#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxa n THR 2 N 0.00 0.00 -3.99 0.00 -2.24 -1.26 -4.65 114.28 102.14 1sxa n THR 2 Ca 0.00 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 1sxa n THR 2 Cb 0.00 0.62 -0.13 0.00 -2.10 0.00 0.00 70.33 68.72 1sxa n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sxa s LYS 3 N -1.97 0.26 0.15 -0.78 1.02 -1.26 -1.17 119.74 116.00 1sxa s LYS 3 Ca -0.00 -0.33 -0.06 0.00 0.02 0.00 0.00 55.97 55.59 1sxa s LYS 3 Cb 0.03 -0.11 -0.02 0.00 -0.52 0.00 0.00 37.83 37.21 1sxa s LYS 3 CO 0.17 0.02 0.20 0.00 -0.92 0.00 0.00 175.35 174.82 1sxa s ALA 4 N -0.65 0.30 0.03 5.17 0.00 -0.38 -1.95 121.76 124.28 1sxa s ALA 4 Ca -0.06 -1.08 -0.08 0.00 0.00 0.00 0.00 51.96 50.74 1sxa s ALA 4 Cb -0.05 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.91 1sxa s ALA 4 CO -0.00 -0.58 0.17 0.54 0.00 0.00 0.00 175.76 175.88 1sxa s VAL 5 N -3.99 0.11 -0.07 0.00 0.11 -0.47 -1.14 120.40 114.96 1sxa s VAL 5 Ca 0.19 -0.91 -0.05 0.00 -2.93 0.00 0.00 61.98 58.27 1sxa s VAL 5 Cb 0.05 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 34.07 1sxa s VAL 5 CO 0.00 -0.50 0.17 0.00 -3.33 0.00 0.00 175.10 171.44 1sxa s VAL 7 N 0.35 3.28 -0.14 0.00 1.01 -1.26 -1.34 120.40 122.30 1sxa s VAL 7 Ca -0.02 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 1sxa s VAL 7 Cb -0.03 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1sxa s VAL 7 CO -0.01 0.38 0.59 -0.76 0.00 0.00 0.00 175.10 175.29 1sxa s LEU 8 N 1.45 4.23 0.04 3.92 1.43 0.05 -4.09 118.68 125.70 1sxa s LEU 8 Ca 0.05 0.90 -0.04 0.00 -1.03 0.00 0.00 54.13 54.01 1sxa s LEU 8 Cb -0.15 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.19 1sxa s LEU 8 CO -0.04 -0.14 0.05 -0.54 0.23 0.00 0.00 176.35 175.91 1sxa s LYS 9 N 1.23 0.54 0.00 1.70 1.02 -0.27 -2.62 119.74 121.33 1sxa s LYS 9 Ca 0.30 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.47 1sxa s LYS 9 Cb -0.16 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 1sxa s LYS 9 CO 0.12 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 1sxa n GLY 10 N 0.81 2.89 0.05 -3.33 0.00 -1.25 -1.13 105.19 103.23 1sxa n GLY 10 Ca -0.19 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 44.93 1sxa n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sxa n ASP 11 N -0.76 0.45 0.00 1.61 8.00 -1.26 -4.87 116.55 119.71 1sxa n ASP 11 Ca 0.00 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1sxa n ASP 11 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1sxa n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sxa n GLY 12 N 1.44 4.58 0.15 0.44 0.00 -1.26 -5.02 105.19 105.51 1sxa n GLY 12 Ca 0.08 -1.96 0.15 0.00 0.00 0.00 0.00 46.02 44.29 1sxa n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxa n PRO 13 N 0.00 1.06 -2.53 1.61 -0.04 -1.26 -4.91 135.00 128.92 1sxa n PRO 13 Ca 0.00 -0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 62.73 1sxa n PRO 13 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1sxa n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sxa s VAL 14 N -2.15 4.31 0.11 0.52 1.01 -1.26 -4.50 120.40 118.43 1sxa s VAL 14 Ca 0.39 1.69 -0.08 0.00 0.00 0.00 0.00 61.98 63.98 1sxa s VAL 14 Cb 0.21 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1sxa s VAL 14 CO 0.39 0.15 0.20 -1.10 0.00 0.00 0.00 175.10 174.74 1sxa s GLN 15 N 0.87 0.91 0.00 2.72 -0.21 -0.95 -3.94 119.66 119.06 1sxa s GLN 15 Ca 0.55 -1.04 0.00 0.00 0.02 0.00 0.00 55.36 54.90 1sxa s GLN 15 Cb -0.26 0.34 0.00 0.00 1.00 0.00 0.00 33.01 34.09 1sxa s GLN 15 CO 0.29 -0.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.58 1sxa n GLY 16 N -0.09 0.37 2.91 3.09 0.00 -1.08 -0.80 105.19 109.59 1sxa n GLY 16 Ca -0.13 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 1sxa n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sxa s THR 17 N -2.00 0.70 -0.09 2.61 2.01 -0.76 -0.77 115.64 117.34 1sxa s THR 17 Ca 0.00 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.83 1sxa s THR 17 Cb 0.00 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 1sxa s THR 17 CO 0.00 0.28 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.43 1sxa s ILE 18 N 1.11 2.92 0.07 1.82 -1.09 -0.45 -2.41 121.20 123.17 1sxa s ILE 18 Ca -0.08 -0.74 0.07 0.00 -2.23 0.00 0.00 60.65 57.68 1sxa s ILE 18 Cb -0.14 -2.18 -0.04 0.00 -1.58 0.00 0.00 42.46 38.52 1sxa s ILE 18 CO -0.01 0.55 -0.13 -1.00 -1.23 0.00 0.00 174.94 173.12 1sxa s HIS 19 N -0.08 2.68 -0.02 3.97 3.76 0.68 -1.28 115.29 125.00 1sxa s HIS 19 Ca -0.03 -0.18 0.03 0.00 -0.15 0.00 0.00 55.06 54.73 1sxa s HIS 19 Cb -0.14 -1.46 -0.00 0.00 1.11 0.00 0.00 32.58 32.09 1sxa s HIS 19 CO 0.04 0.36 -0.09 -0.06 -0.85 0.00 0.00 174.74 174.13 1sxa s PHE 20 N -1.08 0.92 -0.04 1.40 0.40 -0.29 -1.30 117.98 117.99 1sxa s PHE 20 Ca 0.18 -0.20 -0.01 0.00 -0.60 0.00 0.00 56.93 56.29 1sxa s PHE 20 Cb -0.11 -0.63 0.03 0.00 0.51 0.00 0.00 43.02 42.83 1sxa s PHE 20 CO 0.10 -0.06 0.07 -2.00 0.70 0.00 0.00 175.22 174.03 1sxa s GLU 21 N -0.02 -0.02 -0.03 0.44 2.12 -0.77 -1.25 118.70 119.19 1sxa s GLU 21 Ca 0.00 0.31 -0.30 0.00 0.36 0.00 0.00 54.97 55.34 1sxa s GLU 21 Cb -0.06 -0.30 -0.03 0.00 0.26 0.00 0.00 34.13 33.99 1sxa s GLU 21 CO 0.00 -0.22 1.14 0.00 -0.54 0.00 0.00 175.26 175.64 1sxa s ALA 22 N 1.48 3.41 -0.16 6.30 0.00 -0.31 -0.93 121.76 131.55 1sxa s ALA 22 Ca -0.05 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 1sxa s ALA 22 Cb -0.12 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.58 1sxa s ALA 22 CO -0.04 -0.59 0.03 0.21 0.00 0.00 0.00 175.76 175.37 1sxa s LYS 23 N 1.77 0.56 7.15 0.00 2.20 0.13 -4.96 119.74 126.60 1sxa s LYS 23 Ca 0.55 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 1sxa s LYS 23 Cb -0.24 -1.75 0.00 0.00 -1.51 0.00 0.00 37.83 34.33 1sxa s LYS 23 CO 0.24 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 1sxa n GLY 24 N 5.11 3.48 2.06 5.54 0.00 -1.26 -0.95 105.19 119.16 1sxa n GLY 24 Ca -0.08 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1sxa n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sxa n ASP 25 N 4.35 4.53 -4.39 1.61 5.75 -1.26 -4.94 116.55 122.19 1sxa n ASP 25 Ca 0.00 -3.34 -0.23 0.00 -0.01 0.00 0.00 54.79 51.21 1sxa n ASP 25 Cb 0.00 -0.77 -0.10 0.00 -1.03 0.00 0.00 41.12 39.22 1sxa n ASP 25 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1sxa s THR 26 N -3.09 1.06 -0.09 2.12 -4.23 -0.13 -4.64 115.64 106.65 1sxa s THR 26 Ca 0.56 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.11 1sxa s THR 26 Cb 0.45 -2.67 -0.00 0.00 1.34 0.00 0.00 72.50 71.62 1sxa s THR 26 CO 0.13 0.00 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.28 1sxa s VAL 27 N -3.25 2.03 -0.25 2.29 1.01 -0.03 -0.69 120.40 121.49 1sxa s VAL 27 Ca 0.32 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 1sxa s VAL 27 Cb 0.07 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1sxa s VAL 27 CO 0.15 0.55 0.26 -0.69 0.00 0.00 0.00 175.10 175.38 1sxa s VAL 28 N 0.24 5.27 -0.21 2.92 1.01 -0.11 -1.14 120.40 128.38 1sxa s VAL 28 Ca -0.15 0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 1sxa s VAL 28 Cb -0.17 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1sxa s VAL 28 CO 0.08 0.25 -0.05 -0.69 0.00 0.00 0.00 175.10 174.69 1sxa s VAL 29 N 1.56 3.40 0.26 2.92 1.01 0.13 -1.84 120.40 127.84 1sxa s VAL 29 Ca 0.11 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1sxa s VAL 29 Cb -0.15 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1sxa s VAL 29 CO 0.08 0.43 0.08 0.42 0.00 0.00 0.00 175.10 176.11 1sxa s THR 30 N 1.32 0.73 -5.00 3.92 -4.23 -0.42 -0.87 115.64 111.09 1sxa s THR 30 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1sxa s THR 30 Cb -0.14 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1sxa s THR 30 CO -0.02 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1sxa n GLY 31 N -0.49 0.84 3.34 3.99 0.00 -1.09 -0.23 105.19 111.55 1sxa n GLY 31 Ca -0.01 -1.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.03 1sxa n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxa s SER 32 N -4.00 -0.35 -0.02 1.61 1.04 -1.01 -1.08 113.70 109.89 1sxa s SER 32 Ca 0.00 0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.73 1sxa s SER 32 Cb 0.00 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 1sxa s SER 32 CO 0.00 -0.54 -0.16 -0.63 0.98 0.00 0.00 173.24 172.90 1sxa s ILE 33 N -1.50 1.26 0.23 -1.02 1.01 -0.57 -1.83 121.20 118.78 1sxa s ILE 33 Ca -0.11 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 59.93 1sxa s ILE 33 Cb -0.03 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 1sxa s ILE 33 CO 0.05 0.36 -0.07 0.42 0.00 0.00 0.00 174.94 175.70 1sxa s THR 34 N -0.25 1.44 0.00 2.92 -4.23 0.02 -0.50 115.64 115.04 1sxa s THR 34 Ca 0.03 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1sxa s THR 34 Cb -0.07 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.52 1sxa s THR 34 CO 0.00 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 1sxa n GLY 35 N -0.44 0.61 3.90 3.99 0.00 -0.97 -2.24 105.19 110.04 1sxa n GLY 35 Ca -0.07 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1sxa n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxa s LEU 36 N 0.00 3.97 0.40 0.99 1.43 -0.84 -4.41 118.68 120.23 1sxa s LEU 36 Ca 0.00 0.82 -0.23 0.00 -1.03 0.00 0.00 54.13 53.69 1sxa s LEU 36 Cb 0.00 -3.66 -0.09 0.00 0.03 0.00 0.00 46.19 42.46 1sxa s LEU 36 CO 0.00 -0.28 1.02 0.42 0.23 0.00 0.00 176.35 177.74 1sxa s THR 37 N -2.21 3.91 0.49 5.49 -4.23 -1.26 -3.74 115.64 114.09 1sxa s THR 37 Ca 0.46 1.40 -0.22 0.00 -1.18 0.00 0.00 61.69 62.15 1sxa s THR 37 Cb -0.10 -3.69 -0.08 0.00 1.34 0.00 0.00 72.50 69.96 1sxa s THR 37 CO 0.31 -0.05 1.01 1.21 -0.54 0.00 0.00 174.62 176.56 1sxa n GLU 38 N -0.17 1.24 0.00 3.99 2.13 -1.26 -4.53 120.64 122.04 1sxa n GLU 38 Ca 0.05 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.33 1sxa n GLU 38 Cb 0.51 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 30.10 1sxa n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sxa n GLY 39 N 1.20 -0.51 3.80 8.31 0.00 0.13 -4.89 105.19 113.23 1sxa n GLY 39 Ca 0.11 -2.21 -0.37 0.00 0.00 0.00 0.00 46.02 43.55 1sxa n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxa s ASP 40 N -4.00 7.16 -0.01 1.61 1.11 -1.26 0.14 116.67 121.41 1sxa s ASP 40 Ca 0.00 1.47 0.01 0.00 0.18 0.00 0.00 52.55 54.21 1sxa s ASP 40 Cb 0.00 -2.44 0.01 0.00 1.07 0.00 0.00 42.92 41.56 1sxa s ASP 40 CO 0.00 0.11 -0.02 -1.00 1.18 0.00 0.00 175.17 175.44 1sxa s HIS 41 N -1.36 0.31 0.49 4.23 3.76 -0.27 -2.85 115.29 119.59 1sxa s HIS 41 Ca 0.39 -0.04 -0.22 0.00 -0.15 0.00 0.00 55.06 55.05 1sxa s HIS 41 Cb -0.19 -0.29 -0.07 0.00 1.11 0.00 0.00 32.58 33.15 1sxa s HIS 41 CO 0.22 -0.06 1.16 0.20 -0.85 0.00 0.00 174.74 175.41 1sxa s GLY 42 N 0.40 2.73 -0.22 -2.22 0.00 -0.16 -1.03 107.32 106.83 1sxa s GLY 42 Ca -0.04 0.91 -0.03 0.00 0.00 0.00 0.00 44.72 45.56 1sxa s GLY 42 CO -0.01 1.33 0.07 -0.12 0.00 0.00 0.00 173.10 174.37 1sxa s PHE 43 N -1.61 0.81 0.10 1.90 5.36 -0.07 -1.11 117.98 123.34 1sxa s PHE 43 Ca 0.67 -0.84 0.01 0.00 -0.96 0.00 0.00 56.93 55.81 1sxa s PHE 43 Cb -0.27 -1.01 -0.04 0.00 -0.34 0.00 0.00 43.02 41.35 1sxa s PHE 43 CO 0.32 -0.65 -0.06 -1.01 -1.46 0.00 0.00 175.22 172.36 1sxa s HIS 44 N 1.93 0.88 -0.21 10.12 3.76 -0.48 -3.05 115.29 128.24 1sxa s HIS 44 Ca 0.03 -0.94 -0.20 0.00 -0.15 0.00 0.00 55.06 53.79 1sxa s HIS 44 Cb -0.17 -0.52 -0.03 0.00 1.11 0.00 0.00 32.58 32.98 1sxa s HIS 44 CO -0.15 -0.18 0.60 0.08 -0.85 0.00 0.00 174.74 174.24 1sxa s VAL 45 N -3.66 5.03 0.24 -0.90 1.01 0.15 -0.78 120.40 121.49 1sxa s VAL 45 Ca 0.12 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.23 1sxa s VAL 45 Cb 0.06 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1sxa s VAL 45 CO -0.05 0.11 0.42 -1.00 0.00 0.00 0.00 175.10 174.58 1sxa s HIS 46 N 2.00 3.48 0.12 5.22 3.76 0.73 -1.21 115.29 129.39 1sxa s HIS 46 Ca 0.27 0.28 -0.19 0.00 -0.15 0.00 0.00 55.06 55.27 1sxa s HIS 46 Cb -0.16 -1.81 -0.06 0.00 1.11 0.00 0.00 32.58 31.66 1sxa s HIS 46 CO 0.10 0.34 1.74 0.37 -0.85 0.00 0.00 174.74 176.43 1sxa h GLN 47 N 1.61 0.34 -5.92 1.40 4.15 0.07 -3.08 115.11 113.68 1sxa h GLN 47 Ca -0.49 -0.03 -0.64 0.00 0.77 0.00 0.00 58.65 58.25 1sxa h GLN 47 Cb 1.20 -0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.75 1sxa h GLN 47 CO 0.65 0.27 -0.54 -0.06 -1.93 0.00 0.00 178.83 177.23 1sxa s PHE 48 N -5.97 3.41 -0.53 3.99 0.08 -0.04 -4.67 117.98 114.25 1sxa s PHE 48 Ca -0.13 0.27 -0.02 0.00 0.12 0.00 0.00 56.93 57.17 1sxa s PHE 48 Cb 0.09 -1.77 0.30 0.00 -0.57 0.00 0.00 43.02 41.07 1sxa s PHE 48 CO 0.70 0.60 2.12 0.41 -0.10 0.00 0.00 175.22 178.95 1sxa n GLY 49 N 0.96 4.98 3.42 4.36 0.00 -1.04 -3.67 105.19 114.20 1sxa n GLY 49 Ca -0.11 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 1sxa n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sxa s ASP 50 N -0.73 5.75 -0.17 1.61 -1.08 -1.26 -4.94 116.67 115.85 1sxa s ASP 50 Ca 0.50 -0.78 0.16 0.00 -0.52 0.00 0.00 52.55 51.90 1sxa s ASP 50 Cb 0.39 -2.04 0.57 0.00 -1.46 0.00 0.00 42.92 40.37 1sxa s ASP 50 CO -0.07 -0.32 1.48 -3.20 0.52 0.00 0.00 175.17 173.57 1sxa n ASN 51 N 5.02 4.18 0.26 -0.34 2.85 -1.26 -3.17 115.26 122.79 1sxa n ASN 51 Ca -0.12 -2.86 0.11 0.00 -0.11 0.00 0.00 54.58 51.60 1sxa n ASN 51 Cb 0.47 -0.54 0.68 0.00 1.24 0.00 0.00 39.78 41.64 1sxa n ASN 51 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1sxa h THR 52 N 2.36 0.69 -1.32 -0.44 1.35 -1.92 -2.92 112.91 110.71 1sxa h THR 52 Ca 0.00 -0.55 -0.54 0.00 -0.55 0.00 0.00 66.41 64.77 1sxa h THR 52 Cb 1.47 1.34 -0.42 0.00 -1.73 0.00 0.00 68.15 68.81 1sxa h THR 52 CO 0.25 0.13 -0.83 0.00 -0.25 0.00 0.00 175.52 174.82 1sxa n GLN 53 N -3.79 3.04 0.00 4.72 6.02 -1.26 -5.05 117.38 121.06 1sxa n GLN 53 Ca -0.02 -4.24 0.00 0.00 -0.01 0.00 0.00 57.00 52.73 1sxa n GLN 53 Cb 0.24 -2.07 0.00 0.00 1.02 0.00 0.00 30.24 29.42 1sxa n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sxa n GLY 54 N -0.44 1.38 0.12 1.08 0.00 -1.10 -2.62 105.19 103.61 1sxa n GLY 54 Ca 0.34 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.83 1sxa n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxa h THR 56 N 0.00 1.25 0.00 0.00 2.02 -1.85 -2.87 112.91 111.46 1sxa h THR 56 Ca 0.00 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.17 1sxa h THR 56 Cb 0.71 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1sxa h THR 56 CO 0.00 0.37 0.00 -1.54 0.37 0.00 0.00 175.52 174.72 1sxa n SER 57 N -4.22 0.00 0.10 4.18 3.41 -1.24 -3.10 113.62 112.75 1sxa n SER 57 Ca 0.04 -0.70 0.10 0.00 -0.26 0.00 0.00 58.87 58.04 1sxa n SER 57 Cb 0.29 -0.01 0.43 0.00 -0.26 0.00 0.00 64.21 64.66 1sxa n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sxa n ALA 58 N -1.01 1.54 -0.42 7.33 0.00 -1.09 -4.45 120.51 122.41 1sxa n ALA 58 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1sxa n ALA 58 Cb 0.09 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1sxa n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxa n GLY 59 N -0.26 -0.28 3.38 0.00 0.00 -1.18 -0.86 105.19 105.99 1sxa n GLY 59 Ca 0.02 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 1sxa n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxa n PRO 60 N 0.00 -0.70 -1.86 1.61 -0.04 -1.26 -4.62 135.00 128.13 1sxa n PRO 60 Ca 0.00 -2.02 -0.38 0.00 -0.04 0.00 0.00 63.50 61.06 1sxa n PRO 60 Cb 0.00 -0.95 0.04 0.00 -0.04 0.00 0.00 33.50 32.55 1sxa n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sxa s HIS 61 N -3.20 2.32 -0.09 0.54 3.76 -1.26 0.37 115.29 117.73 1sxa s HIS 61 Ca 0.63 1.44 -0.29 0.00 -0.15 0.00 0.00 55.06 56.68 1sxa s HIS 61 Cb -0.02 -3.68 -0.05 0.00 1.11 0.00 0.00 32.58 29.93 1sxa s HIS 61 CO 0.43 -2.65 1.74 0.12 -0.85 0.00 0.00 174.74 173.53 1sxa s PHE 62 N -1.39 1.84 -0.39 1.40 5.36 -0.35 -4.47 117.98 119.98 1sxa s PHE 62 Ca 0.74 0.20 0.09 0.00 -0.96 0.00 0.00 56.93 57.00 1sxa s PHE 62 Cb -0.37 -3.98 0.27 0.00 -0.34 0.00 0.00 43.02 38.60 1sxa s PHE 62 CO 0.42 -3.91 0.58 -1.71 -1.46 0.00 0.00 175.22 169.14 1sxa n ASN 63 N 7.86 0.11 0.29 6.13 5.15 -1.26 -1.95 115.26 131.59 1sxa n ASN 63 Ca 0.19 -2.79 0.17 0.00 -0.60 0.00 0.00 54.58 51.55 1sxa n ASN 63 Cb 0.43 -0.48 0.87 0.00 -0.53 0.00 0.00 39.78 40.08 1sxa n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1sxa h PRO 64 N 3.80 0.00 -0.36 1.20 0.13 -1.96 -2.51 132.00 132.30 1sxa h PRO 64 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1sxa h PRO 64 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1sxa h PRO 64 CO 0.46 0.05 0.00 1.28 -0.23 0.00 0.00 178.00 179.56 1sxa n LEU 65 N -3.35 2.54 -3.93 1.56 4.77 -1.26 -4.99 117.00 112.35 1sxa n LEU 65 Ca -0.02 -1.16 -0.29 0.00 -0.03 0.00 0.00 56.01 54.51 1sxa n LEU 65 Cb 0.20 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1sxa n LEU 65 CO 0.26 0.58 -0.21 -1.20 -1.33 0.00 0.00 177.39 175.49 1sxa n SER 66 N 0.89 -1.56 -4.89 -1.43 7.64 -0.95 -5.00 113.62 108.32 1sxa n SER 66 Ca 0.17 -1.05 -0.23 0.00 1.01 0.00 0.00 58.87 58.77 1sxa n SER 66 Cb 0.44 -2.92 -0.02 0.00 -1.01 0.00 0.00 64.21 60.71 1sxa n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1sxa s LYS 67 N -6.56 2.39 0.55 1.43 1.02 -1.26 -5.14 119.74 112.18 1sxa s LYS 67 Ca 0.14 -1.74 -0.02 0.00 0.02 0.00 0.00 55.97 54.37 1sxa s LYS 67 Cb -0.06 -2.28 0.02 0.00 -0.52 0.00 0.00 37.83 34.99 1sxa s LYS 67 CO 0.90 -0.40 0.81 0.15 -0.92 0.00 0.00 175.35 175.89 1sxa s LYS 68 N -4.22 2.78 0.29 1.68 1.02 -1.26 -4.76 119.74 115.27 1sxa s LYS 68 Ca 0.44 -0.39 -0.29 0.00 0.02 0.00 0.00 55.97 55.75 1sxa s LYS 68 Cb -0.03 -2.41 -0.10 0.00 -0.52 0.00 0.00 37.83 34.77 1sxa s LYS 68 CO 0.26 -0.63 1.40 -1.58 -0.92 0.00 0.00 175.35 173.89 1sxa s HIS 69 N -2.82 2.98 0.00 3.18 5.65 -0.44 -3.37 115.29 120.47 1sxa s HIS 69 Ca 0.54 1.16 0.00 0.00 0.25 0.00 0.00 55.06 57.00 1sxa s HIS 69 Cb -0.10 -3.80 0.00 0.00 -1.18 0.00 0.00 32.58 27.50 1sxa s HIS 69 CO 0.41 -2.46 0.00 0.41 -0.65 0.00 0.00 174.74 172.45 1sxa n GLY 70 N 1.61 3.45 3.97 1.59 0.00 -1.24 -4.37 105.19 110.20 1sxa n GLY 70 Ca 0.04 -1.47 -0.21 0.00 0.00 0.00 0.00 46.02 44.38 1sxa n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sxa s GLY 71 N -0.99 1.56 0.57 -0.02 0.00 -1.22 -4.68 107.32 102.54 1sxa s GLY 71 Ca 0.00 -1.23 0.26 0.00 0.00 0.00 0.00 44.72 43.75 1sxa s GLY 71 CO 0.00 -1.10 2.13 -0.56 0.00 0.00 0.00 173.10 173.56 1sxa h PRO 72 N 0.64 0.00 -0.01 2.90 0.13 -1.87 -1.65 132.00 132.14 1sxa h PRO 72 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1sxa h PRO 72 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1sxa h PRO 72 CO 0.56 0.00 -0.22 1.63 -0.23 0.00 0.00 178.00 179.74 1sxa n LYS 73 N -4.04 0.96 -3.12 0.86 5.02 -1.26 -4.92 118.16 111.65 1sxa n LYS 73 Ca 0.01 -0.56 -0.32 0.00 -2.02 0.00 0.00 58.31 55.42 1sxa n LYS 73 Cb 0.27 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 1sxa n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sxa s ASP 74 N -2.43 6.72 0.10 4.39 1.01 -0.62 -4.99 116.67 120.84 1sxa s ASP 74 Ca 0.26 1.22 -0.05 0.00 0.71 0.00 0.00 52.55 54.69 1sxa s ASP 74 Cb 0.19 -2.35 -0.18 0.00 1.01 0.00 0.00 42.92 41.59 1sxa s ASP 74 CO 0.49 -0.22 1.22 -0.08 0.21 0.00 0.00 175.17 176.79 1sxa h GLU 75 N 2.13 0.38 -4.41 8.23 4.57 -1.91 -3.38 114.58 120.19 1sxa h GLU 75 Ca -0.48 -0.50 -0.73 0.00 -1.18 0.00 0.00 59.36 56.48 1sxa h GLU 75 Cb 1.18 0.16 -0.22 0.00 -0.16 0.00 0.00 28.75 29.71 1sxa h GLU 75 CO 0.65 1.18 0.08 -2.00 -1.18 0.00 0.00 179.01 177.75 1sxa s GLU 76 N -3.00 3.17 0.13 1.92 2.56 -1.26 -4.97 118.70 117.25 1sxa s GLU 76 Ca -0.05 -1.66 -0.18 0.00 0.00 0.00 0.00 54.97 53.07 1sxa s GLU 76 Cb 0.08 -4.36 0.05 0.00 2.00 0.00 0.00 34.13 31.89 1sxa s GLU 76 CO 0.88 -1.46 0.46 -0.98 -0.56 0.00 0.00 175.26 173.60 1sxa s ARG 77 N 1.95 1.12 0.57 4.30 1.70 -1.22 -3.64 118.95 123.73 1sxa s ARG 77 Ca 0.12 -0.61 -0.14 0.00 -0.47 0.00 0.00 55.73 54.64 1sxa s ARG 77 Cb -0.22 0.50 -0.06 0.00 -0.57 0.00 0.00 34.95 34.61 1sxa s ARG 77 CO 0.01 -0.45 1.01 -1.01 -1.08 0.00 0.00 175.30 173.79 1sxa s HIS 78 N -3.67 3.53 0.40 5.89 3.76 -1.22 -4.73 115.29 119.26 1sxa s HIS 78 Ca 0.02 1.37 0.06 0.00 -0.15 0.00 0.00 55.06 56.36 1sxa s HIS 78 Cb 0.01 -2.76 0.82 0.00 1.11 0.00 0.00 32.58 31.76 1sxa s HIS 78 CO -0.11 -0.56 2.05 0.28 -0.85 0.00 0.00 174.74 175.55 1sxa h VAL 79 N 0.24 1.11 0.00 -0.90 2.07 -1.80 -2.45 116.25 114.53 1sxa h VAL 79 Ca -0.45 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1sxa h VAL 79 Cb 1.19 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1sxa h VAL 79 CO 0.62 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.93 1sxa n GLY 80 N -1.47 -0.86 3.51 2.17 0.00 -0.82 -4.47 105.19 103.25 1sxa n GLY 80 Ca 0.04 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1sxa n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxa s ASP 81 N -2.00 6.20 0.00 1.61 1.01 -0.92 -0.68 116.67 121.89 1sxa s ASP 81 Ca 0.41 -0.76 0.19 0.00 0.71 0.00 0.00 52.55 53.10 1sxa s ASP 81 Cb 0.19 -2.50 0.52 0.00 1.01 0.00 0.00 42.92 42.14 1sxa s ASP 81 CO 0.32 -1.65 1.44 0.18 0.21 0.00 0.00 175.17 175.67 1sxa n LEU 82 N 8.64 3.60 0.00 1.23 4.77 -1.17 -3.69 117.00 130.38 1sxa n LEU 82 Ca 0.03 -1.96 0.00 0.00 -0.03 0.00 0.00 56.01 54.05 1sxa n LEU 82 Cb 0.48 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1sxa n LEU 82 CO 0.68 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 178.24 1sxa n GLY 83 N 1.28 0.58 3.25 -0.72 0.00 -1.23 -4.79 105.19 103.56 1sxa n GLY 83 Ca 0.20 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 1sxa n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sxa s ASN 84 N -4.00 2.14 0.13 1.61 0.01 -1.26 -0.90 114.94 112.68 1sxa s ASN 84 Ca 0.00 -0.74 0.08 0.00 -0.71 0.00 0.00 52.86 51.49 1sxa s ASN 84 Cb 0.00 -0.09 -0.04 0.00 0.41 0.00 0.00 41.25 41.53 1sxa s ASN 84 CO 0.00 -0.07 -0.12 0.68 -1.51 0.00 0.00 177.10 176.08 1sxa s VAL 85 N -1.70 3.14 -0.21 1.60 -7.23 -0.20 -4.90 120.40 110.91 1sxa s VAL 85 Ca 0.07 -1.48 -0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1sxa s VAL 85 Cb -0.07 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.40 1sxa s VAL 85 CO 0.04 0.03 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.83 1sxa s THR 86 N -1.36 2.44 0.04 5.32 2.01 -1.26 -1.12 115.64 121.71 1sxa s THR 86 Ca 0.21 -0.99 -0.23 0.00 0.31 0.00 0.00 61.69 61.00 1sxa s THR 86 Cb -0.10 -2.15 -0.06 0.00 0.01 0.00 0.00 72.50 70.20 1sxa s THR 86 CO 0.13 0.37 0.68 0.00 -0.69 0.00 0.00 174.62 175.11 1sxa s ALA 87 N 1.30 3.44 0.97 7.40 0.00 0.12 -4.22 121.76 130.77 1sxa s ALA 87 Ca 0.02 0.17 -0.13 0.00 0.00 0.00 0.00 51.96 52.02 1sxa s ALA 87 Cb -0.15 -2.86 0.19 0.00 0.00 0.00 0.00 23.12 20.30 1sxa s ALA 87 CO -0.09 0.15 1.13 -0.40 0.00 0.00 0.00 175.76 176.55 1sxa n ASP 88 N 2.60 0.20 -0.12 0.00 5.68 -0.92 -0.70 116.55 123.30 1sxa n ASP 88 Ca -0.05 -1.48 0.22 0.00 -0.50 0.00 0.00 54.79 52.98 1sxa n ASP 88 Cb 0.50 -0.86 0.64 0.00 -1.14 0.00 0.00 41.12 40.27 1sxa n ASP 88 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1sxa h LYS 89 N 0.00 0.13 -0.00 0.11 1.57 -1.96 0.20 116.57 116.62 1sxa h LYS 89 Ca -0.37 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1sxa h LYS 89 Cb 1.04 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1sxa h LYS 89 CO 0.27 0.09 -0.09 0.09 -0.57 0.00 0.00 179.45 179.24 1sxa n ASN 90 N -4.38 0.26 0.00 0.86 3.02 -1.26 -4.79 115.26 108.97 1sxa n ASN 90 Ca 0.15 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1sxa n ASN 90 Cb 0.72 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 1sxa n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxa n GLY 91 N 1.32 0.66 3.53 7.41 0.00 0.70 -4.66 105.19 114.15 1sxa n GLY 91 Ca 0.13 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1sxa n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sxa s VAL 92 N -2.00 4.45 -0.15 1.61 1.01 -1.26 -1.98 120.40 122.08 1sxa s VAL 92 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1sxa s VAL 92 Cb 0.00 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1sxa s VAL 92 CO 0.00 0.41 -0.04 0.00 0.00 0.00 0.00 175.10 175.47 1sxa s ALA 93 N 0.92 3.00 -0.19 5.51 0.00 0.34 -2.17 121.76 129.18 1sxa s ALA 93 Ca 0.03 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 51.04 1sxa s ALA 93 Cb -0.14 -1.53 -0.05 0.00 0.00 0.00 0.00 23.12 21.41 1sxa s ALA 93 CO 0.03 0.25 0.27 0.42 0.00 0.00 0.00 175.76 176.73 1sxa s ILE 94 N 0.25 5.30 -0.22 0.00 -1.09 -1.26 -1.52 121.20 122.67 1sxa s ILE 94 Ca -0.03 0.48 -0.11 0.00 -2.23 0.00 0.00 60.65 58.76 1sxa s ILE 94 Cb -0.14 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1sxa s ILE 94 CO 0.03 0.35 0.17 -0.69 -1.23 0.00 0.00 174.94 173.57 1sxa s VAL 95 N 0.77 5.36 -0.37 2.92 1.01 -0.24 -4.74 120.40 125.12 1sxa s VAL 95 Ca 0.14 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1sxa s VAL 95 Cb -0.13 -3.51 0.16 0.00 0.00 0.00 0.00 36.38 32.89 1sxa s VAL 95 CO 0.04 0.37 0.38 -0.62 0.00 0.00 0.00 175.10 175.28 1sxa s ASP 96 N 0.80 1.09 0.02 3.32 2.15 -1.24 -2.66 116.67 120.15 1sxa s ASP 96 Ca 0.09 -1.51 0.06 0.00 0.43 0.00 0.00 52.55 51.61 1sxa s ASP 96 Cb -0.13 0.61 -0.02 0.00 -0.30 0.00 0.00 42.92 43.08 1sxa s ASP 96 CO 0.03 -0.26 -0.17 -0.63 -0.17 0.00 0.00 175.17 173.96 1sxa s ILE 97 N 1.49 1.35 -0.13 4.11 1.01 -0.05 -4.99 121.20 123.99 1sxa s ILE 97 Ca 0.17 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.89 1sxa s ILE 97 Cb -0.15 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.16 1sxa s ILE 97 CO -0.05 0.19 -0.22 -0.69 0.00 0.00 0.00 174.94 174.17 1sxa s VAL 98 N -0.67 2.10 -0.04 2.92 1.01 -1.26 0.18 120.40 124.64 1sxa s VAL 98 Ca 0.05 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 1sxa s VAL 98 Cb -0.08 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1sxa s VAL 98 CO 0.01 0.55 0.09 -0.62 0.00 0.00 0.00 175.10 175.13 1sxa s ASP 99 N 0.68 -0.07 0.05 3.32 2.15 -0.29 -4.97 116.67 117.52 1sxa s ASP 99 Ca -0.10 0.18 0.24 0.00 0.43 0.00 0.00 52.55 53.30 1sxa s ASP 99 Cb -0.16 0.15 0.29 0.00 -0.30 0.00 0.00 42.92 42.89 1sxa s ASP 99 CO 0.01 -0.07 1.25 -0.81 -0.17 0.00 0.00 175.17 175.38 1sxa n PRO 100 N 3.44 0.17 -0.04 4.34 -0.04 -1.26 -0.85 135.00 140.76 1sxa n PRO 100 Ca -0.17 0.02 -0.22 0.00 -0.04 0.00 0.00 63.50 63.09 1sxa n PRO 100 Cb 0.57 -1.58 -0.13 0.00 -0.04 0.00 0.00 33.50 32.31 1sxa n PRO 100 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1sxa h LEU 101 N 0.00 0.24-10.15 1.53 4.07 -1.92 -3.46 115.31 105.63 1sxa h LEU 101 Ca 0.00 -0.76 -0.51 0.00 0.08 0.00 0.00 57.88 56.69 1sxa h LEU 101 Cb 0.64 -0.08 0.10 0.00 1.08 0.00 0.00 40.66 42.41 1sxa h LEU 101 CO 0.00 1.67 0.41 0.27 -1.08 0.00 0.00 178.44 179.71 1sxa s ILE 102 N -2.46 2.95 0.11 1.22 -4.36 -1.26 -4.86 121.20 112.54 1sxa s ILE 102 Ca -0.25 0.51 -0.02 0.00 -0.26 0.00 0.00 60.65 60.64 1sxa s ILE 102 Cb 0.06 -3.10 -0.04 0.00 1.25 0.00 0.00 42.46 40.63 1sxa s ILE 102 CO 0.70 -0.21 0.05 -0.55 0.24 0.00 0.00 174.94 175.17 1sxa s SER 103 N -2.09 0.33 0.00 4.36 0.15 -1.06 -4.47 113.70 110.93 1sxa s SER 103 Ca 0.72 -1.13 0.21 0.00 0.70 0.00 0.00 55.95 56.44 1sxa s SER 103 Cb -0.25 0.28 0.35 0.00 -1.71 0.00 0.00 66.02 64.70 1sxa s SER 103 CO 0.37 -0.71 1.31 0.18 1.20 0.00 0.00 173.24 175.59 1sxa n LEU 104 N -0.05 3.20 -3.91 3.45 4.77 -1.26 -1.79 117.00 121.41 1sxa n LEU 104 Ca -0.08 -1.44 -0.08 0.00 -0.03 0.00 0.00 56.01 54.38 1sxa n LEU 104 Cb 0.63 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1sxa n LEU 104 CO 0.30 0.68 0.33 -0.94 -1.33 0.00 0.00 177.39 176.42 1sxa s SER 105 N -1.42 -0.19 0.12 -1.43 1.04 -1.26 -4.38 113.70 106.18 1sxa s SER 105 Ca 0.33 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1sxa s SER 105 Cb 0.20 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.97 1sxa s SER 105 CO 0.28 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1sxa n GLY 106 N -0.42 -1.62 0.28 7.32 0.00 -1.26 -3.75 105.19 105.74 1sxa n GLY 106 Ca -0.03 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1sxa n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sxa h GLU 107 N 0.00 0.57 -0.77 1.61 5.08 -2.00 -2.63 114.58 116.44 1sxa h GLU 107 Ca 0.00 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 1sxa h GLU 107 Cb 0.00 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.07 1sxa h GLU 107 CO 0.00 0.55 0.18 0.66 -1.00 0.00 0.00 179.01 179.40 1sxa n TYR 108 N -4.31 2.00 -1.93 4.33 4.01 -1.26 -4.97 117.16 115.03 1sxa n TYR 108 Ca 0.02 -0.93 -0.41 0.00 -0.16 0.00 0.00 57.90 56.42 1sxa n TYR 108 Cb 0.21 -0.57 -0.02 0.00 -0.31 0.00 0.00 39.34 38.65 1sxa n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sxa s SER 109 N -0.73 6.54 0.00 7.72 0.15 -1.00 -2.57 113.70 123.82 1sxa s SER 109 Ca 0.46 2.83 0.20 0.00 0.70 0.00 0.00 55.95 60.14 1sxa s SER 109 Cb 0.36 -2.64 0.11 0.00 -1.71 0.00 0.00 66.02 62.14 1sxa s SER 109 CO 0.12 -0.75 1.09 2.30 1.20 0.00 0.00 173.24 177.20 1sxa n ILE 110 N 1.41 0.00 -1.88 6.45 -5.35 -0.74 -4.92 119.36 114.33 1sxa n ILE 110 Ca 0.04 -0.44 -0.41 0.00 -0.27 0.00 0.00 62.75 61.66 1sxa n ILE 110 Cb 0.40 1.37 -0.02 0.00 -1.74 0.00 0.00 39.64 39.64 1sxa n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1sxa s ILE 111 N -1.84 2.32 0.00 7.28 -1.09 -1.26 -1.53 121.20 125.07 1sxa s ILE 111 Ca 0.21 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.90 1sxa s ILE 111 Cb 0.17 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 1sxa s ILE 111 CO 0.32 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.69 1sxa n GLY 112 N 2.22 0.81 1.74 6.18 0.00 0.49 -4.99 105.19 111.63 1sxa n GLY 112 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1sxa n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxa n ARG 113 N -2.21 1.03 -4.83 1.61 1.74 -0.58 -2.49 116.66 110.92 1sxa n ARG 113 Ca 0.00 -1.51 -0.33 0.00 -0.77 0.00 0.00 57.85 55.24 1sxa n ARG 113 Cb 0.00 0.08 -0.15 0.00 -1.02 0.00 0.00 32.46 31.37 1sxa n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sxa s THR 114 N -1.05 2.79 -0.11 0.55 2.01 -1.16 -0.82 115.64 117.86 1sxa s THR 114 Ca 0.18 -0.75 -0.19 0.00 0.31 0.00 0.00 61.69 61.24 1sxa s THR 114 Cb -0.01 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1sxa s THR 114 CO 0.12 0.53 0.51 -0.32 -0.69 0.00 0.00 174.62 174.77 1sxa s MET 115 N 0.42 4.35 -0.02 4.92 1.75 -0.81 -0.19 119.30 129.71 1sxa s MET 115 Ca -0.12 0.52 0.04 0.00 -1.25 0.00 0.00 55.69 54.88 1sxa s MET 115 Cb -0.16 -3.43 -0.01 0.00 2.84 0.00 0.00 34.83 34.07 1sxa s MET 115 CO 0.06 0.16 -0.14 0.08 -0.65 0.00 0.00 175.02 174.52 1sxa s VAL 116 N 0.59 1.16 -0.15 10.11 1.01 0.04 -2.20 120.40 130.97 1sxa s VAL 116 Ca 0.28 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1sxa s VAL 116 Cb -0.16 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1sxa s VAL 116 CO 0.12 0.33 -0.12 0.54 0.00 0.00 0.00 175.10 175.97 1sxa s VAL 117 N -0.16 3.09 0.30 2.92 0.11 -0.96 -1.38 120.40 124.33 1sxa s VAL 117 Ca 0.02 -0.63 0.07 0.00 -2.93 0.00 0.00 61.98 58.50 1sxa s VAL 117 Cb -0.08 -2.32 -0.02 0.00 -1.53 0.00 0.00 36.38 32.43 1sxa s VAL 117 CO 0.00 0.51 0.33 -1.00 -3.33 0.00 0.00 175.10 171.61 1sxa s HIS 118 N 0.56 3.10 0.16 1.54 3.76 -0.27 -1.06 115.29 123.08 1sxa s HIS 118 Ca -0.07 -0.19 -0.13 0.00 -0.15 0.00 0.00 55.06 54.52 1sxa s HIS 118 Cb -0.15 -1.71 0.04 0.00 1.11 0.00 0.00 32.58 31.86 1sxa s HIS 118 CO 0.03 0.26 1.67 1.49 -0.85 0.00 0.00 174.74 177.34 1sxa h GLU 119 N 1.20 0.83 -5.60 1.40 4.81 -1.27 -3.36 114.58 112.59 1sxa h GLU 119 Ca -0.47 -0.19 -0.63 0.00 -0.13 0.00 0.00 59.36 57.93 1sxa h GLU 119 Cb 1.25 -0.11 -0.13 0.00 0.63 0.00 0.00 28.75 30.39 1sxa h GLU 119 CO 0.58 0.78 -0.58 0.15 -0.73 0.00 0.00 179.01 179.21 1sxa s LYS 120 N -5.35 2.02 0.52 1.92 1.02 0.51 -4.88 119.74 115.50 1sxa s LYS 120 Ca -0.13 -2.14 -0.22 0.00 0.02 0.00 0.00 55.97 53.50 1sxa s LYS 120 Cb 0.12 -1.64 -0.06 0.00 -0.52 0.00 0.00 37.83 35.73 1sxa s LYS 120 CO 0.80 -0.11 1.25 -2.14 -0.92 0.00 0.00 175.35 174.22 1sxa s PRO 121 N -3.75 3.39 -0.14 -1.68 0.02 -1.13 -0.98 135.00 130.71 1sxa s PRO 121 Ca 0.30 1.96 -0.21 0.00 0.02 0.00 0.00 61.00 63.08 1sxa s PRO 121 Cb 0.08 -2.26 -0.03 0.00 0.02 0.00 0.00 34.50 32.30 1sxa s PRO 121 CO 0.16 -0.91 0.60 0.34 -0.33 0.00 0.00 177.00 176.85 1sxa s ASP 122 N -1.25 6.75 0.00 2.53 -1.08 -1.26 -3.89 116.67 118.47 1sxa s ASP 122 Ca 0.69 0.90 0.17 0.00 -0.52 0.00 0.00 52.55 53.80 1sxa s ASP 122 Cb -0.33 -2.34 0.96 0.00 -1.46 0.00 0.00 42.92 39.75 1sxa s ASP 122 CO 0.39 -0.15 1.63 -0.90 0.52 0.00 0.00 175.17 176.66 1sxa n ASP 123 N 4.32 0.27 -1.67 -0.34 5.68 0.15 -4.89 116.55 120.07 1sxa n ASP 123 Ca -0.03 -1.51 -0.18 0.00 -0.50 0.00 0.00 54.79 52.57 1sxa n ASP 123 Cb 0.51 -0.02 -0.05 0.00 -1.14 0.00 0.00 41.12 40.42 1sxa n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sxa n LEU 124 N -0.59 -1.53 0.00 -2.12 4.77 -1.26 -2.12 117.00 114.15 1sxa n LEU 124 Ca 0.13 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1sxa n LEU 124 Cb 0.10 -2.58 0.00 0.00 -2.33 0.00 0.00 43.42 38.61 1sxa n LEU 124 CO 0.10 -0.63 0.00 0.61 -1.33 0.00 0.00 177.39 176.14 1sxa n GLY 125 N -0.86 1.06 1.48 -0.72 0.00 -1.24 -3.41 105.19 101.51 1sxa n GLY 125 Ca -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 1sxa n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxa n ARG 126 N -2.00 2.33 0.05 1.61 1.74 -0.90 -4.62 116.66 114.87 1sxa n ARG 126 Ca 0.00 -3.09 0.13 0.00 -0.77 0.00 0.00 57.85 54.12 1sxa n ARG 126 Cb 0.00 -1.96 0.41 0.00 -1.02 0.00 0.00 32.46 29.89 1sxa n ARG 126 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sxa n GLY 127 N -0.92 -1.52 2.17 -0.13 0.00 -1.26 -4.93 105.19 98.59 1sxa n GLY 127 Ca 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1sxa n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sxa n GLY 128 N 1.40 3.08 4.03 -0.02 0.00 -1.26 -5.00 105.19 107.43 1sxa n GLY 128 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1sxa n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxa s ASN 129 N -0.58 5.11 0.05 1.61 2.20 -1.26 -5.04 114.94 117.02 1sxa s ASN 129 Ca 0.00 -0.85 -0.20 0.00 -0.94 0.00 0.00 52.86 50.87 1sxa s ASN 129 Cb 0.00 0.29 -0.13 0.00 -2.00 0.00 0.00 41.25 39.41 1sxa s ASN 129 CO 0.00 -1.34 1.39 -0.08 -2.94 0.00 0.00 177.10 174.14 1sxa h GLU 130 N 0.18 0.35 -0.60 3.55 4.81 -2.00 -3.10 114.58 117.78 1sxa h GLU 130 Ca -0.30 -0.16 0.05 0.00 -0.13 0.00 0.00 59.36 58.82 1sxa h GLU 130 Cb 1.29 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 1sxa h GLU 130 CO 0.41 0.68 0.39 1.49 -0.73 0.00 0.00 179.01 181.25 1sxa h GLU 131 N 0.02 0.61 -0.94 1.92 4.57 -2.00 -1.78 114.58 116.97 1sxa h GLU 131 Ca 0.03 -0.04 0.13 0.00 -1.18 0.00 0.00 59.36 58.31 1sxa h GLU 131 Cb 0.59 -0.14 -0.08 0.00 -0.16 0.00 0.00 28.75 28.96 1sxa h GLU 131 CO 0.03 0.40 0.60 1.03 -1.18 0.00 0.00 179.01 179.89 1sxa h SER 132 N 0.63 0.78 -0.04 1.04 0.87 -1.88 -0.22 113.55 114.74 1sxa h SER 132 Ca 0.25 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1sxa h SER 132 Cb 0.19 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1sxa h SER 132 CO -0.07 0.41 0.00 0.35 -0.53 0.00 0.00 176.83 176.98 1sxa n THR 133 N -4.59 0.04 -0.05 2.23 -2.24 -0.67 -1.47 114.28 107.53 1sxa n THR 133 Ca 0.18 -0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1sxa n THR 133 Cb 0.41 -0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.60 1sxa n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sxa n LYS 134 N -0.36 0.27 0.00 -0.78 5.02 -0.35 -1.33 118.16 120.62 1sxa n LYS 134 Ca 0.19 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1sxa n LYS 134 Cb 0.21 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 1sxa n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sxa n THR 135 N -3.66 0.00 -1.01 -0.18 -2.24 -0.24 -4.57 114.28 102.39 1sxa n THR 135 Ca -0.21 -0.40 -0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1sxa n THR 135 Cb 0.58 1.07 -0.00 0.00 -2.10 0.00 0.00 70.33 69.88 1sxa n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sxa n GLY 136 N 0.53 0.46 2.59 3.38 0.00 -0.54 -3.58 105.19 108.03 1sxa n GLY 136 Ca 0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 1sxa n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sxa n ASN 137 N 0.11 -5.88 0.00 1.61 3.02 -1.25 -0.68 115.26 112.19 1sxa n ASN 137 Ca -0.00 -0.09 0.10 0.00 -0.03 0.00 0.00 54.58 54.56 1sxa n ASN 137 Cb 0.06 -4.86 0.48 0.00 -0.61 0.00 0.00 39.78 34.85 1sxa n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sxa n ALA 138 N -2.48 2.01 -0.20 5.41 0.00 -1.23 -4.73 120.51 119.28 1sxa n ALA 138 Ca -0.20 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1sxa n ALA 138 Cb 0.67 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1sxa n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxa n GLY 139 N 0.58 -0.80 3.72 0.00 0.00 -1.26 -0.36 105.19 107.07 1sxa n GLY 139 Ca 0.07 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 1sxa n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxa s SER 140 N -4.00 3.64 -0.44 1.61 1.04 -1.26 -4.68 113.70 109.60 1sxa s SER 140 Ca 0.00 1.76 -0.19 0.00 0.48 0.00 0.00 55.95 58.00 1sxa s SER 140 Cb 0.00 -2.39 0.03 0.00 0.10 0.00 0.00 66.02 63.76 1sxa s SER 140 CO 0.00 -2.58 0.54 -0.13 0.98 0.00 0.00 173.24 172.05 1sxa s ARG 141 N -4.84 3.15 0.04 4.02 0.52 -1.26 -1.63 118.95 118.95 1sxa s ARG 141 Ca 0.63 -0.68 -0.17 0.00 -0.52 0.00 0.00 55.73 55.00 1sxa s ARG 141 Cb -0.19 -3.99 -0.24 0.00 0.52 0.00 0.00 34.95 31.05 1sxa s ARG 141 CO 0.57 -0.98 1.14 -0.07 0.02 0.00 0.00 175.30 175.98 1sxa h LEU 142 N 9.37 0.73 -7.26 2.53 3.38 -1.41 -3.48 115.31 119.17 1sxa h LEU 142 Ca -0.26 -0.76 -0.07 0.00 0.09 0.00 0.00 57.88 56.88 1sxa h LEU 142 Cb 1.10 -0.22 -0.17 0.00 0.09 0.00 0.00 40.66 41.46 1sxa h LEU 142 CO 0.86 1.40 -0.01 0.00 0.09 0.00 0.00 178.44 180.77 1sxa s ALA 143 N -3.22 -1.23 0.25 1.53 0.00 -1.19 -4.21 121.76 113.69 1sxa s ALA 143 Ca -0.11 0.54 -0.17 0.00 0.00 0.00 0.00 51.96 52.21 1sxa s ALA 143 Cb 0.05 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.52 1sxa s ALA 143 CO 0.88 -0.47 0.59 0.00 0.00 0.00 0.00 175.76 176.76 1sxa s GLY 145 N -2.94 -0.56 0.11 0.00 0.00 -0.93 -1.11 107.32 101.88 1sxa s GLY 145 Ca 0.15 1.07 -0.29 0.00 0.00 0.00 0.00 44.72 45.65 1sxa s GLY 145 CO 0.05 0.63 0.92 0.14 0.00 0.00 0.00 173.10 174.85 1sxa s VAL 146 N -2.24 4.50 -0.33 1.40 1.01 -1.26 -1.92 120.40 121.56 1sxa s VAL 146 Ca -0.05 1.99 -0.28 0.00 0.00 0.00 0.00 61.98 63.64 1sxa s VAL 146 Cb -0.00 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.11 1sxa s VAL 146 CO -0.00 0.35 1.03 -0.63 0.00 0.00 0.00 175.10 175.84 1sxa s ILE 147 N -0.14 4.54 0.36 2.22 1.01 0.00 -4.50 121.20 124.70 1sxa s ILE 147 Ca 0.45 1.60 0.09 0.00 0.00 0.00 0.00 60.65 62.79 1sxa s ILE 147 Cb -0.23 -4.38 -0.06 0.00 0.01 0.00 0.00 42.46 37.80 1sxa s ILE 147 CO 0.29 -0.47 0.01 -0.83 0.00 0.00 0.00 174.94 173.94 1sxa s GLY 148 N 1.69 2.21 0.13 6.18 0.00 -0.64 -0.38 107.32 116.50 1sxa s GLY 148 Ca 0.43 -2.07 -0.30 0.00 0.00 0.00 0.00 44.72 42.78 1sxa s GLY 148 CO 0.16 -1.96 1.24 -0.42 0.00 0.00 0.00 173.10 172.11 1sxa s ILE 149 N -2.58 3.65 0.31 0.90 1.01 -1.26 -1.37 121.20 121.86 1sxa s ILE 149 Ca 0.35 1.28 0.09 0.00 0.00 0.00 0.00 60.65 62.37 1sxa s ILE 149 Cb 0.03 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 1sxa s ILE 149 CO 0.19 0.15 0.00 0.00 0.00 0.00 0.00 174.94 175.28 1sxa s ALA 150 N 0.51 3.18 -2.00 9.38 0.00 -0.82 -4.80 121.76 127.22 1sxa s ALA 150 Ca 0.57 -1.85 0.20 0.00 0.00 0.00 0.00 51.96 50.87 1sxa s ALA 150 Cb -0.33 -0.52 1.17 0.00 0.00 0.00 0.00 23.12 23.45 1sxa s ALA 150 CO 0.33 0.14 1.56 1.17 0.00 0.00 0.00 175.76 178.96