#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sda n THR 2 N 0.00 0.31 -4.42 0.00 -2.24 -1.24 -4.45 114.28 102.24 1sda n THR 2 Ca 0.00 -0.45 -0.21 0.00 -2.27 0.00 0.00 64.05 61.12 1sda n THR 2 Cb 0.00 -0.09 -0.16 0.00 -2.10 0.00 0.00 70.33 67.98 1sda n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sda s LYS 3 N -2.89 1.05 0.29 -0.78 1.02 -0.98 0.15 119.74 117.59 1sda s LYS 3 Ca -0.06 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.63 1sda s LYS 3 Cb 0.09 -0.97 -0.04 0.00 -0.52 0.00 0.00 37.83 36.39 1sda s LYS 3 CO 0.65 0.10 0.16 0.00 -0.92 0.00 0.00 175.35 175.34 1sda s ALA 4 N 0.26 1.82 0.07 5.17 0.00 -0.47 -0.91 121.76 127.69 1sda s ALA 4 Ca -0.04 -1.78 -0.17 0.00 0.00 0.00 0.00 51.96 49.96 1sda s ALA 4 Cb -0.10 1.20 0.03 0.00 0.00 0.00 0.00 23.12 24.26 1sda s ALA 4 CO 0.01 -0.53 0.40 0.54 0.00 0.00 0.00 175.76 176.18 1sda s VAL 5 N -3.69 0.06 -0.08 0.00 0.11 0.85 -1.54 120.40 116.11 1sda s VAL 5 Ca 0.37 -0.52 -0.04 0.00 -2.93 0.00 0.00 61.98 58.85 1sda s VAL 5 Cb 0.05 -1.02 0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1sda s VAL 5 CO 0.17 -0.29 0.20 0.00 -3.33 0.00 0.00 175.10 171.85 1sda s VAL 7 N 1.03 3.74 -0.29 0.00 1.01 -1.26 -0.65 120.40 123.98 1sda s VAL 7 Ca -0.08 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 1sda s VAL 7 Cb -0.09 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 1sda s VAL 7 CO -0.06 0.35 0.51 -0.76 0.00 0.00 0.00 175.10 175.14 1sda s LEU 8 N 1.52 4.13 0.10 3.92 1.43 -0.40 -3.98 118.68 125.40 1sda s LEU 8 Ca 0.05 0.36 0.07 0.00 -1.03 0.00 0.00 54.13 53.58 1sda s LEU 8 Cb -0.15 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 1sda s LEU 8 CO -0.00 -0.35 -0.17 -0.54 0.23 0.00 0.00 176.35 175.52 1sda s LYS 9 N 2.34 1.00 0.00 1.70 1.02 -0.77 -2.62 119.74 122.41 1sda s LYS 9 Ca 0.20 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 55.08 1sda s LYS 9 Cb -0.15 -1.09 0.00 0.00 -0.52 0.00 0.00 37.83 36.06 1sda s LYS 9 CO 0.11 0.24 0.00 0.41 -0.92 0.00 0.00 175.35 175.19 1sda n GLY 10 N 1.01 3.48 2.63 -3.33 0.00 -1.26 -1.11 105.19 106.61 1sda n GLY 10 Ca -0.19 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 1sda n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sda n ASP 11 N -2.08 7.43 0.00 1.61 5.68 -1.26 -4.91 116.55 123.03 1sda n ASP 11 Ca 0.00 -3.51 0.00 0.00 -0.50 0.00 0.00 54.79 50.78 1sda n ASP 11 Cb 0.00 -1.24 0.00 0.00 -1.14 0.00 0.00 41.12 38.74 1sda n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sda n GLY 12 N 0.58 3.97 0.61 6.12 0.00 -1.26 -5.03 105.19 110.17 1sda n GLY 12 Ca 0.50 -0.99 0.13 0.00 0.00 0.00 0.00 46.02 45.66 1sda n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sda n PRO 13 N 0.00 1.83 -3.21 1.61 -0.04 -1.26 -4.90 135.00 129.02 1sda n PRO 13 Ca 0.00 -1.22 -0.42 0.00 -0.04 0.00 0.00 63.50 61.83 1sda n PRO 13 Cb 0.00 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 31.91 1sda n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sda s VAL 14 N -2.01 4.98 0.21 0.52 1.01 -1.25 -4.02 120.40 119.85 1sda s VAL 14 Ca 0.35 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.68 1sda s VAL 14 Cb 0.21 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1sda s VAL 14 CO 0.33 -0.29 -0.06 -1.10 0.00 0.00 0.00 175.10 173.98 1sda s GLN 15 N 2.47 1.29 -0.14 2.72 -1.52 -0.48 -3.99 119.66 120.00 1sda s GLN 15 Ca 0.19 -1.62 -0.34 0.00 -1.95 0.00 0.00 55.36 51.65 1sda s GLN 15 Cb -0.15 -0.79 0.15 0.00 -0.22 0.00 0.00 33.01 32.00 1sda s GLN 15 CO 0.14 0.02 1.44 0.20 -0.25 0.00 0.00 175.29 176.84 1sda s GLY 16 N -3.29 -0.45 -0.05 3.09 0.00 -1.08 -0.02 107.32 105.52 1sda s GLY 16 Ca 0.24 1.17 -0.01 0.00 0.00 0.00 0.00 44.72 46.12 1sda s GLY 16 CO 0.07 0.27 0.02 -1.59 0.00 0.00 0.00 173.10 171.87 1sda s THR 17 N -2.01 0.17 -0.12 0.90 2.01 -0.48 -1.27 115.64 114.85 1sda s THR 17 Ca 0.14 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.37 1sda s THR 17 Cb 0.06 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.21 1sda s THR 17 CO -0.06 0.21 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.31 1sda s ILE 18 N 1.85 3.02 0.02 1.82 -1.09 0.17 -2.54 121.20 124.45 1sda s ILE 18 Ca 0.02 -0.68 0.06 0.00 -2.23 0.00 0.00 60.65 57.82 1sda s ILE 18 Cb -0.12 -2.25 -0.03 0.00 -1.58 0.00 0.00 42.46 38.47 1sda s ILE 18 CO -0.04 0.54 -0.18 -1.00 -1.23 0.00 0.00 174.94 173.03 1sda s HIS 19 N 0.17 2.57 -0.03 3.97 3.76 0.19 -0.83 115.29 125.08 1sda s HIS 19 Ca -0.08 -0.25 0.03 0.00 -0.15 0.00 0.00 55.06 54.62 1sda s HIS 19 Cb -0.15 -1.50 -0.00 0.00 1.11 0.00 0.00 32.58 32.04 1sda s HIS 19 CO 0.05 0.21 -0.13 -0.06 -0.85 0.00 0.00 174.74 173.96 1sda s PHE 20 N -0.86 1.30 -0.09 1.40 0.40 -0.59 -1.09 117.98 118.45 1sda s PHE 20 Ca 0.14 -0.34 -0.04 0.00 -0.60 0.00 0.00 56.93 56.09 1sda s PHE 20 Cb -0.10 -0.89 0.04 0.00 0.51 0.00 0.00 43.02 42.58 1sda s PHE 20 CO 0.04 -0.11 0.21 -2.00 0.70 0.00 0.00 175.22 174.05 1sda s GLU 21 N 0.06 0.16 -0.22 0.44 2.12 -0.71 -1.36 118.70 119.18 1sda s GLU 21 Ca -0.02 0.48 -0.28 0.00 0.36 0.00 0.00 54.97 55.50 1sda s GLU 21 Cb -0.09 -0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.16 1sda s GLU 21 CO 0.01 -0.17 1.00 0.00 -0.54 0.00 0.00 175.26 175.56 1sda s ALA 22 N 1.27 3.65 -0.27 6.30 0.00 0.12 -1.21 121.76 131.62 1sda s ALA 22 Ca -0.09 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.04 1sda s ALA 22 Cb -0.11 -3.49 0.07 0.00 0.00 0.00 0.00 23.12 19.60 1sda s ALA 22 CO -0.08 -0.98 -0.03 0.15 0.00 0.00 0.00 175.76 174.83 1sda s LYS 23 N 3.00 1.70 3.67 0.00 3.01 -0.29 -4.98 119.74 125.85 1sda s LYS 23 Ca 0.43 -1.33 0.00 0.00 -1.01 0.00 0.00 55.97 54.06 1sda s LYS 23 Cb -0.15 -2.78 0.00 0.00 -1.01 0.00 0.00 37.83 33.88 1sda s LYS 23 CO 0.08 -0.71 0.00 0.41 0.51 0.00 0.00 175.35 175.64 1sda n GLY 24 N 4.51 1.21 0.57 -3.33 0.00 -1.26 -0.42 105.19 106.46 1sda n GLY 24 Ca -0.08 0.54 0.06 0.00 0.00 0.00 0.00 46.02 46.54 1sda n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sda n ASP 25 N 8.58 1.70 -4.53 1.61 9.92 -1.26 -4.99 116.55 127.58 1sda n ASP 25 Ca 0.00 -3.37 -0.24 0.00 -0.53 0.00 0.00 54.79 50.65 1sda n ASP 25 Cb 0.00 -0.46 -0.09 0.00 -0.64 0.00 0.00 41.12 39.93 1sda n ASP 25 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1sda s THR 26 N -2.59 2.81 -0.27 -3.53 -4.23 0.44 -4.52 115.64 103.74 1sda s THR 26 Ca 0.34 -2.23 -0.03 0.00 -1.18 0.00 0.00 61.69 58.59 1sda s THR 26 Cb 0.33 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.70 1sda s THR 26 CO -0.05 -0.39 -0.01 -0.69 -0.54 0.00 0.00 174.62 172.94 1sda s VAL 27 N -2.45 3.18 -0.50 2.29 1.01 0.29 -1.14 120.40 123.08 1sda s VAL 27 Ca 0.31 -1.03 -0.28 0.00 0.00 0.00 0.00 61.98 60.97 1sda s VAL 27 Cb -0.05 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.67 1sda s VAL 27 CO 0.17 0.09 1.40 -0.69 0.00 0.00 0.00 175.10 176.07 1sda s VAL 28 N 1.35 3.86 -0.18 2.92 1.01 -0.35 -1.62 120.40 127.39 1sda s VAL 28 Ca -0.01 0.80 -0.14 0.00 0.00 0.00 0.00 61.98 62.63 1sda s VAL 28 Cb -0.17 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1sda s VAL 28 CO -0.02 -0.99 0.32 -0.69 0.00 0.00 0.00 175.10 173.72 1sda s VAL 29 N 5.74 5.27 0.02 2.92 1.01 0.15 -1.74 120.40 133.77 1sda s VAL 29 Ca 0.56 0.58 -0.02 0.00 0.00 0.00 0.00 61.98 63.10 1sda s VAL 29 Cb -0.12 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1sda s VAL 29 CO 0.29 0.33 0.01 -0.89 0.00 0.00 0.00 175.10 174.84 1sda s THR 30 N 0.83 0.12 -5.00 3.92 2.01 -0.25 -0.75 115.64 116.52 1sda s THR 30 Ca 0.17 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.17 1sda s THR 30 Cb -0.14 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 71.89 1sda s THR 30 CO 0.06 -0.55 0.00 0.61 -0.69 0.00 0.00 174.62 174.05 1sda n GLY 31 N 1.34 -0.19 3.23 4.40 0.00 -0.87 0.53 105.19 113.63 1sda n GLY 31 Ca -0.22 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 1sda n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sda s SER 32 N -4.00 -0.01 0.01 1.61 1.04 -1.05 -0.21 113.70 111.09 1sda s SER 32 Ca 0.00 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.00 1sda s SER 32 Cb 0.00 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 1sda s SER 32 CO 0.00 -0.71 -0.07 -0.63 0.98 0.00 0.00 173.24 172.81 1sda s ILE 33 N -3.43 0.57 0.08 -1.02 1.01 0.02 -1.38 121.20 117.05 1sda s ILE 33 Ca 0.01 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.20 1sda s ILE 33 Cb 0.02 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.94 1sda s ILE 33 CO -0.09 0.01 -0.14 0.42 0.00 0.00 0.00 174.94 175.14 1sda s THR 34 N -0.49 1.15 0.00 2.92 -4.23 0.96 -0.49 115.64 115.47 1sda s THR 34 Ca -0.00 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1sda s THR 34 Cb -0.05 -1.18 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1sda s THR 34 CO 0.00 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 1sda n GLY 35 N 1.09 0.68 3.82 3.99 0.00 -0.36 -1.39 105.19 113.02 1sda n GLY 35 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1sda n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sda s LEU 36 N 0.00 3.83 0.46 0.99 1.02 -0.30 -4.49 118.68 120.20 1sda s LEU 36 Ca 0.00 1.71 -0.21 0.00 0.02 0.00 0.00 54.13 55.64 1sda s LEU 36 Cb 0.00 -4.54 -0.09 0.00 0.02 0.00 0.00 46.19 41.59 1sda s LEU 36 CO 0.00 -0.51 1.05 0.42 0.02 0.00 0.00 176.35 177.32 1sda s THR 37 N -2.26 3.75 0.30 5.49 -4.23 -1.26 -4.08 115.64 113.34 1sda s THR 37 Ca 0.62 1.16 -0.29 0.00 -1.18 0.00 0.00 61.69 62.00 1sda s THR 37 Cb -0.11 -3.51 -0.13 0.00 1.34 0.00 0.00 72.50 70.10 1sda s THR 37 CO 0.19 -0.16 1.37 1.21 -0.54 0.00 0.00 174.62 176.69 1sda n GLU 38 N -0.70 2.18 0.00 3.99 2.13 -1.26 -4.61 120.64 122.36 1sda n GLU 38 Ca 0.08 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.67 1sda n GLU 38 Cb 0.52 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.82 1sda n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sda n GLY 39 N 1.37 -0.57 3.81 8.31 0.00 0.54 -4.89 105.19 113.76 1sda n GLY 39 Ca 0.07 -2.07 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 1sda n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sda s ASP 40 N -4.00 7.10 -0.01 1.61 1.01 -1.26 -0.15 116.67 120.97 1sda s ASP 40 Ca 0.00 1.51 0.02 0.00 0.71 0.00 0.00 52.55 54.78 1sda s ASP 40 Cb 0.00 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1sda s ASP 40 CO 0.00 -0.01 -0.06 -1.00 0.21 0.00 0.00 175.17 174.32 1sda s HIS 41 N -1.57 0.55 0.50 4.23 3.76 -0.10 -2.77 115.29 119.88 1sda s HIS 41 Ca 0.45 -0.11 -0.23 0.00 -0.15 0.00 0.00 55.06 55.02 1sda s HIS 41 Cb -0.17 -0.39 -0.06 0.00 1.11 0.00 0.00 32.58 33.07 1sda s HIS 41 CO 0.21 -0.04 1.33 0.20 -0.85 0.00 0.00 174.74 175.60 1sda s GLY 42 N 0.05 2.88 -0.34 -2.22 0.00 -0.47 -1.29 107.32 105.93 1sda s GLY 42 Ca -0.00 1.28 -0.01 0.00 0.00 0.00 0.00 44.72 45.99 1sda s GLY 42 CO -0.00 1.81 0.15 -0.12 0.00 0.00 0.00 173.10 174.94 1sda s PHE 43 N -1.32 1.24 0.03 1.90 5.36 0.18 0.11 117.98 125.49 1sda s PHE 43 Ca 0.66 -1.65 0.07 0.00 -0.96 0.00 0.00 56.93 55.05 1sda s PHE 43 Cb -0.39 -1.40 -0.02 0.00 -0.34 0.00 0.00 43.02 40.87 1sda s PHE 43 CO 0.47 -0.84 -0.19 -1.01 -1.46 0.00 0.00 175.22 172.19 1sda s HIS 44 N 1.38 1.68 -0.44 10.12 3.76 -0.33 -2.53 115.29 128.92 1sda s HIS 44 Ca 0.13 -0.36 -0.23 0.00 -0.15 0.00 0.00 55.06 54.45 1sda s HIS 44 Cb -0.20 -1.01 0.02 0.00 1.11 0.00 0.00 32.58 32.51 1sda s HIS 44 CO -0.18 0.06 0.78 0.08 -0.85 0.00 0.00 174.74 174.64 1sda s VAL 45 N -0.74 4.66 0.60 -0.90 1.01 0.59 -0.24 120.40 125.37 1sda s VAL 45 Ca 0.06 0.45 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 1sda s VAL 45 Cb -0.08 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 32.02 1sda s VAL 45 CO 0.01 -0.70 0.88 -1.00 0.00 0.00 0.00 175.10 174.30 1sda s HIS 46 N 3.27 3.05 0.05 5.22 3.76 0.25 -1.23 115.29 129.66 1sda s HIS 46 Ca 0.30 0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 55.43 1sda s HIS 46 Cb -0.12 -2.84 -0.22 0.00 1.11 0.00 0.00 32.58 30.51 1sda s HIS 46 CO 0.22 -0.97 1.18 0.37 -0.85 0.00 0.00 174.74 174.69 1sda h GLN 47 N -0.19 0.61 -6.43 1.40 4.15 0.11 -2.16 115.11 112.60 1sda h GLN 47 Ca -0.44 -0.62 -0.67 0.00 0.77 0.00 0.00 58.65 57.68 1sda h GLN 47 Cb 1.28 0.17 -0.18 0.00 0.21 0.00 0.00 27.48 28.97 1sda h GLN 47 CO 0.58 1.23 -0.73 -0.06 -1.93 0.00 0.00 178.83 177.92 1sda s PHE 48 N -3.36 2.78 -1.31 3.99 0.08 0.12 -4.69 117.98 115.58 1sda s PHE 48 Ca -0.11 -0.12 -0.06 0.00 0.12 0.00 0.00 56.93 56.76 1sda s PHE 48 Cb 0.06 -1.52 0.13 0.00 -0.57 0.00 0.00 43.02 41.12 1sda s PHE 48 CO 0.88 0.36 2.28 0.41 -0.10 0.00 0.00 175.22 179.06 1sda n GLY 49 N 1.28 5.17 3.02 4.36 0.00 -0.91 -3.76 105.19 114.34 1sda n GLY 49 Ca -0.15 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.48 1sda n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sda s ASP 50 N 0.38 4.01 -0.06 1.61 -1.08 -1.26 -4.96 116.67 115.30 1sda s ASP 50 Ca 0.51 -1.20 0.12 0.00 -0.52 0.00 0.00 52.55 51.46 1sda s ASP 50 Cb 0.17 -1.37 0.37 0.00 -1.46 0.00 0.00 42.92 40.64 1sda s ASP 50 CO -0.08 -0.19 1.30 -3.20 0.52 0.00 0.00 175.17 173.53 1sda n ASN 51 N 4.56 3.23 0.24 -0.34 2.85 -1.26 -3.46 115.26 121.08 1sda n ASN 51 Ca -0.14 -2.36 0.10 0.00 -0.11 0.00 0.00 54.58 52.08 1sda n ASN 51 Cb 0.44 -0.33 0.63 0.00 1.24 0.00 0.00 39.78 41.75 1sda n ASN 51 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1sda h THR 52 N 1.87 0.70 -1.72 -0.44 1.35 -1.94 -2.42 112.91 110.31 1sda h THR 52 Ca 0.00 -0.71 -0.54 0.00 -0.55 0.00 0.00 66.41 64.61 1sda h THR 52 Cb 0.97 1.44 -0.41 0.00 -1.73 0.00 0.00 68.15 68.42 1sda h THR 52 CO 0.08 0.17 -0.82 1.67 -0.25 0.00 0.00 175.52 176.36 1sda n GLN 53 N -3.72 2.78 0.00 4.72 7.27 -1.26 -5.06 117.38 122.12 1sda n GLN 53 Ca -0.02 -4.31 0.00 0.00 0.07 0.00 0.00 57.00 52.74 1sda n GLN 53 Cb 0.28 -2.04 0.00 0.00 2.41 0.00 0.00 30.24 30.89 1sda n GLN 53 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sda n GLY 54 N -0.27 3.51 0.02 1.69 0.00 -0.91 -1.49 105.19 107.73 1sda n GLY 54 Ca 0.31 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.37 1sda n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sda h THR 56 N 0.00 1.26 -0.10 0.00 2.02 -1.58 -2.84 112.91 111.67 1sda h THR 56 Ca 0.00 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1sda h THR 56 Cb 0.57 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1sda h THR 56 CO 0.00 0.40 0.00 -1.54 0.37 0.00 0.00 175.52 174.75 1sda n SER 57 N -4.19 0.76 0.02 4.18 3.41 -1.23 -3.11 113.62 113.47 1sda n SER 57 Ca 0.03 -1.70 0.09 0.00 -0.26 0.00 0.00 58.87 57.03 1sda n SER 57 Cb 0.33 -0.07 0.38 0.00 -0.26 0.00 0.00 64.21 64.59 1sda n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sda n ALA 58 N -0.22 1.77 -0.07 7.33 0.00 -1.07 -4.44 120.51 123.82 1sda n ALA 58 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1sda n ALA 58 Cb 0.16 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1sda n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sda n GLY 59 N 0.25 -1.55 0.00 0.00 0.00 -1.18 -0.70 105.19 102.00 1sda n GLY 59 Ca 0.04 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1sda n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sda n PRO 60 N -0.05 0.21 -2.50 1.61 -0.04 -1.26 -4.56 135.00 128.41 1sda n PRO 60 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 1sda n PRO 60 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 1sda n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sda s HIS 61 N -0.66 3.61 -0.29 0.54 3.76 -1.26 0.24 115.29 121.22 1sda s HIS 61 Ca 0.00 1.71 -0.30 0.00 -0.15 0.00 0.00 55.06 56.32 1sda s HIS 61 Cb 0.00 -3.26 -0.07 0.00 1.11 0.00 0.00 32.58 30.35 1sda s HIS 61 CO 0.00 -0.48 2.24 0.34 -0.85 0.00 0.00 174.74 175.99 1sda n PHE 62 N 1.26 1.78 -3.17 1.40 7.35 -0.36 -4.63 117.46 121.09 1sda n PHE 62 Ca -0.01 0.02 -0.22 0.00 -0.76 0.00 0.00 57.45 56.48 1sda n PHE 62 Cb 0.45 -2.66 -0.06 0.00 0.35 0.00 0.00 39.48 37.56 1sda n PHE 62 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1sda n ASN 63 N 11.55 0.15 0.07 -2.13 5.15 -1.26 -0.68 115.26 128.11 1sda n ASN 63 Ca 0.35 -2.77 0.10 0.00 -0.60 0.00 0.00 54.58 51.65 1sda n ASN 63 Cb 0.39 -0.53 0.40 0.00 -0.53 0.00 0.00 39.78 39.51 1sda n ASN 63 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1sda n PRO 64 N 1.22 0.10 0.00 1.20 -0.04 -1.26 -2.23 135.00 133.98 1sda n PRO 64 Ca 0.21 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 64.12 1sda n PRO 64 Cb 0.56 -1.69 0.12 0.00 -0.04 0.00 0.00 33.50 32.45 1sda n PRO 64 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1sda n LEU 65 N -1.87 2.39 -3.66 1.53 4.77 -1.26 -4.98 117.00 113.93 1sda n LEU 65 Ca 0.03 -0.82 -0.25 0.00 -0.03 0.00 0.00 56.01 54.94 1sda n LEU 65 Cb 0.20 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1sda n LEU 65 CO 0.17 0.41 0.21 -1.20 -1.33 0.00 0.00 177.39 175.65 1sda n SER 66 N 0.63 -5.72 -3.55 -1.43 7.64 -0.95 -5.01 113.62 105.23 1sda n SER 66 Ca 0.13 -0.60 -0.22 0.00 1.01 0.00 0.00 58.87 59.18 1sda n SER 66 Cb 0.52 -4.79 0.15 0.00 -1.01 0.00 0.00 64.21 59.08 1sda n SER 66 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1sda n LYS 67 N -4.88 -0.87 -2.32 1.43 4.76 -1.26 -5.09 118.16 109.93 1sda n LYS 67 Ca -0.01 -1.67 -0.25 0.00 -2.87 0.00 0.00 58.31 53.51 1sda n LYS 67 Cb 0.56 -0.99 0.10 0.00 -1.84 0.00 0.00 35.03 32.85 1sda n LYS 67 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1sda s LYS 68 N -5.16 1.83 0.49 1.97 1.02 -1.26 -4.79 119.74 113.84 1sda s LYS 68 Ca 0.58 -0.59 -0.20 0.00 0.02 0.00 0.00 55.97 55.78 1sda s LYS 68 Cb -0.02 -2.20 -0.08 0.00 -0.52 0.00 0.00 37.83 35.01 1sda s LYS 68 CO 0.40 -1.43 1.03 -1.58 -0.92 0.00 0.00 175.35 172.85 1sda s HIS 69 N -3.26 3.05 0.12 3.18 5.65 -0.60 -2.61 115.29 120.81 1sda s HIS 69 Ca 0.64 1.57 -0.24 0.00 0.25 0.00 0.00 55.06 57.28 1sda s HIS 69 Cb -0.08 -3.03 0.08 0.00 -1.18 0.00 0.00 32.58 28.37 1sda s HIS 69 CO 0.45 -0.75 1.11 0.41 -0.65 0.00 0.00 174.74 175.31 1sda n GLY 70 N -0.39 0.47 3.96 1.59 0.00 -1.25 -4.29 105.19 105.27 1sda n GLY 70 Ca 0.09 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 1sda n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sda s GLY 71 N -3.58 1.55 0.49 -0.02 0.00 -1.25 -4.74 107.32 99.77 1sda s GLY 71 Ca 0.25 -1.09 0.37 0.00 0.00 0.00 0.00 44.72 44.25 1sda s GLY 71 CO 0.04 -0.94 1.64 -2.55 0.00 0.00 0.00 173.10 171.29 1sda h PRO 72 N 0.48 0.06 0.00 2.90 0.11 -1.85 -0.22 132.00 133.48 1sda h PRO 72 Ca -0.46 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 1sda h PRO 72 Cb 1.25 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1sda h PRO 72 CO 0.57 0.04 -1.73 0.36 -0.21 0.00 0.00 178.00 177.03 1sda n LYS 73 N -4.37 0.64 -1.93 1.05 2.85 -1.26 -4.95 118.16 110.20 1sda n LYS 73 Ca 0.37 0.04 -0.38 0.00 -1.05 0.00 0.00 58.31 57.29 1sda n LYS 73 Cb 1.56 -1.67 0.02 0.00 -0.65 0.00 0.00 35.03 34.30 1sda n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1sda s ASP 74 N -5.29 5.58 0.18 -5.58 1.01 -0.10 -4.92 116.67 107.55 1sda s ASP 74 Ca -0.06 2.64 -0.07 0.00 0.71 0.00 0.00 52.55 55.78 1sda s ASP 74 Cb 0.10 -2.63 0.06 0.00 1.01 0.00 0.00 42.92 41.46 1sda s ASP 74 CO 0.84 -1.35 1.52 -0.08 0.21 0.00 0.00 175.17 176.31 1sda h GLU 75 N 1.71 0.76 -5.53 8.23 4.81 -1.93 -3.39 114.58 119.25 1sda h GLU 75 Ca -0.50 -0.41 -0.62 0.00 -0.13 0.00 0.00 59.36 57.69 1sda h GLU 75 Cb 1.28 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.54 1sda h GLU 75 CO 0.58 1.04 0.57 -1.21 -0.73 0.00 0.00 179.01 179.26 1sda s GLU 76 N -4.29 3.13 0.09 1.92 0.41 -1.26 -4.97 118.70 113.73 1sda s GLU 76 Ca -0.09 -0.75 -0.25 0.00 -0.41 0.00 0.00 54.97 53.46 1sda s GLU 76 Cb 0.12 -4.21 0.07 0.00 -1.78 0.00 0.00 34.13 28.32 1sda s GLU 76 CO 0.86 -1.81 0.61 -0.98 -0.49 0.00 0.00 175.26 173.45 1sda s ARG 77 N 4.15 1.19 0.74 1.61 1.70 -1.19 -3.93 118.95 123.23 1sda s ARG 77 Ca 0.23 -0.23 -0.13 0.00 -0.47 0.00 0.00 55.73 55.13 1sda s ARG 77 Cb -0.16 0.55 0.04 0.00 -0.57 0.00 0.00 34.95 34.82 1sda s ARG 77 CO 0.11 -0.47 1.12 -1.01 -1.08 0.00 0.00 175.30 173.97 1sda s HIS 78 N -2.87 2.40 0.30 5.89 3.76 -1.07 -4.55 115.29 119.14 1sda s HIS 78 Ca -0.03 1.59 0.05 0.00 -0.15 0.00 0.00 55.06 56.52 1sda s HIS 78 Cb -0.01 -3.19 0.48 0.00 1.11 0.00 0.00 32.58 30.97 1sda s HIS 78 CO -0.05 -2.00 1.74 0.28 -0.85 0.00 0.00 174.74 173.85 1sda h VAL 79 N -0.67 1.28 0.00 -0.90 2.07 -1.67 -0.99 116.25 115.38 1sda h VAL 79 Ca -0.45 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1sda h VAL 79 Cb 1.25 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1sda h VAL 79 CO 0.51 0.41 0.00 0.61 0.02 0.00 0.00 177.57 179.12 1sda n GLY 80 N -0.34 -0.36 3.43 2.17 0.00 0.14 -4.33 105.19 105.90 1sda n GLY 80 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1sda n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sda s ASP 81 N -0.79 6.27 -0.09 1.61 1.01 -0.38 -0.30 116.67 124.00 1sda s ASP 81 Ca 0.00 -1.34 0.14 0.00 0.71 0.00 0.00 52.55 52.06 1sda s ASP 81 Cb 0.00 -2.38 0.45 0.00 1.01 0.00 0.00 42.92 42.00 1sda s ASP 81 CO 0.00 -1.27 1.37 0.18 0.21 0.00 0.00 175.17 175.67 1sda n LEU 82 N 7.04 3.56 0.00 1.23 4.77 -1.05 -3.17 117.00 129.39 1sda n LEU 82 Ca -0.00 -2.47 0.00 0.00 -0.03 0.00 0.00 56.01 53.51 1sda n LEU 82 Cb 0.45 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1sda n LEU 82 CO 0.59 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.98 1sda n GLY 83 N 0.18 1.38 3.52 -0.72 0.00 -1.22 -4.77 105.19 103.56 1sda n GLY 83 Ca 0.17 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 1sda n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sda s ASN 84 N -4.00 4.18 0.01 1.61 0.01 -1.26 0.51 114.94 115.99 1sda s ASN 84 Ca 0.00 -0.30 0.06 0.00 -0.71 0.00 0.00 52.86 51.90 1sda s ASN 84 Cb 0.00 -0.82 -0.03 0.00 0.41 0.00 0.00 41.25 40.81 1sda s ASN 84 CO 0.00 0.26 -0.15 -0.69 -1.51 0.00 0.00 177.10 175.01 1sda s VAL 85 N -0.97 2.98 -0.25 1.60 1.01 -0.41 -4.92 120.40 119.45 1sda s VAL 85 Ca 0.16 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 1sda s VAL 85 Cb -0.11 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.05 1sda s VAL 85 CO 0.07 0.42 -0.03 -0.89 0.00 0.00 0.00 175.10 174.67 1sda s THR 86 N -0.88 3.26 0.23 3.92 2.01 -1.26 -0.92 115.64 122.00 1sda s THR 86 Ca 0.14 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 61.09 1sda s THR 86 Cb -0.11 -2.60 -0.09 0.00 0.01 0.00 0.00 72.50 69.72 1sda s THR 86 CO 0.04 0.26 0.92 0.00 -0.69 0.00 0.00 174.62 175.15 1sda s ALA 87 N 1.42 3.35 0.98 7.40 0.00 0.78 -4.43 121.76 131.27 1sda s ALA 87 Ca 0.03 0.58 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 1sda s ALA 87 Cb -0.16 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 19.82 1sda s ALA 87 CO -0.03 0.21 0.22 -0.40 0.00 0.00 0.00 175.76 175.77 1sda n ASP 88 N 1.55 0.02 0.11 0.00 5.68 -0.05 -0.34 116.55 123.52 1sda n ASP 88 Ca -0.02 -1.08 0.11 0.00 -0.50 0.00 0.00 54.79 53.29 1sda n ASP 88 Cb 0.47 -0.17 0.46 0.00 -1.14 0.00 0.00 41.12 40.74 1sda n ASP 88 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1sda n LYS 89 N -1.47 0.15 -0.09 0.11 4.81 -1.26 -0.69 118.16 119.72 1sda n LYS 89 Ca 0.03 0.41 0.12 0.00 -0.87 0.00 0.00 58.31 57.99 1sda n LYS 89 Cb 0.10 -1.81 0.31 0.00 0.02 0.00 0.00 35.03 33.65 1sda n LYS 89 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1sda n ASN 90 N -2.10 2.38 -0.01 3.14 3.02 -1.26 -4.92 115.26 115.51 1sda n ASN 90 Ca 0.02 -1.81 -0.00 0.00 -0.03 0.00 0.00 54.58 52.76 1sda n ASN 90 Cb 0.20 -0.12 -0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1sda n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sda n GLY 91 N 1.28 0.43 3.63 7.41 0.00 0.13 -4.71 105.19 113.36 1sda n GLY 91 Ca 0.17 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 1sda n GLY 91 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sda s VAL 92 N -2.00 3.88 -0.13 1.61 -7.23 -1.26 -1.14 120.40 114.12 1sda s VAL 92 Ca 0.00 -0.65 -0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1sda s VAL 92 Cb 0.00 -2.69 0.03 0.00 0.56 0.00 0.00 36.38 34.28 1sda s VAL 92 CO 0.00 0.42 -0.09 0.00 -0.31 0.00 0.00 175.10 175.12 1sda s ALA 93 N -1.00 1.52 -0.14 1.32 0.00 0.36 -0.87 121.76 122.94 1sda s ALA 93 Ca 0.17 -0.71 -0.27 0.00 0.00 0.00 0.00 51.96 51.16 1sda s ALA 93 Cb -0.11 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 1sda s ALA 93 CO 0.08 -0.48 0.88 0.42 0.00 0.00 0.00 175.76 176.66 1sda s ILE 94 N 1.63 4.86 -0.06 0.00 -1.09 -1.26 -0.80 121.20 124.48 1sda s ILE 94 Ca 0.04 1.77 -0.19 0.00 -2.23 0.00 0.00 60.65 60.04 1sda s ILE 94 Cb -0.13 -4.19 -0.05 0.00 -1.58 0.00 0.00 42.46 36.51 1sda s ILE 94 CO -0.09 0.04 0.52 -0.69 -1.23 0.00 0.00 174.94 173.49 1sda s VAL 95 N 1.97 5.06 -0.28 2.92 1.01 0.71 -4.75 120.40 127.04 1sda s VAL 95 Ca 0.42 1.06 0.02 0.00 0.00 0.00 0.00 61.98 63.48 1sda s VAL 95 Cb -0.17 -3.85 0.17 0.00 0.00 0.00 0.00 36.38 32.52 1sda s VAL 95 CO 0.15 0.39 0.47 -0.62 0.00 0.00 0.00 175.10 175.49 1sda s ASP 96 N 0.11 -0.34 -0.02 3.32 2.15 -1.25 -2.06 116.67 118.59 1sda s ASP 96 Ca 0.28 -0.01 -0.03 0.00 0.43 0.00 0.00 52.55 53.22 1sda s ASP 96 Cb -0.17 1.46 0.00 0.00 -0.30 0.00 0.00 42.92 43.91 1sda s ASP 96 CO 0.13 -0.32 0.08 -0.63 -0.17 0.00 0.00 175.17 174.27 1sda s ILE 97 N 2.65 0.03 -0.22 4.11 1.01 0.07 -5.00 121.20 123.85 1sda s ILE 97 Ca 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 60.65 60.52 1sda s ILE 97 Cb -0.13 -0.21 0.06 0.00 0.01 0.00 0.00 42.46 42.20 1sda s ILE 97 CO -0.26 -0.13 -0.03 -0.69 0.00 0.00 0.00 174.94 173.82 1sda s VAL 98 N -0.40 1.27 -0.12 2.92 1.01 -1.26 -0.68 120.40 123.15 1sda s VAL 98 Ca -0.05 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.94 1sda s VAL 98 Cb -0.03 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 1sda s VAL 98 CO 0.00 -0.10 -0.20 -0.62 0.00 0.00 0.00 175.10 174.18 1sda s ASP 99 N 1.52 3.38 0.00 3.32 2.15 -0.64 -4.92 116.67 121.48 1sda s ASP 99 Ca -0.04 -0.50 0.21 0.00 0.43 0.00 0.00 52.55 52.65 1sda s ASP 99 Cb -0.18 -1.48 0.68 0.00 -0.30 0.00 0.00 42.92 41.63 1sda s ASP 99 CO -0.07 0.14 1.51 -0.81 -0.17 0.00 0.00 175.17 175.78 1sda n PRO 100 N 3.64 1.86 -0.14 4.34 -0.04 -1.26 -0.55 135.00 142.85 1sda n PRO 100 Ca -0.19 -1.30 -0.29 0.00 -0.04 0.00 0.00 63.50 61.68 1sda n PRO 100 Cb 0.53 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 1sda n PRO 100 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1sda n LEU 101 N 0.53 1.96 -4.73 1.53 7.94 -1.26 -4.81 117.00 118.15 1sda n LEU 101 Ca 0.16 0.34 -0.32 0.00 -1.11 0.00 0.00 56.01 55.09 1sda n LEU 101 Cb 0.38 -0.82 0.10 0.00 0.53 0.00 0.00 43.42 43.61 1sda n LEU 101 CO 0.13 0.54 0.72 0.27 -1.11 0.00 0.00 177.39 177.95 1sda s ILE 102 N -2.52 2.77 0.29 1.96 -4.36 -1.26 -4.96 121.20 113.11 1sda s ILE 102 Ca -0.38 0.30 -0.11 0.00 -0.26 0.00 0.00 60.65 60.19 1sda s ILE 102 Cb 0.14 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 41.17 1sda s ILE 102 CO 0.49 -0.28 0.52 -0.94 0.24 0.00 0.00 174.94 174.97 1sda s SER 103 N -2.75 0.15 -0.05 4.36 1.04 -1.26 -4.41 113.70 110.78 1sda s SER 103 Ca 0.67 -1.08 0.09 0.00 0.48 0.00 0.00 55.95 56.11 1sda s SER 103 Cb -0.22 0.64 0.24 0.00 0.10 0.00 0.00 66.02 66.78 1sda s SER 103 CO 0.51 -1.24 1.18 0.18 0.98 0.00 0.00 173.24 174.85 1sda n LEU 104 N -0.44 2.68 -3.89 2.42 4.77 -1.26 -0.71 117.00 120.56 1sda n LEU 104 Ca -0.02 -2.35 -0.09 0.00 -0.03 0.00 0.00 56.01 53.52 1sda n LEU 104 Cb 0.62 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1sda n LEU 104 CO 0.24 0.64 0.40 -0.94 -1.33 0.00 0.00 177.39 176.41 1sda s SER 105 N -1.47 0.07 0.88 -1.43 1.04 -1.26 -0.87 113.70 110.65 1sda s SER 105 Ca 0.20 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1sda s SER 105 Cb 0.14 0.75 0.00 0.00 0.10 0.00 0.00 66.02 67.02 1sda s SER 105 CO 0.07 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.44 1sda n GLY 106 N -0.50 0.70 3.36 7.32 0.00 -1.26 -3.37 105.19 111.45 1sda n GLY 106 Ca -0.05 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 1sda n GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sda n GLU 107 N 0.00 2.61 0.00 1.61 1.02 -1.26 -4.93 120.64 119.69 1sda n GLU 107 Ca 0.00 -2.82 0.00 0.00 -0.02 0.00 0.00 57.16 54.32 1sda n GLU 107 Cb 0.00 -3.45 0.00 0.00 -0.02 0.00 0.00 31.44 27.97 1sda n GLU 107 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1sda n SER 109 N 9.13 0.00 -0.43 1.62 2.88 -1.22 -4.88 113.62 120.73 1sda n SER 109 Ca 0.49 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.15 1sda n SER 109 Cb 0.44 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.16 1sda n SER 109 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1sda n ILE 110 N 0.00 0.00 -1.73 2.46 -5.35 0.11 -4.91 119.36 109.94 1sda n ILE 110 Ca 0.00 -0.22 -0.42 0.00 -0.27 0.00 0.00 62.75 61.84 1sda n ILE 110 Cb 0.00 0.78 -0.03 0.00 -1.74 0.00 0.00 39.64 38.65 1sda n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1sda s ILE 111 N -2.36 2.95 0.00 7.28 -1.09 -1.26 -0.93 121.20 125.78 1sda s ILE 111 Ca 0.25 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.80 1sda s ILE 111 Cb 0.19 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 1sda s ILE 111 CO 0.48 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 1sda n GLY 112 N 4.38 0.74 0.00 6.18 0.00 0.75 -5.01 105.19 112.23 1sda n GLY 112 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1sda n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sda n ARG 113 N -2.13 1.75 -4.23 1.61 1.74 -0.10 -2.14 116.66 113.16 1sda n ARG 113 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1sda n ARG 113 Cb 0.00 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.27 1sda n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sda s THR 114 N 1.27 1.43 -0.18 0.55 2.01 -0.81 -1.31 115.64 118.60 1sda s THR 114 Ca 0.00 -0.58 -0.24 0.00 0.31 0.00 0.00 61.69 61.18 1sda s THR 114 Cb 0.00 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 1sda s THR 114 CO 0.00 0.43 0.78 -0.32 -0.69 0.00 0.00 174.62 174.83 1sda s MET 115 N 1.26 4.27 -0.09 4.92 1.75 -0.39 0.87 119.30 131.89 1sda s MET 115 Ca -0.01 0.92 0.05 0.00 -1.25 0.00 0.00 55.69 55.39 1sda s MET 115 Cb -0.14 -3.58 -0.00 0.00 2.84 0.00 0.00 34.83 33.95 1sda s MET 115 CO -0.06 -0.32 -0.24 0.08 -0.65 0.00 0.00 175.02 173.83 1sda s VAL 116 N 2.14 2.05 -0.18 10.11 1.01 0.67 -1.79 120.40 134.41 1sda s VAL 116 Ca 0.36 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 1sda s VAL 116 Cb -0.16 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 1sda s VAL 116 CO 0.12 0.56 0.13 -0.69 0.00 0.00 0.00 175.10 175.22 1sda s VAL 117 N 0.19 5.43 0.17 2.92 1.01 -0.92 -1.19 120.40 128.02 1sda s VAL 117 Ca -0.14 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1sda s VAL 117 Cb -0.17 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1sda s VAL 117 CO 0.07 0.48 0.30 -1.00 0.00 0.00 0.00 175.10 174.96 1sda s HIS 118 N 0.01 3.48 0.15 5.22 3.76 0.12 -1.39 115.29 126.63 1sda s HIS 118 Ca 0.10 0.08 -0.13 0.00 -0.15 0.00 0.00 55.06 54.96 1sda s HIS 118 Cb -0.11 -1.64 0.02 0.00 1.11 0.00 0.00 32.58 31.96 1sda s HIS 118 CO -0.00 0.50 1.63 1.49 -0.85 0.00 0.00 174.74 177.50 1sda h GLU 119 N 1.88 0.80 -6.29 1.40 4.81 -1.06 -3.38 114.58 112.74 1sda h GLU 119 Ca -0.49 -0.21 -0.59 0.00 -0.13 0.00 0.00 59.36 57.94 1sda h GLU 119 Cb 1.20 -0.09 -0.10 0.00 0.63 0.00 0.00 28.75 30.39 1sda h GLU 119 CO 0.67 0.80 -0.63 0.15 -0.73 0.00 0.00 179.01 179.26 1sda s LYS 120 N -5.20 2.50 0.62 1.92 1.02 0.12 -4.85 119.74 115.88 1sda s LYS 120 Ca -0.13 -1.10 -0.19 0.00 0.02 0.00 0.00 55.97 54.57 1sda s LYS 120 Cb 0.11 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 35.01 1sda s LYS 120 CO 0.80 0.45 1.25 -2.30 -0.92 0.00 0.00 175.35 174.63 1sda n PRO 121 N -0.32 1.19 -2.89 -1.68 -0.02 -1.12 -1.36 135.00 128.81 1sda n PRO 121 Ca -0.09 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 1sda n PRO 121 Cb 0.56 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 1sda n PRO 121 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1sda s ASP 122 N -1.26 7.01 0.00 2.55 -1.08 -1.26 -3.98 116.67 118.65 1sda s ASP 122 Ca 0.80 1.23 0.22 0.00 -0.52 0.00 0.00 52.55 54.28 1sda s ASP 122 Cb -0.39 -2.46 1.31 0.00 -1.46 0.00 0.00 42.92 39.91 1sda s ASP 122 CO 0.43 -0.34 1.84 -0.90 0.52 0.00 0.00 175.17 176.72 1sda n ASP 123 N 4.86 0.01 -2.76 -0.34 5.68 -0.35 -4.87 116.55 118.78 1sda n ASP 123 Ca 0.04 -1.32 -0.22 0.00 -0.50 0.00 0.00 54.79 52.79 1sda n ASP 123 Cb 0.49 -0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.49 1sda n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sda n LEU 124 N -0.84 -2.35 0.00 -2.12 4.77 -1.26 -2.08 117.00 113.12 1sda n LEU 124 Ca 0.16 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1sda n LEU 124 Cb 0.08 -2.95 0.00 0.00 -2.33 0.00 0.00 43.42 38.22 1sda n LEU 124 CO 0.12 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1sda n GLY 125 N -1.30 0.81 2.68 -0.72 0.00 -1.25 -3.86 105.19 101.54 1sda n GLY 125 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1sda n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sda n ARG 126 N -2.35 3.43 -4.11 1.61 1.74 -0.89 -4.61 116.66 111.48 1sda n ARG 126 Ca 0.00 -4.68 -0.12 0.00 -0.77 0.00 0.00 57.85 52.28 1sda n ARG 126 Cb 0.00 -2.34 -0.11 0.00 -1.02 0.00 0.00 32.46 29.00 1sda n ARG 126 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1sda s GLY 127 N -2.38 0.63 -1.07 -0.13 0.00 -1.26 -5.02 107.32 98.09 1sda s GLY 127 Ca 0.39 -1.05 -0.15 0.00 0.00 0.00 0.00 44.72 43.91 1sda s GLY 127 CO -0.01 -1.13 2.15 0.61 0.00 0.00 0.00 173.10 174.72 1sda n GLY 128 N 0.72 3.34 0.00 0.20 0.00 -1.26 -4.77 105.19 103.42 1sda n GLY 128 Ca -0.18 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1sda n GLY 128 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sda n ASN 129 N 6.01 0.00 -0.00 1.61 0.23 -1.26 -5.06 115.26 116.79 1sda n ASN 129 Ca 0.52 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.61 1sda n ASN 129 Cb 0.32 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.97 1sda n ASN 129 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1sda n GLU 130 N -0.22 0.90 0.22 -3.83 -0.00 -1.26 -4.10 120.64 112.35 1sda n GLU 130 Ca 0.00 -0.06 0.06 0.00 -0.00 0.00 0.00 57.16 57.16 1sda n GLU 130 Cb 0.00 -1.13 0.52 0.00 -0.00 0.00 0.00 31.44 30.83 1sda n GLU 130 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1sda h GLU 131 N 0.00 0.00 -0.97 3.44 4.57 -1.97 -2.55 114.58 117.10 1sda h GLU 131 Ca 0.00 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.31 1sda h GLU 131 Cb 0.31 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.82 1sda h GLU 131 CO 0.00 0.19 0.62 1.03 -1.18 0.00 0.00 179.01 179.67 1sda h SER 132 N 0.00 0.85 -0.04 1.04 0.87 -1.89 0.32 113.55 114.69 1sda h SER 132 Ca -0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1sda h SER 132 Cb 0.35 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1sda h SER 132 CO 0.02 0.44 0.00 0.35 -0.53 0.00 0.00 176.83 177.12 1sda n THR 133 N -4.61 0.05 0.02 2.23 -2.24 -0.96 -2.01 114.28 106.77 1sda n THR 133 Ca 0.19 -0.10 -0.02 0.00 -2.27 0.00 0.00 64.05 61.85 1sda n THR 133 Cb 0.39 -0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.50 1sda n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sda n LYS 134 N -0.49 0.07 0.00 -0.78 4.76 0.13 -1.56 118.16 120.29 1sda n LYS 134 Ca 0.15 0.03 0.03 0.00 -2.87 0.00 0.00 58.31 55.65 1sda n LYS 134 Cb 0.14 -0.63 0.01 0.00 -1.84 0.00 0.00 35.03 32.71 1sda n LYS 134 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1sda n THR 135 N -3.57 0.00 -1.07 -0.18 -2.24 0.89 -4.60 114.28 103.50 1sda n THR 135 Ca -0.03 -0.45 -0.02 0.00 -2.27 0.00 0.00 64.05 61.27 1sda n THR 135 Cb 0.13 1.10 -0.01 0.00 -2.10 0.00 0.00 70.33 69.46 1sda n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sda n GLY 136 N 0.63 0.41 4.03 3.38 0.00 -0.85 -2.82 105.19 109.98 1sda n GLY 136 Ca 0.03 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1sda n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sda n ASN 137 N -0.53 -2.49 0.00 1.61 3.02 -1.26 -1.21 115.26 114.40 1sda n ASN 137 Ca -0.02 -0.95 0.11 0.00 -0.03 0.00 0.00 54.58 53.69 1sda n ASN 137 Cb 0.33 -3.18 0.64 0.00 -0.61 0.00 0.00 39.78 36.97 1sda n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sda n ALA 138 N -4.45 2.54 -0.72 5.41 0.00 -1.13 -4.71 120.51 117.45 1sda n ALA 138 Ca -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1sda n ALA 138 Cb 0.58 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1sda n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sda n GLY 139 N 0.72 0.37 3.29 0.00 0.00 -1.26 0.11 105.19 108.41 1sda n GLY 139 Ca 0.16 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1sda n GLY 139 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sda n SER 140 N -2.07 -2.54 -4.33 1.61 7.64 -1.26 -4.50 113.62 108.16 1sda n SER 140 Ca 0.00 -0.28 -0.38 0.00 1.01 0.00 0.00 58.87 59.21 1sda n SER 140 Cb 0.00 -1.02 -0.12 0.00 -1.01 0.00 0.00 64.21 62.06 1sda n SER 140 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1sda s ARG 141 N -3.92 2.88 -0.02 1.43 3.00 -1.26 -1.17 118.95 119.88 1sda s ARG 141 Ca 0.59 -1.01 -0.08 0.00 0.00 0.00 0.00 55.73 55.22 1sda s ARG 141 Cb -0.15 -3.51 -0.30 0.00 0.00 0.00 0.00 34.95 30.99 1sda s ARG 141 CO 0.61 -0.58 0.76 -0.07 0.00 0.00 0.00 175.30 176.02 1sda h LEU 142 N 8.29 0.55 -7.06 2.53 3.38 -1.53 -3.48 115.31 117.99 1sda h LEU 142 Ca -0.27 -0.79 -0.06 0.00 0.09 0.00 0.00 57.88 56.85 1sda h LEU 142 Cb 1.11 -0.18 -0.19 0.00 0.09 0.00 0.00 40.66 41.49 1sda h LEU 142 CO 0.62 1.66 0.14 0.00 0.09 0.00 0.00 178.44 180.95 1sda s ALA 143 N -2.59 -1.64 0.15 1.53 0.00 -1.23 -4.15 121.76 113.82 1sda s ALA 143 Ca -0.13 1.14 -0.20 0.00 0.00 0.00 0.00 51.96 52.78 1sda s ALA 143 Cb 0.06 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.30 1sda s ALA 143 CO 0.86 -0.39 0.52 0.00 0.00 0.00 0.00 175.76 176.75 1sda s GLY 145 N -2.79 -0.44 -0.08 0.00 0.00 -0.74 -1.84 107.32 101.42 1sda s GLY 145 Ca 0.03 1.02 -0.30 0.00 0.00 0.00 0.00 44.72 45.47 1sda s GLY 145 CO -0.11 0.71 1.22 0.14 0.00 0.00 0.00 173.10 175.07 1sda s VAL 146 N -1.19 4.25 -0.22 1.40 1.01 -1.26 -1.26 120.40 123.12 1sda s VAL 146 Ca -0.11 1.56 -0.29 0.00 0.00 0.00 0.00 61.98 63.13 1sda s VAL 146 Cb -0.02 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1sda s VAL 146 CO 0.08 -0.04 1.32 -0.63 0.00 0.00 0.00 175.10 175.83 1sda s ILE 147 N 2.57 4.16 0.35 2.22 1.01 -0.42 -4.58 121.20 126.51 1sda s ILE 147 Ca 0.56 1.35 0.09 0.00 0.00 0.00 0.00 60.65 62.65 1sda s ILE 147 Cb -0.24 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 1sda s ILE 147 CO 0.20 -0.29 0.04 -0.83 0.00 0.00 0.00 174.94 174.06 1sda s GLY 148 N 2.54 2.12 0.16 6.18 0.00 0.54 -0.18 107.32 118.68 1sda s GLY 148 Ca 0.57 -1.99 -0.30 0.00 0.00 0.00 0.00 44.72 42.99 1sda s GLY 148 CO 0.20 -1.91 1.25 -0.42 0.00 0.00 0.00 173.10 172.22 1sda s ILE 149 N -2.54 3.52 -0.08 0.90 1.01 -1.26 -0.11 121.20 122.64 1sda s ILE 149 Ca 0.36 1.21 0.04 0.00 0.00 0.00 0.00 60.65 62.26 1sda s ILE 149 Cb 0.01 -3.77 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 1sda s ILE 149 CO 0.20 0.16 -0.01 0.00 0.00 0.00 0.00 174.94 175.28 1sda n ALA 150 N 2.98 1.81 -1.90 9.38 0.00 -0.09 -4.75 120.51 127.94 1sda n ALA 150 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1sda n ALA 150 Cb 0.44 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1sda n ALA 150 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13