc n THR 133 Ca 0.11 0.03 -0.09 0.00 -2.27 0.00 0.00 64.05 61.84 1sxc n THR 133 Cb 0.12 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 67.71 1sxc n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sxc n LYS 134 N -1.26 0.19 0.00 -0.78 5.02 -0.42 -1.19 118.16 119.73 1sxc n LYS 134 Ca 0.13 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1sxc n LYS 134 Cb 0.20 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 1sxc n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sxc n THR 135 N -3.27 0.00 -1.22 -0.18 -2.24 -0.22 -4.66 114.28 102.49 1sxc n THR 135 Ca -0.17 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.32 1sxc n THR 135 Cb 0.63 1.57 -0.03 0.00 -2.10 0.00 0.00 70.33 70.40 1sxc n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sxc n GLY 136 N 0.00 0.94 2.58 3.38 0.00 -0.40 -2.78 105.19 108.91 1sxc n GLY 136 Ca 0.00 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 1sxc n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sxc n ASN 137 N 0.40 -5.25 0.04 1.61 3.02 -1.25 -1.61 115.26 112.22 1sxc n ASN 137 Ca -0.08 -0.03 0.12 0.00 -0.03 0.00 0.00 54.58 54.57 1sxc n ASN 137 Cb 0.28 -4.36 0.50 0.00 -0.61 0.00 0.00 39.78 35.59 1sxc n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sxc n ALA 138 N -2.44 2.15 -0.06 5.41 0.00 -1.12 -4.73 120.51 119.72 1sxc n ALA 138 Ca -0.18 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1sxc n ALA 138 Cb 0.65 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1sxc n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxc n GLY 139 N 1.06 -0.96 3.76 0.00 0.00 -1.26 -1.06 105.19 106.73 1sxc n GLY 139 Ca 0.06 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 1sxc n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxc s SER 140 N -4.00 4.52 -0.56 1.61 1.04 -1.26 -4.64 113.70 110.41 1sxc s SER 140 Ca 0.00 1.87 -0.22 0.00 0.48 0.00 0.00 55.95 58.08 1sxc s SER 140 Cb 0.00 -2.53 0.05 0.00 0.10 0.00 0.00 66.02 63.64 1sxc s SER 140 CO 0.00 -2.03 0.84 -0.13 0.98 0.00 0.00 173.24 172.91 1sxc s ARG 141 N -4.77 3.23 0.18 4.02 0.52 -1.26 -0.11 118.95 120.76 1sxc s ARG 141 Ca 0.62 -0.56 -0.05 0.00 -0.52 0.00 0.00 55.73 55.21 1sxc s ARG 141 Cb -0.18 -4.10 0.07 0.00 0.52 0.00 0.00 34.95 31.27 1sxc s ARG 141 CO 0.54 -1.46 1.50 -0.07 0.02 0.00 0.00 175.30 175.83 1sxc h LEU 142 N 10.63 0.74 -7.06 2.53 3.38 -1.55 -3.47 115.31 120.50 1sxc h LEU 142 Ca -0.27 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.28 1sxc h LEU 142 Cb 1.08 -0.21 -0.16 0.00 0.09 0.00 0.00 40.66 41.46 1sxc h LEU 142 CO 1.07 1.11 0.15 0.00 0.09 0.00 0.00 178.44 180.85 1sxc s ALA 143 N -4.13 -1.59 0.22 1.53 0.00 -1.22 -4.09 121.76 112.48 1sxc s ALA 143 Ca -0.08 0.88 -0.22 0.00 0.00 0.00 0.00 51.96 52.53 1sxc s ALA 143 Cb 0.11 0.35 0.04 0.00 0.00 0.00 0.00 23.12 23.63 1sxc s ALA 143 CO 0.85 -0.52 0.75 0.00 0.00 0.00 0.00 175.76 176.84 1sxc s GLY 145 N -2.87 -0.47 0.07 0.00 0.00 -0.91 -1.61 107.32 101.53 1sxc s GLY 145 Ca 0.09 1.22 -0.23 0.00 0.00 0.00 0.00 44.72 45.80 1sxc s GLY 145 CO 0.02 0.60 0.71 0.14 0.00 0.00 0.00 173.10 174.57 1sxc s VAL 146 N -2.35 4.67 -0.24 1.40 1.01 -1.26 -1.86 120.40 121.77 1sxc s VAL 146 Ca -0.01 1.52 -0.27 0.00 0.00 0.00 0.00 61.98 63.22 1sxc s VAL 146 Cb -0.01 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1sxc s VAL 146 CO -0.03 0.44 0.97 -0.63 0.00 0.00 0.00 175.10 175.84 1sxc s ILE 147 N -0.50 4.72 0.29 2.22 1.01 -0.11 -4.55 121.20 124.29 1sxc s ILE 147 Ca 0.35 1.83 0.11 0.00 0.00 0.00 0.00 60.65 62.94 1sxc s ILE 147 Cb -0.21 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 1sxc s ILE 147 CO 0.22 -0.17 -0.16 -0.83 0.00 0.00 0.00 174.94 174.00 1sxc s GLY 148 N 1.29 1.93 0.16 6.18 0.00 -0.33 -0.08 107.32 116.46 1sxc s GLY 148 Ca 0.41 -1.92 -0.31 0.00 0.00 0.00 0.00 44.72 42.90 1sxc s GLY 148 CO 0.07 -1.96 1.37 -0.42 0.00 0.00 0.00 173.10 172.16 1sxc s ILE 149 N -2.60 3.18 0.33 0.90 1.01 -1.26 -0.72 121.20 122.04 1sxc s ILE 149 Ca 0.30 0.90 0.09 0.00 0.00 0.00 0.00 60.65 61.94 1sxc s ILE 149 Cb -0.02 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 1sxc s ILE 149 CO 0.14 0.10 0.07 0.00 0.00 0.00 0.00 174.94 175.26 1sxc s ALA 150 N 0.63 3.33 -2.00 9.38 0.00 -0.47 -4.79 121.76 127.85 1sxc s ALA 150 Ca 0.61 -1.87 0.28 0.00 0.00 0.00 0.00 51.96 50.98 1sxc s ALA 150 Cb -0.37 -0.57 1.66 0.00 0.00 0.00 0.00 23.12 23.84 1sxc s ALA 150 CO 0.34 0.07 2.01 1.17 0.00 0.00 0.00 175.76 179.35