#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxn n THR 2 N 0.00 0.00 -3.87 0.00 -2.24 -1.26 -4.70 114.28 102.21 1sxn n THR 2 Ca 0.00 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.18 1sxn n THR 2 Cb 0.00 1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 69.10 1sxn n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sxn s LYS 3 N -0.72 0.01 0.12 -0.78 1.02 -1.26 -0.66 119.74 117.47 1sxn s LYS 3 Ca 0.01 -0.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.97 1sxn s LYS 3 Cb 0.01 0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 37.28 1sxn s LYS 3 CO 0.04 -0.00 0.06 0.00 -0.92 0.00 0.00 175.35 174.52 1sxn s ALA 4 N -0.03 0.77 0.06 5.17 0.00 0.25 -1.57 121.76 126.41 1sxn s ALA 4 Ca -0.00 -1.41 -0.15 0.00 0.00 0.00 0.00 51.96 50.40 1sxn s ALA 4 Cb -0.00 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.94 1sxn s ALA 4 CO -0.00 -0.48 0.33 0.54 0.00 0.00 0.00 175.76 176.15 1sxn s VAL 5 N -4.03 0.08 -0.09 0.00 0.11 -0.09 -0.92 120.40 115.47 1sxn s VAL 5 Ca 0.22 -0.66 -0.05 0.00 -2.93 0.00 0.00 61.98 58.56 1sxn s VAL 5 Cb 0.07 -1.01 0.04 0.00 -1.53 0.00 0.00 36.38 33.96 1sxn s VAL 5 CO 0.00 -0.36 0.22 0.00 -3.33 0.00 0.00 175.10 171.63 1sxn s VAL 7 N 1.07 4.89 -0.08 0.00 1.01 -1.26 -0.82 120.40 125.21 1sxn s VAL 7 Ca -0.08 -0.23 -0.19 0.00 0.00 0.00 0.00 61.98 61.49 1sxn s VAL 7 Cb -0.09 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1sxn s VAL 7 CO -0.07 0.11 0.51 -0.76 0.00 0.00 0.00 175.10 174.89 1sxn s LEU 8 N 1.67 4.32 0.03 3.92 1.43 0.22 -3.95 118.68 126.32 1sxn s LEU 8 Ca 0.06 0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 54.06 1sxn s LEU 8 Cb -0.17 -2.76 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 1sxn s LEU 8 CO 0.08 0.04 0.03 -0.54 0.23 0.00 0.00 176.35 176.19 1sxn s LYS 9 N 0.32 0.45 0.00 1.70 1.02 -0.21 -2.45 119.74 120.57 1sxn s LYS 9 Ca 0.28 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1sxn s LYS 9 Cb -0.16 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 1sxn s LYS 9 CO 0.13 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 1sxn n GLY 10 N 1.17 4.95 0.06 -3.33 0.00 -1.25 -1.56 105.19 105.22 1sxn n GLY 10 Ca -0.21 -1.18 0.12 0.00 0.00 0.00 0.00 46.02 44.74 1sxn n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sxn n ASP 11 N 0.00 0.68 0.00 1.61 8.00 -1.26 -4.92 116.55 120.66 1sxn n ASP 11 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1sxn n ASP 11 Cb 0.00 0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1sxn n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sxn n GLY 12 N 1.32 3.30 0.23 0.44 0.00 -1.26 -5.00 105.19 104.22 1sxn n GLY 12 Ca 0.02 -1.96 0.14 0.00 0.00 0.00 0.00 46.02 44.22 1sxn n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxn n PRO 13 N 0.00 1.32 -2.59 1.61 -0.04 -1.26 -4.88 135.00 129.15 1sxn n PRO 13 Ca 0.00 -0.46 -0.42 0.00 -0.04 0.00 0.00 63.50 62.58 1sxn n PRO 13 Cb 0.00 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.97 1sxn n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sxn s VAL 14 N -1.98 4.54 0.13 0.52 1.01 -1.26 -4.35 120.40 119.01 1sxn s VAL 14 Ca 0.41 1.83 -0.15 0.00 0.00 0.00 0.00 61.98 64.07 1sxn s VAL 14 Cb 0.20 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.44 1sxn s VAL 14 CO 0.33 0.10 0.38 0.00 0.00 0.00 0.00 175.10 175.91 1sxn s GLN 15 N 1.37 1.08 -0.05 2.72 -2.07 -0.50 -3.85 119.66 118.37 1sxn s GLN 15 Ca 0.54 -0.79 -0.31 0.00 -1.82 0.00 0.00 55.36 52.98 1sxn s GLN 15 Cb -0.23 0.45 0.12 0.00 -1.09 0.00 0.00 33.01 32.26 1sxn s GLN 15 CO 0.26 -0.42 1.35 0.20 -1.32 0.00 0.00 175.29 175.36 1sxn s GLY 16 N -2.83 -0.35 -0.08 2.60 0.00 -1.02 -0.39 107.32 105.25 1sxn s GLY 16 Ca 0.05 0.55 0.02 0.00 0.00 0.00 0.00 44.72 45.34 1sxn s GLY 16 CO -0.10 2.39 -0.13 -1.59 0.00 0.00 0.00 173.10 173.66 1sxn s THR 17 N -2.14 1.27 -0.11 0.90 2.01 -0.95 0.70 115.64 117.32 1sxn s THR 17 Ca 0.21 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.68 1sxn s THR 17 Cb 0.04 -1.17 -0.01 0.00 0.01 0.00 0.00 72.50 71.37 1sxn s THR 17 CO -0.04 0.39 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.50 1sxn s ILE 18 N 0.80 2.84 0.04 1.82 -1.09 0.00 -2.64 121.20 122.98 1sxn s ILE 18 Ca -0.11 -0.75 0.05 0.00 -2.23 0.00 0.00 60.65 57.61 1sxn s ILE 18 Cb -0.15 -2.16 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 1sxn s ILE 18 CO 0.02 0.54 -0.10 -1.00 -1.23 0.00 0.00 174.94 173.17 1sxn s HIS 19 N 0.21 2.78 -0.04 3.97 3.76 0.41 -0.58 115.29 125.80 1sxn s HIS 19 Ca -0.10 -0.12 0.04 0.00 -0.15 0.00 0.00 55.06 54.73 1sxn s HIS 19 Cb -0.16 -1.53 -0.00 0.00 1.11 0.00 0.00 32.58 32.00 1sxn s HIS 19 CO 0.06 0.36 -0.15 -0.06 -0.85 0.00 0.00 174.74 174.11 1sxn s PHE 20 N -1.05 1.46 -0.03 1.40 0.40 -0.09 -0.53 117.98 119.53 1sxn s PHE 20 Ca 0.18 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 1sxn s PHE 20 Cb -0.11 -0.99 0.02 0.00 0.51 0.00 0.00 43.02 42.45 1sxn s PHE 20 CO 0.09 -0.14 -0.01 -2.00 0.70 0.00 0.00 175.22 173.86 1sxn s GLU 21 N 0.06 0.37 -0.31 0.44 2.12 -0.33 -0.58 118.70 120.47 1sxn s GLU 21 Ca -0.03 0.01 -0.29 0.00 0.36 0.00 0.00 54.97 55.02 1sxn s GLU 21 Cb -0.10 -0.49 0.01 0.00 0.26 0.00 0.00 34.13 33.81 1sxn s GLU 21 CO 0.01 -0.09 1.11 0.00 -0.54 0.00 0.00 175.26 175.76 1sxn s ALA 22 N 0.79 3.49 -0.23 6.30 0.00 0.16 -1.35 121.76 130.92 1sxn s ALA 22 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1sxn s ALA 22 Cb -0.11 -3.68 0.06 0.00 0.00 0.00 0.00 23.12 19.38 1sxn s ALA 22 CO -0.01 -1.50 -0.03 0.15 0.00 0.00 0.00 175.76 174.36 1sxn s LYS 23 N 3.71 1.41 5.49 0.00 1.02 -0.53 -4.96 119.74 125.88 1sxn s LYS 23 Ca 0.47 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1sxn s LYS 23 Cb -0.13 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 1sxn s LYS 23 CO 0.16 -0.62 0.00 0.41 -0.92 0.00 0.00 175.35 174.39 1sxn n GLY 24 N 4.75 0.78 1.35 -3.33 0.00 -1.26 -1.90 105.19 105.58 1sxn n GLY 24 Ca -0.11 -0.71 0.10 0.00 0.00 0.00 0.00 46.02 45.30 1sxn n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sxn n ASP 25 N 5.39 4.17 -4.76 1.61 8.00 -1.26 -4.97 116.55 124.73 1sxn n ASP 25 Ca 0.00 -2.22 -0.31 0.00 0.71 0.00 0.00 54.79 52.97 1sxn n ASP 25 Cb 0.00 -0.50 -0.07 0.00 -0.02 0.00 0.00 41.12 40.53 1sxn n ASP 25 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1sxn s THR 26 N -1.41 1.34 -0.12 -3.53 -1.32 -0.80 -5.02 115.64 104.78 1sxn s THR 26 Ca 0.47 -1.93 0.02 0.00 -1.21 0.00 0.00 61.69 59.03 1sxn s THR 26 Cb 0.27 -2.27 0.01 0.00 -1.51 0.00 0.00 72.50 69.00 1sxn s THR 26 CO 0.27 0.00 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.81 1sxn s VAL 27 N -2.84 1.70 -0.22 5.08 1.01 -1.23 -1.45 120.40 122.45 1sxn s VAL 27 Ca 0.13 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 1sxn s VAL 27 Cb 0.02 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1sxn s VAL 27 CO 0.07 0.48 0.09 -0.69 0.00 0.00 0.00 175.10 175.05 1sxn s VAL 28 N 0.89 4.78 -0.20 2.92 1.01 -0.46 -1.89 120.40 127.45 1sxn s VAL 28 Ca -0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1sxn s VAL 28 Cb -0.15 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1sxn s VAL 28 CO -0.01 0.39 -0.06 -0.69 0.00 0.00 0.00 175.10 174.73 1sxn s VAL 29 N 0.92 3.31 0.24 2.92 1.01 0.12 -1.19 120.40 127.74 1sxn s VAL 29 Ca 0.05 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1sxn s VAL 29 Cb -0.14 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1sxn s VAL 29 CO 0.03 0.45 0.06 0.42 0.00 0.00 0.00 175.10 176.06 1sxn s THR 30 N 1.19 0.70 -5.00 3.92 -4.23 0.31 -0.60 115.64 111.93 1sxn s THR 30 Ca 0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1sxn s THR 30 Cb -0.14 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1sxn s THR 30 CO -0.02 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 1sxn n GLY 31 N -0.44 0.37 3.42 3.99 0.00 -1.00 -0.45 105.19 111.08 1sxn n GLY 31 Ca -0.02 -1.71 -0.16 0.00 0.00 0.00 0.00 46.02 44.13 1sxn n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxn s SER 32 N -4.00 -0.50 -0.03 1.61 1.04 -1.08 -0.02 113.70 110.72 1sxn s SER 32 Ca 0.00 0.43 0.03 0.00 0.48 0.00 0.00 55.95 56.89 1sxn s SER 32 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1sxn s SER 32 CO 0.00 -0.60 -0.10 -0.63 0.98 0.00 0.00 173.24 172.89 1sxn s ILE 33 N -1.57 0.84 0.30 -1.02 1.01 -0.14 -2.24 121.20 118.38 1sxn s ILE 33 Ca -0.10 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.23 1sxn s ILE 33 Cb -0.01 -0.75 -0.06 0.00 0.01 0.00 0.00 42.46 41.65 1sxn s ILE 33 CO 0.05 0.26 -0.04 0.42 0.00 0.00 0.00 174.94 175.63 1sxn s THR 34 N 0.23 1.69 0.00 2.92 -4.23 0.48 -0.31 115.64 116.41 1sxn s THR 34 Ca -0.04 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 1sxn s THR 34 Cb -0.09 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1sxn s THR 34 CO 0.01 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 1sxn n GLY 35 N -0.65 0.71 3.92 3.99 0.00 -0.95 -1.40 105.19 110.80 1sxn n GLY 35 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1sxn n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxn s LEU 36 N 0.00 4.04 0.55 0.99 1.43 -0.66 -4.34 118.68 120.69 1sxn s LEU 36 Ca 0.00 0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 53.52 1sxn s LEU 36 Cb 0.00 -3.43 -0.06 0.00 0.03 0.00 0.00 46.19 42.74 1sxn s LEU 36 CO 0.00 -0.23 1.03 0.42 0.23 0.00 0.00 176.35 177.81 1sxn s THR 37 N -2.17 3.99 0.62 5.49 -4.23 -1.26 -3.73 115.64 114.36 1sxn s THR 37 Ca 0.42 1.02 -0.18 0.00 -1.18 0.00 0.00 61.69 61.77 1sxn s THR 37 Cb -0.10 -3.48 -0.05 0.00 1.34 0.00 0.00 72.50 70.20 1sxn s THR 37 CO 0.33 -0.49 0.82 1.21 -0.54 0.00 0.00 174.62 175.95 1sxn n GLU 38 N -1.66 0.70 0.00 3.99 2.13 -1.26 -4.57 120.64 119.97 1sxn n GLU 38 Ca 0.08 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.18 1sxn n GLU 38 Cb 0.53 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.21 1sxn n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sxn n GLY 39 N 1.44 -2.17 3.81 8.31 0.00 0.21 -4.85 105.19 111.93 1sxn n GLY 39 Ca 0.13 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.65 1sxn n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxn s ASP 40 N -1.94 7.11 -0.03 1.61 1.01 -1.26 -0.17 116.67 123.00 1sxn s ASP 40 Ca 0.00 1.62 -0.01 0.00 0.71 0.00 0.00 52.55 54.87 1sxn s ASP 40 Cb 0.00 -2.50 0.03 0.00 1.01 0.00 0.00 42.92 41.46 1sxn s ASP 40 CO 0.00 -0.12 0.04 -1.00 0.21 0.00 0.00 175.17 174.31 1sxn s HIS 41 N -1.75 0.03 0.48 4.23 3.76 -0.55 -2.74 115.29 118.75 1sxn s HIS 41 Ca 0.51 0.19 -0.23 0.00 -0.15 0.00 0.00 55.06 55.38 1sxn s HIS 41 Cb -0.15 -0.31 -0.08 0.00 1.11 0.00 0.00 32.58 33.15 1sxn s HIS 41 CO 0.20 -0.13 1.22 0.41 -0.85 0.00 0.00 174.74 175.60 1sxn n GLY 42 N 4.56 0.40 2.60 -2.22 0.00 -0.51 -1.29 105.19 108.73 1sxn n GLY 42 Ca -0.20 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 1sxn n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sxn s PHE 43 N -1.28 0.20 0.09 1.61 5.36 0.20 -0.88 117.98 123.29 1sxn s PHE 43 Ca 0.66 -0.37 0.00 0.00 -0.96 0.00 0.00 56.93 56.26 1sxn s PHE 43 Cb -0.47 -0.71 -0.04 0.00 -0.34 0.00 0.00 43.02 41.45 1sxn s PHE 43 CO 0.54 -0.55 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.71 1sxn s HIS 44 N 2.14 0.79 -0.25 10.12 3.76 -0.74 -2.77 115.29 128.34 1sxn s HIS 44 Ca 0.03 -1.03 -0.12 0.00 -0.15 0.00 0.00 55.06 53.79 1sxn s HIS 44 Cb -0.16 -0.49 -0.05 0.00 1.11 0.00 0.00 32.58 33.00 1sxn s HIS 44 CO -0.13 -0.29 0.25 0.08 -0.85 0.00 0.00 174.74 173.80 1sxn s VAL 45 N -3.79 5.28 0.21 -0.90 1.01 0.00 -0.75 120.40 121.46 1sxn s VAL 45 Ca 0.13 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1sxn s VAL 45 Cb 0.07 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1sxn s VAL 45 CO -0.05 0.26 0.41 -1.00 0.00 0.00 0.00 175.10 174.72 1sxn s HIS 46 N 1.52 3.48 0.18 5.22 3.76 0.12 -0.71 115.29 128.85 1sxn s HIS 46 Ca 0.11 0.39 -0.13 0.00 -0.15 0.00 0.00 55.06 55.28 1sxn s HIS 46 Cb -0.15 -1.89 0.12 0.00 1.11 0.00 0.00 32.58 31.77 1sxn s HIS 46 CO 0.08 0.36 1.81 0.37 -0.85 0.00 0.00 174.74 176.51 1sxn h GLN 47 N 2.04 0.58 -5.98 1.40 4.15 -1.02 -3.00 115.11 113.28 1sxn h GLN 47 Ca -0.48 -0.03 -0.66 0.00 0.77 0.00 0.00 58.65 58.25 1sxn h GLN 47 Cb 1.19 -0.13 -0.11 0.00 0.21 0.00 0.00 27.48 28.64 1sxn h GLN 47 CO 0.68 0.38 -0.58 -0.06 -1.93 0.00 0.00 178.83 177.32 1sxn s PHE 48 N -6.13 3.27 -0.75 3.99 0.08 -0.27 -4.71 117.98 113.46 1sxn s PHE 48 Ca -0.13 0.22 -0.02 0.00 0.12 0.00 0.00 56.93 57.11 1sxn s PHE 48 Cb 0.13 -1.76 0.27 0.00 -0.57 0.00 0.00 43.02 41.10 1sxn s PHE 48 CO 0.74 0.54 2.22 0.41 -0.10 0.00 0.00 175.22 179.04 1sxn n GLY 49 N 1.42 5.21 3.25 4.36 0.00 -1.05 -3.22 105.19 115.16 1sxn n GLY 49 Ca -0.15 -2.32 -0.41 0.00 0.00 0.00 0.00 46.02 43.14 1sxn n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sxn s ASP 50 N -0.71 5.68 -0.24 1.61 -1.08 -1.26 -4.93 116.67 115.74 1sxn s ASP 50 Ca 0.54 -1.66 0.14 0.00 -0.52 0.00 0.00 52.55 51.05 1sxn s ASP 50 Cb 0.43 -2.00 0.78 0.00 -1.46 0.00 0.00 42.92 40.66 1sxn s ASP 50 CO -0.37 -0.60 1.72 -3.20 0.52 0.00 0.00 175.17 173.24 1sxn n ASN 51 N 4.92 5.42 0.21 -0.34 2.85 -1.26 -3.27 115.26 123.79 1sxn n ASN 51 Ca -0.09 -2.99 0.06 0.00 -0.11 0.00 0.00 54.58 51.45 1sxn n ASN 51 Cb 0.42 -0.68 0.46 0.00 1.24 0.00 0.00 39.78 41.22 1sxn n ASN 51 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1sxn h THR 52 N 3.58 1.03 -1.32 -0.44 1.35 -1.92 -2.66 112.91 112.52 1sxn h THR 52 Ca 0.03 -1.07 -0.60 0.00 -0.55 0.00 0.00 66.41 64.22 1sxn h THR 52 Cb 1.96 1.61 -0.40 0.00 -1.73 0.00 0.00 68.15 69.59 1sxn h THR 52 CO 0.49 0.29 -0.53 0.00 -0.25 0.00 0.00 175.52 175.52 1sxn n GLN 53 N -3.92 3.39 0.00 4.72 6.02 -1.26 -5.03 117.38 121.30 1sxn n GLN 53 Ca -0.02 -4.27 0.00 0.00 -0.01 0.00 0.00 57.00 52.70 1sxn n GLN 53 Cb 0.37 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 29.36 1sxn n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sxn n GLY 54 N -0.57 1.06 0.00 1.08 0.00 -1.01 -2.55 105.19 103.21 1sxn n GLY 54 Ca 0.43 -0.74 0.14 0.00 0.00 0.00 0.00 46.02 45.85 1sxn n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxn h THR 56 N 0.02 1.23 0.00 0.00 2.02 -1.82 -1.63 112.91 112.74 1sxn h THR 56 Ca 0.00 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1sxn h THR 56 Cb 0.46 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1sxn h THR 56 CO 0.00 0.32 0.00 -1.54 0.37 0.00 0.00 175.52 174.67 1sxn n SER 57 N -4.23 0.00 0.13 4.18 3.41 -1.24 -3.17 113.62 112.70 1sxn n SER 57 Ca 0.02 -1.42 0.12 0.00 -0.26 0.00 0.00 58.87 57.33 1sxn n SER 57 Cb 0.29 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.72 1sxn n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sxn n ALA 58 N -0.74 1.78 -0.01 7.33 0.00 -0.61 -4.36 120.51 123.89 1sxn n ALA 58 Ca 0.11 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1sxn n ALA 58 Cb 0.05 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1sxn n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxn n GLY 59 N 0.25 -1.99 2.33 0.00 0.00 -1.19 -1.11 105.19 103.48 1sxn n GLY 59 Ca 0.03 -1.40 -0.18 0.00 0.00 0.00 0.00 46.02 44.46 1sxn n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxn n PRO 60 N -0.01 -1.28 -1.98 1.61 -0.04 -1.26 -4.63 135.00 127.42 1sxn n PRO 60 Ca 0.00 -1.22 -0.38 0.00 -0.04 0.00 0.00 63.50 61.87 1sxn n PRO 60 Cb 0.00 -0.90 0.02 0.00 -0.04 0.00 0.00 33.50 32.58 1sxn n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sxn s HIS 61 N -2.63 2.51 0.03 0.54 3.76 -1.26 -1.04 115.29 117.20 1sxn s HIS 61 Ca 0.46 1.44 -0.30 0.00 -0.15 0.00 0.00 55.06 56.51 1sxn s HIS 61 Cb -0.02 -3.62 -0.07 0.00 1.11 0.00 0.00 32.58 29.98 1sxn s HIS 61 CO 0.33 -2.33 1.53 0.12 -0.85 0.00 0.00 174.74 173.54 1sxn s PHE 62 N -1.41 2.61 -0.42 1.40 5.36 0.11 -4.47 117.98 121.17 1sxn s PHE 62 Ca 0.69 0.56 0.08 0.00 -0.96 0.00 0.00 56.93 57.30 1sxn s PHE 62 Cb -0.35 -3.81 0.27 0.00 -0.34 0.00 0.00 43.02 38.79 1sxn s PHE 62 CO 0.42 -3.16 0.70 -1.71 -1.46 0.00 0.00 175.22 170.01 1sxn n ASN 63 N 5.57 -0.64 0.26 6.13 5.15 -1.26 -1.61 115.26 128.85 1sxn n ASN 63 Ca 0.15 -2.99 0.11 0.00 -0.60 0.00 0.00 54.58 51.24 1sxn n ASN 63 Cb 0.42 0.17 0.69 0.00 -0.53 0.00 0.00 39.78 40.53 1sxn n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1sxn h PRO 64 N 3.71 0.00 -0.47 1.20 0.13 -1.94 -2.35 132.00 132.27 1sxn h PRO 64 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1sxn h PRO 64 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1sxn h PRO 64 CO 0.41 0.12 0.00 1.28 -0.23 0.00 0.00 178.00 179.57 1sxn n LEU 65 N -3.92 2.76 -3.82 1.56 4.77 -1.26 -4.97 117.00 112.12 1sxn n LEU 65 Ca -0.02 -1.34 -0.26 0.00 -0.03 0.00 0.00 56.01 54.36 1sxn n LEU 65 Cb 0.21 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.99 1sxn n LEU 65 CO 0.32 0.67 -0.16 -1.20 -1.33 0.00 0.00 177.39 175.69 1sxn n SER 66 N 1.01 -1.95 -4.19 -1.43 7.64 -0.89 -5.00 113.62 108.81 1sxn n SER 66 Ca 0.18 -0.98 -0.17 0.00 1.01 0.00 0.00 58.87 58.91 1sxn n SER 66 Cb 0.45 -3.34 0.03 0.00 -1.01 0.00 0.00 64.21 60.34 1sxn n SER 66 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1sxn n LYS 67 N -4.31 0.79 -2.82 1.43 5.02 -1.26 -5.12 118.16 111.88 1sxn n LYS 67 Ca -0.24 -2.48 -0.22 0.00 -2.02 0.00 0.00 58.31 53.34 1sxn n LYS 67 Cb 0.66 0.04 0.02 0.00 -0.02 0.00 0.00 35.03 35.73 1sxn n LYS 67 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1sxn s LYS 68 N -3.85 2.82 0.39 1.97 1.02 -1.26 -4.78 119.74 116.05 1sxn s LYS 68 Ca 0.35 -0.63 -0.26 0.00 0.02 0.00 0.00 55.97 55.45 1sxn s LYS 68 Cb -0.03 -2.52 -0.09 0.00 -0.52 0.00 0.00 37.83 34.67 1sxn s LYS 68 CO 0.22 -0.48 1.32 -1.58 -0.92 0.00 0.00 175.35 173.91 1sxn s HIS 69 N -2.65 2.83 0.02 3.18 5.65 -0.20 -3.17 115.29 120.96 1sxn s HIS 69 Ca 0.53 1.39 -0.00 0.00 0.25 0.00 0.00 55.06 57.23 1sxn s HIS 69 Cb -0.10 -3.70 0.00 0.00 -1.18 0.00 0.00 32.58 27.60 1sxn s HIS 69 CO 0.38 -2.12 0.03 0.41 -0.65 0.00 0.00 174.74 172.79 1sxn n GLY 70 N 0.67 2.66 3.98 1.59 0.00 -1.25 -4.24 105.19 108.60 1sxn n GLY 70 Ca 0.03 -1.25 -0.20 0.00 0.00 0.00 0.00 46.02 44.59 1sxn n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sxn s GLY 71 N -1.11 1.83 0.49 -0.02 0.00 -1.22 -4.60 107.32 102.69 1sxn s GLY 71 Ca 0.01 -1.37 0.21 0.00 0.00 0.00 0.00 44.72 43.56 1sxn s GLY 71 CO 0.01 -1.12 2.06 -0.56 0.00 0.00 0.00 173.10 173.49 1sxn h PRO 72 N 0.21 0.00 -0.01 2.90 0.13 -1.89 -1.80 132.00 131.54 1sxn h PRO 72 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1sxn h PRO 72 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1sxn h PRO 72 CO 0.51 0.13 -0.17 1.63 -0.23 0.00 0.00 178.00 179.87 1sxn n LYS 73 N -4.06 0.99 -2.76 0.86 4.01 -1.26 -4.89 118.16 111.05 1sxn n LYS 73 Ca -0.02 -0.53 -0.31 0.00 -0.51 0.00 0.00 58.31 56.93 1sxn n LYS 73 Cb 0.21 -1.49 -0.04 0.00 -0.51 0.00 0.00 35.03 33.21 1sxn n LYS 73 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1sxn s ASP 74 N -2.38 6.61 0.06 4.39 1.01 -0.68 -4.97 116.67 120.72 1sxn s ASP 74 Ca 0.29 1.32 -0.15 0.00 0.71 0.00 0.00 52.55 54.71 1sxn s ASP 74 Cb 0.20 -2.40 -0.22 0.00 1.01 0.00 0.00 42.92 41.51 1sxn s ASP 74 CO 0.47 -0.42 1.19 -0.08 0.21 0.00 0.00 175.17 176.53 1sxn h GLU 75 N 1.34 0.64 -5.24 8.23 4.57 -1.90 -3.39 114.58 118.83 1sxn h GLU 75 Ca -0.47 -0.66 -0.65 0.00 -1.18 0.00 0.00 59.36 56.40 1sxn h GLU 75 Cb 1.18 0.18 -0.16 0.00 -0.16 0.00 0.00 28.75 29.79 1sxn h GLU 75 CO 0.63 1.26 0.35 -2.00 -1.18 0.00 0.00 179.01 178.06 1sxn s GLU 76 N -3.37 3.13 0.19 1.92 2.56 -1.26 -4.95 118.70 116.94 1sxn s GLU 76 Ca -0.11 -0.86 -0.22 0.00 0.00 0.00 0.00 54.97 53.78 1sxn s GLU 76 Cb 0.06 -4.18 0.05 0.00 2.00 0.00 0.00 34.13 32.06 1sxn s GLU 76 CO 0.89 -1.58 0.63 -0.98 -0.56 0.00 0.00 175.26 173.67 1sxn s ARG 77 N 3.43 1.43 0.52 4.30 1.70 -1.19 -3.80 118.95 125.34 1sxn s ARG 77 Ca 0.20 -0.63 -0.10 0.00 -0.47 0.00 0.00 55.73 54.72 1sxn s ARG 77 Cb -0.18 0.59 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 1sxn s ARG 77 CO 0.11 -0.63 0.89 -1.01 -1.08 0.00 0.00 175.30 173.58 1sxn s HIS 78 N -3.80 3.55 0.32 5.89 3.76 -1.20 -4.62 115.29 119.18 1sxn s HIS 78 Ca 0.04 1.11 0.02 0.00 -0.15 0.00 0.00 55.06 56.08 1sxn s HIS 78 Cb -0.02 -2.54 0.60 0.00 1.11 0.00 0.00 32.58 31.73 1sxn s HIS 78 CO -0.07 -0.40 1.92 0.28 -0.85 0.00 0.00 174.74 175.63 1sxn h VAL 79 N 0.30 1.05 0.00 -0.90 2.07 -1.84 -2.03 116.25 114.90 1sxn h VAL 79 Ca -0.46 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1sxn h VAL 79 Cb 1.19 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1sxn h VAL 79 CO 0.62 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.99 1sxn n GLY 80 N -1.41 0.56 3.38 2.17 0.00 -0.64 -4.56 105.19 104.69 1sxn n GLY 80 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 1sxn n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxn s ASP 81 N -0.43 6.35 -0.15 1.61 1.01 -0.77 -0.82 116.67 123.48 1sxn s ASP 81 Ca 0.00 -1.74 0.14 0.00 0.71 0.00 0.00 52.55 51.66 1sxn s ASP 81 Cb 0.00 -2.30 0.67 0.00 1.01 0.00 0.00 42.92 42.30 1sxn s ASP 81 CO 0.00 -1.01 1.55 0.18 0.21 0.00 0.00 175.17 176.10 1sxn n LEU 82 N 5.95 4.63 0.00 1.23 4.77 -1.11 -3.69 117.00 128.78 1sxn n LEU 82 Ca -0.01 -2.34 0.00 0.00 -0.03 0.00 0.00 56.01 53.63 1sxn n LEU 82 Cb 0.44 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1sxn n LEU 82 CO 0.53 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 1sxn n GLY 83 N 0.83 1.60 3.40 -0.72 0.00 -1.24 -4.75 105.19 104.32 1sxn n GLY 83 Ca 0.23 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 1sxn n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sxn s ASN 84 N -4.00 3.34 0.15 1.61 0.01 -1.26 -0.63 114.94 114.16 1sxn s ASN 84 Ca 0.00 -0.79 0.06 0.00 -0.71 0.00 0.00 52.86 51.42 1sxn s ASN 84 Cb 0.00 -0.23 -0.04 0.00 0.41 0.00 0.00 41.25 41.39 1sxn s ASN 84 CO 0.00 0.16 0.01 0.68 -1.51 0.00 0.00 177.10 176.43 1sxn s VAL 85 N -1.27 3.85 -0.17 1.60 -7.23 -0.41 -4.89 120.40 111.88 1sxn s VAL 85 Ca 0.16 -1.26 0.01 0.00 -1.81 0.00 0.00 61.98 59.08 1sxn s VAL 85 Cb -0.09 -2.91 0.01 0.00 0.56 0.00 0.00 36.38 33.95 1sxn s VAL 85 CO 0.07 -0.04 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.76 1sxn s THR 86 N -1.59 2.28 0.01 5.32 2.01 -1.26 -1.48 115.64 120.93 1sxn s THR 86 Ca 0.27 -0.88 -0.16 0.00 0.31 0.00 0.00 61.69 61.23 1sxn s THR 86 Cb -0.10 -1.96 -0.06 0.00 0.01 0.00 0.00 72.50 70.39 1sxn s THR 86 CO 0.19 0.53 0.46 0.00 -0.69 0.00 0.00 174.62 175.10 1sxn s ALA 87 N 1.12 3.66 1.01 7.40 0.00 0.76 -4.29 121.76 131.41 1sxn s ALA 87 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.78 1sxn s ALA 87 Cb -0.14 -2.47 0.05 0.00 0.00 0.00 0.00 23.12 20.57 1sxn s ALA 87 CO -0.07 0.43 0.29 -0.40 0.00 0.00 0.00 175.76 176.01 1sxn n ASP 88 N 1.90 -0.21 0.20 0.00 5.68 0.13 -0.62 116.55 123.63 1sxn n ASP 88 Ca -0.13 -1.02 0.13 0.00 -0.50 0.00 0.00 54.79 53.27 1sxn n ASP 88 Cb 0.52 -0.23 0.73 0.00 -1.14 0.00 0.00 41.12 41.00 1sxn n ASP 88 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1sxn h LYS 89 N 0.00 0.00 -0.26 0.11 5.09 -1.96 0.37 116.57 119.92 1sxn h LYS 89 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.64 1sxn h LYS 89 Cb 0.27 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.60 1sxn h LYS 89 CO 0.07 0.00 0.00 0.09 -2.09 0.00 0.00 179.45 177.52 1sxn n ASN 90 N -4.26 2.02 0.00 7.07 3.02 -1.26 -4.81 115.26 117.04 1sxn n ASN 90 Ca 0.00 -1.82 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 1sxn n ASN 90 Cb 0.24 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1sxn n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxn n GLY 91 N 1.18 0.53 3.67 7.41 0.00 0.12 -4.62 105.19 113.48 1sxn n GLY 91 Ca 0.16 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1sxn n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sxn s VAL 92 N -2.00 5.33 -0.11 1.61 1.01 -1.26 -1.66 120.40 123.32 1sxn s VAL 92 Ca 0.00 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1sxn s VAL 92 Cb 0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1sxn s VAL 92 CO 0.00 0.37 -0.19 0.00 0.00 0.00 0.00 175.10 175.28 1sxn s ALA 93 N 0.92 2.39 -0.24 5.51 0.00 0.57 -0.69 121.76 130.22 1sxn s ALA 93 Ca 0.07 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 1sxn s ALA 93 Cb -0.13 -0.99 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 1sxn s ALA 93 CO 0.03 0.28 0.16 0.42 0.00 0.00 0.00 175.76 176.66 1sxn s ILE 94 N 0.30 5.36 -0.18 0.00 -1.09 -1.26 -0.97 121.20 123.35 1sxn s ILE 94 Ca -0.14 0.18 -0.09 0.00 -2.23 0.00 0.00 60.65 58.37 1sxn s ILE 94 Cb -0.17 -3.50 -0.05 0.00 -1.58 0.00 0.00 42.46 37.17 1sxn s ILE 94 CO 0.07 0.35 0.11 -0.69 -1.23 0.00 0.00 174.94 173.55 1sxn s VAL 95 N 1.04 5.24 -0.33 2.92 1.01 0.97 -4.77 120.40 126.47 1sxn s VAL 95 Ca 0.08 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.21 1sxn s VAL 95 Cb -0.13 -3.37 0.16 0.00 0.00 0.00 0.00 36.38 33.04 1sxn s VAL 95 CO 0.04 0.47 0.40 -0.62 0.00 0.00 0.00 175.10 175.40 1sxn s ASP 96 N 0.17 0.67 0.01 3.32 2.15 -1.23 -2.39 116.67 119.37 1sxn s ASP 96 Ca 0.08 -0.93 0.03 0.00 0.43 0.00 0.00 52.55 52.16 1sxn s ASP 96 Cb -0.11 0.90 -0.01 0.00 -0.30 0.00 0.00 42.92 43.40 1sxn s ASP 96 CO -0.01 -0.30 -0.10 -0.63 -0.17 0.00 0.00 175.17 173.96 1sxn s ILE 97 N 2.03 0.80 -0.15 4.11 1.01 0.23 -4.97 121.20 124.26 1sxn s ILE 97 Ca 0.13 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1sxn s ILE 97 Cb -0.13 -0.71 -0.00 0.00 0.01 0.00 0.00 42.46 41.63 1sxn s ILE 97 CO -0.18 0.11 -0.15 -0.69 0.00 0.00 0.00 174.94 174.03 1sxn s VAL 98 N -0.46 2.69 -0.04 2.92 1.01 -1.26 0.16 120.40 125.42 1sxn s VAL 98 Ca 0.02 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1sxn s VAL 98 Cb -0.05 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 1sxn s VAL 98 CO 0.00 0.52 -0.15 -0.62 0.00 0.00 0.00 175.10 174.85 1sxn s ASP 99 N 0.76 1.89 0.00 3.32 2.15 -0.79 -5.02 116.67 118.98 1sxn s ASP 99 Ca -0.06 -0.31 0.27 0.00 0.43 0.00 0.00 52.55 52.89 1sxn s ASP 99 Cb -0.15 -0.52 0.94 0.00 -0.30 0.00 0.00 42.92 42.89 1sxn s ASP 99 CO 0.01 0.13 1.70 -0.81 -0.17 0.00 0.00 175.17 176.02 1sxn n PRO 100 N 3.18 0.28 -0.07 4.34 -0.04 -1.26 -3.58 135.00 137.85 1sxn n PRO 100 Ca -0.18 -0.11 -0.07 0.00 -0.04 0.00 0.00 63.50 63.09 1sxn n PRO 100 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 1sxn n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1sxn n LEU 101 N -1.26 0.39 -4.84 1.53 4.77 -1.26 -4.98 117.00 111.34 1sxn n LEU 101 Ca 0.09 -0.01 -0.30 0.00 -0.03 0.00 0.00 56.01 55.76 1sxn n LEU 101 Cb 0.32 0.20 0.06 0.00 -2.33 0.00 0.00 43.42 41.67 1sxn n LEU 101 CO 0.29 0.38 0.73 0.27 -1.33 0.00 0.00 177.39 177.72 1sxn s ILE 102 N -2.32 3.63 0.30 -0.08 -4.36 -1.26 -4.83 121.20 112.28 1sxn s ILE 102 Ca -0.09 0.53 -0.13 0.00 -0.26 0.00 0.00 60.65 60.70 1sxn s ILE 102 Cb 0.04 -3.39 0.01 0.00 1.25 0.00 0.00 42.46 40.37 1sxn s ILE 102 CO 0.52 -0.69 0.59 -0.55 0.24 0.00 0.00 174.94 175.04 1sxn s SER 103 N -4.08 0.08 -0.01 4.36 0.15 -0.95 -4.67 113.70 108.58 1sxn s SER 103 Ca 0.59 -1.01 0.11 0.00 0.70 0.00 0.00 55.95 56.33 1sxn s SER 103 Cb -0.13 0.68 0.30 0.00 -1.71 0.00 0.00 66.02 65.17 1sxn s SER 103 CO 0.53 -1.32 1.25 0.18 1.20 0.00 0.00 173.24 175.09 1sxn n LEU 104 N -0.46 2.93 -3.51 3.45 4.77 -1.26 -1.64 117.00 121.28 1sxn n LEU 104 Ca -0.03 -2.05 -0.15 0.00 -0.03 0.00 0.00 56.01 53.74 1sxn n LEU 104 Cb 0.61 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1sxn n LEU 104 CO 0.23 0.72 0.50 -0.94 -1.33 0.00 0.00 177.39 176.57 1sxn s SER 105 N -1.05 -0.58 0.00 -1.43 1.04 -1.26 -4.29 113.70 106.13 1sxn s SER 105 Ca 0.23 0.53 0.00 0.00 0.48 0.00 0.00 55.95 57.19 1sxn s SER 105 Cb 0.13 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1sxn s SER 105 CO 0.15 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1sxn n GLY 106 N 0.63 -1.79 0.31 7.32 0.00 -1.26 -4.12 105.19 106.27 1sxn n GLY 106 Ca -0.17 -1.63 0.09 0.00 0.00 0.00 0.00 46.02 44.32 1sxn n GLY 106 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sxn h GLU 107 N 0.00 0.20 -0.65 1.61 4.81 -2.01 -1.47 114.58 117.09 1sxn h GLU 107 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1sxn h GLU 107 Cb 0.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1sxn h GLU 107 CO 0.00 0.13 0.00 0.66 -0.73 0.00 0.00 179.01 179.07 1sxn n TYR 108 N -4.49 1.38 -1.85 0.92 4.01 -1.26 -4.98 117.16 110.89 1sxn n TYR 108 Ca 0.03 -0.54 -0.41 0.00 -0.16 0.00 0.00 57.90 56.81 1sxn n TYR 108 Cb 0.21 -0.24 -0.01 0.00 -0.31 0.00 0.00 39.34 38.99 1sxn n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sxn s SER 109 N -0.84 6.44 0.00 7.72 0.15 -0.55 -2.23 113.70 124.39 1sxn s SER 109 Ca 0.46 2.92 0.20 0.00 0.70 0.00 0.00 55.95 60.24 1sxn s SER 109 Cb 0.30 -2.65 0.22 0.00 -1.71 0.00 0.00 66.02 62.18 1sxn s SER 109 CO 0.22 -0.83 1.20 2.30 1.20 0.00 0.00 173.24 177.32 1sxn n ILE 110 N 1.43 0.15 -1.92 6.45 -5.35 -0.65 -4.90 119.36 114.56 1sxn n ILE 110 Ca 0.04 -0.57 -0.42 0.00 -0.27 0.00 0.00 62.75 61.53 1sxn n ILE 110 Cb 0.39 1.29 -0.03 0.00 -1.74 0.00 0.00 39.64 39.55 1sxn n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1sxn s ILE 111 N -1.61 2.51 0.00 7.28 -1.09 -1.26 -1.18 121.20 125.85 1sxn s ILE 111 Ca 0.27 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 59.07 1sxn s ILE 111 Cb 0.18 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1sxn s ILE 111 CO 0.26 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1sxn n GLY 112 N 3.19 0.78 2.40 6.18 0.00 0.14 -4.98 105.19 112.90 1sxn n GLY 112 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 1sxn n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxn n ARG 113 N -2.03 0.93 -4.86 1.61 1.74 -0.33 -2.53 116.66 111.18 1sxn n ARG 113 Ca 0.00 -2.10 -0.33 0.00 -0.77 0.00 0.00 57.85 54.65 1sxn n ARG 113 Cb 0.00 0.14 -0.14 0.00 -1.02 0.00 0.00 32.46 31.44 1sxn n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sxn s THR 114 N -1.60 2.96 -0.14 0.55 2.01 -1.13 -0.69 115.64 117.60 1sxn s THR 114 Ca 0.24 -0.72 -0.19 0.00 0.31 0.00 0.00 61.69 61.33 1sxn s THR 114 Cb -0.02 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1sxn s THR 114 CO 0.15 0.55 0.53 -0.32 -0.69 0.00 0.00 174.62 174.84 1sxn s MET 115 N -0.04 4.30 -0.01 4.92 1.75 -0.92 0.10 119.30 129.39 1sxn s MET 115 Ca -0.03 0.51 0.07 0.00 -1.25 0.00 0.00 55.69 54.99 1sxn s MET 115 Cb -0.14 -3.49 -0.02 0.00 2.84 0.00 0.00 34.83 34.02 1sxn s MET 115 CO 0.04 0.02 -0.24 0.08 -0.65 0.00 0.00 175.02 174.27 1sxn s VAL 116 N 1.07 1.87 -0.16 10.11 1.01 0.07 -2.41 120.40 131.96 1sxn s VAL 116 Ca 0.27 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1sxn s VAL 116 Cb -0.16 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1sxn s VAL 116 CO 0.11 0.51 -0.08 0.54 0.00 0.00 0.00 175.10 176.18 1sxn s VAL 117 N -0.57 3.40 0.33 2.92 0.11 -0.67 -1.80 120.40 124.12 1sxn s VAL 117 Ca 0.09 -0.52 0.07 0.00 -2.93 0.00 0.00 61.98 58.69 1sxn s VAL 117 Cb -0.09 -2.48 -0.01 0.00 -1.53 0.00 0.00 36.38 32.27 1sxn s VAL 117 CO -0.01 0.49 0.42 -1.00 -3.33 0.00 0.00 175.10 171.68 1sxn s HIS 118 N 0.62 3.06 0.17 1.54 3.76 -0.06 -1.10 115.29 123.28 1sxn s HIS 118 Ca -0.05 -0.24 -0.08 0.00 -0.15 0.00 0.00 55.06 54.54 1sxn s HIS 118 Cb -0.15 -1.94 0.04 0.00 1.11 0.00 0.00 32.58 31.64 1sxn s HIS 118 CO 0.03 0.04 1.54 1.49 -0.85 0.00 0.00 174.74 176.98 1sxn h GLU 119 N 0.99 0.88 -5.89 1.40 4.81 -0.33 -3.37 114.58 113.06 1sxn h GLU 119 Ca -0.45 -0.42 -0.57 0.00 -0.13 0.00 0.00 59.36 57.79 1sxn h GLU 119 Cb 1.26 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.55 1sxn h GLU 119 CO 0.54 1.07 -0.48 0.15 -0.73 0.00 0.00 179.01 179.56 1sxn s LYS 120 N -4.48 2.24 0.58 1.92 -0.14 0.05 -4.86 119.74 115.06 1sxn s LYS 120 Ca -0.10 -1.86 -0.20 0.00 -1.36 0.00 0.00 55.97 52.44 1sxn s LYS 120 Cb 0.12 -2.00 -0.03 0.00 -1.68 0.00 0.00 37.83 34.24 1sxn s LYS 120 CO 0.86 -0.17 1.31 -2.14 -0.76 0.00 0.00 175.35 174.45 1sxn s PRO 121 N -3.95 2.94 -0.12 -1.68 0.02 -1.11 -1.43 135.00 129.68 1sxn s PRO 121 Ca 0.40 2.10 -0.21 0.00 0.02 0.00 0.00 61.00 63.31 1sxn s PRO 121 Cb 0.03 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 1sxn s PRO 121 CO 0.22 -1.31 0.59 0.34 -0.33 0.00 0.00 177.00 176.51 1sxn s ASP 122 N -1.21 6.78 0.00 2.53 -1.08 -1.26 -4.01 116.67 118.41 1sxn s ASP 122 Ca 0.76 0.94 0.10 0.00 -0.52 0.00 0.00 52.55 53.83 1sxn s ASP 122 Cb -0.38 -2.34 0.38 0.00 -1.46 0.00 0.00 42.92 39.12 1sxn s ASP 122 CO 0.42 -0.11 1.28 -0.90 0.52 0.00 0.00 175.17 176.38 1sxn n ASP 123 N 4.06 1.06 -2.45 -0.34 5.68 0.19 -4.88 116.55 119.87 1sxn n ASP 123 Ca -0.04 -1.89 -0.21 0.00 -0.50 0.00 0.00 54.79 52.16 1sxn n ASP 123 Cb 0.51 -0.12 -0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1sxn n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sxn n LEU 124 N 0.03 -2.04 -0.25 -2.12 4.77 -1.26 -2.12 117.00 114.01 1sxn n LEU 124 Ca 0.09 -0.05 -0.03 0.00 -0.03 0.00 0.00 56.01 55.99 1sxn n LEU 124 Cb 0.18 -2.94 -0.01 0.00 -2.33 0.00 0.00 43.42 38.32 1sxn n LEU 124 CO 0.07 -0.16 -0.03 0.61 -1.33 0.00 0.00 177.39 176.54 1sxn n GLY 125 N -1.08 0.62 0.83 -0.72 0.00 -1.25 -3.40 105.19 100.19 1sxn n GLY 125 Ca -0.23 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.44 1sxn n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxn n ARG 126 N -2.38 2.94 0.17 1.61 1.74 -0.90 -4.62 116.66 115.23 1sxn n ARG 126 Ca -0.03 -2.61 0.13 0.00 -0.77 0.00 0.00 57.85 54.56 1sxn n ARG 126 Cb 0.17 -1.68 0.33 0.00 -1.02 0.00 0.00 32.46 30.26 1sxn n ARG 126 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1sxn h GLY 127 N 1.90 0.00 0.00 -0.13 0.00 -1.90 -3.48 103.07 99.47 1sxn h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sxn h GLY 127 CO 0.16 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.31 1sxn n GLY 128 N 1.02 0.68 3.71 4.60 0.00 -1.26 -5.02 105.19 108.92 1sxn n GLY 128 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1sxn n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxn s ASN 129 N -2.92 4.24 0.23 1.61 2.20 -1.26 -5.04 114.94 114.00 1sxn s ASN 129 Ca 0.00 -1.23 -0.06 0.00 -0.94 0.00 0.00 52.86 50.63 1sxn s ASN 129 Cb 0.00 -0.32 0.21 0.00 -2.00 0.00 0.00 41.25 39.14 1sxn s ASN 129 CO 0.00 -0.57 1.81 -0.08 -2.94 0.00 0.00 177.10 175.32 1sxn h GLU 130 N 1.49 1.16 -0.62 3.55 4.81 -2.01 -2.82 114.58 120.15 1sxn h GLU 130 Ca -0.43 -0.19 0.06 0.00 -0.13 0.00 0.00 59.36 58.67 1sxn h GLU 130 Cb 1.26 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 1sxn h GLU 130 CO 0.73 0.93 0.41 1.49 -0.73 0.00 0.00 179.01 181.84 1sxn h GLU 131 N 1.14 0.60 -0.77 1.92 4.57 -2.00 -1.32 114.58 118.73 1sxn h GLU 131 Ca 0.27 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.44 1sxn h GLU 131 Cb 0.18 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.59 1sxn h GLU 131 CO -0.03 0.40 0.51 1.03 -1.18 0.00 0.00 179.01 179.74 1sxn h SER 132 N 0.62 0.82 0.29 1.04 0.87 -1.84 0.13 113.55 115.48 1sxn h SER 132 Ca 0.27 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1sxn h SER 132 Cb 0.26 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1sxn h SER 132 CO -0.08 0.57 0.00 0.35 -0.53 0.00 0.00 176.83 177.14 1sxn n THR 133 N -4.45 0.12 -0.04 2.23 -2.24 -0.51 -1.79 114.28 107.62 1sxn n THR 133 Ca 0.10 0.03 -0.08 0.00 -2.27 0.00 0.00 64.05 61.82 1sxn n THR 133 Cb 0.11 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 67.68 1sxn n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sxn n LYS 134 N -1.17 0.17 0.00 -0.78 5.02 -0.46 -1.03 118.16 119.91 1sxn n LYS 134 Ca 0.15 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1sxn n LYS 134 Cb 0.16 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 1sxn n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sxn n THR 135 N -3.29 0.15 -1.00 -0.18 -2.24 0.33 -4.68 114.28 103.36 1sxn n THR 135 Ca -0.16 -0.31 -0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1sxn n THR 135 Cb 0.62 1.29 -0.00 0.00 -2.10 0.00 0.00 70.33 70.13 1sxn n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sxn n GLY 136 N -0.07 0.34 2.38 3.38 0.00 -0.74 -2.76 105.19 107.72 1sxn n GLY 136 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 1sxn n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sxn n ASN 137 N -0.33 -5.68 0.06 1.61 3.02 -1.26 -0.64 115.26 112.05 1sxn n ASN 137 Ca -0.00 -0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 1sxn n ASN 137 Cb 0.17 -4.71 0.47 0.00 -0.61 0.00 0.00 39.78 35.10 1sxn n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sxn n ALA 138 N -1.86 2.11 -0.12 5.41 0.00 -1.11 -4.74 120.51 120.20 1sxn n ALA 138 Ca -0.24 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1sxn n ALA 138 Cb 0.68 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1sxn n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxn n GLY 139 N 0.96 -0.44 3.77 0.00 0.00 -1.26 -0.77 105.19 107.46 1sxn n GLY 139 Ca 0.05 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 1sxn n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxn s SER 140 N -4.00 4.62 -0.49 1.61 1.04 -1.26 -4.65 113.70 110.57 1sxn s SER 140 Ca 0.00 1.79 -0.23 0.00 0.48 0.00 0.00 55.95 57.99 1sxn s SER 140 Cb 0.00 -2.51 0.03 0.00 0.10 0.00 0.00 66.02 63.64 1sxn s SER 140 CO 0.00 -1.96 0.80 -0.13 0.98 0.00 0.00 173.24 172.93 1sxn s ARG 141 N -4.92 3.34 0.11 4.02 0.52 -1.26 0.09 118.95 120.84 1sxn s ARG 141 Ca 0.61 -0.26 -0.08 0.00 -0.52 0.00 0.00 55.73 55.47 1sxn s ARG 141 Cb -0.17 -3.99 -0.15 0.00 0.52 0.00 0.00 34.95 31.16 1sxn s ARG 141 CO 0.56 -1.23 1.26 -0.07 0.02 0.00 0.00 175.30 175.84 1sxn h LEU 142 N 10.30 0.70 -7.10 2.53 3.38 -1.41 -3.47 115.31 120.25 1sxn h LEU 142 Ca -0.25 -0.56 -0.06 0.00 0.09 0.00 0.00 57.88 57.10 1sxn h LEU 142 Cb 1.08 -0.21 -0.17 0.00 0.09 0.00 0.00 40.66 41.45 1sxn h LEU 142 CO 1.00 1.35 0.11 0.00 0.09 0.00 0.00 178.44 180.99 1sxn s ALA 143 N -3.32 -1.52 0.19 1.53 0.00 -1.19 -4.17 121.76 113.27 1sxn s ALA 143 Ca -0.08 0.86 -0.23 0.00 0.00 0.00 0.00 51.96 52.51 1sxn s ALA 143 Cb 0.08 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.55 1sxn s ALA 143 CO 0.89 -0.48 0.71 0.00 0.00 0.00 0.00 175.76 176.88 1sxn s GLY 145 N -2.80 -0.54 0.04 0.00 0.00 -1.01 -1.05 107.32 101.95 1sxn s GLY 145 Ca 0.06 1.03 -0.26 0.00 0.00 0.00 0.00 44.72 45.55 1sxn s GLY 145 CO -0.04 0.55 0.80 0.14 0.00 0.00 0.00 173.10 174.56 1sxn s VAL 146 N -2.51 4.74 -0.27 1.40 1.01 -1.26 -2.17 120.40 121.33 1sxn s VAL 146 Ca -0.03 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 63.37 1sxn s VAL 146 Cb -0.01 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.23 1sxn s VAL 146 CO -0.03 0.33 1.06 -0.63 0.00 0.00 0.00 175.10 175.82 1sxn s ILE 147 N 0.11 4.60 0.39 2.22 1.01 0.13 -4.47 121.20 125.19 1sxn s ILE 147 Ca 0.41 1.89 0.08 0.00 0.00 0.00 0.00 60.65 63.03 1sxn s ILE 147 Cb -0.21 -4.36 -0.07 0.00 0.01 0.00 0.00 42.46 37.84 1sxn s ILE 147 CO 0.24 -0.32 0.03 -0.83 0.00 0.00 0.00 174.94 174.06 1sxn s GLY 148 N 1.41 2.35 0.23 6.18 0.00 -0.03 0.29 107.32 117.74 1sxn s GLY 148 Ca 0.45 -2.18 -0.30 0.00 0.00 0.00 0.00 44.72 42.69 1sxn s GLY 148 CO 0.10 -2.02 1.32 -0.42 0.00 0.00 0.00 173.10 172.08 1sxn s ILE 149 N -2.64 3.08 0.32 0.90 1.01 -1.26 -0.91 121.20 121.70 1sxn s ILE 149 Ca 0.36 0.92 0.09 0.00 0.00 0.00 0.00 60.65 62.03 1sxn s ILE 149 Cb 0.06 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 1sxn s ILE 149 CO 0.19 0.15 -0.02 0.00 0.00 0.00 0.00 174.94 175.26 1sxn s ALA 150 N -0.14 3.13 -2.15 9.38 0.00 -0.61 -4.77 121.76 126.59 1sxn s ALA 150 Ca 0.55 -1.91 0.31 0.00 0.00 0.00 0.00 51.96 50.91 1sxn s ALA 150 Cb -0.37 -0.40 1.65 0.00 0.00 0.00 0.00 23.12 23.99 1sxn s ALA 150 CO 0.41 0.13 2.08 1.17 0.00 0.00 0.00 175.76 179.55