#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 1.27 -4.50 0.00 -1.04 -1.26 -4.66 114.28 104.09 1sda n THR 2 Ca 0.00 -0.66 -0.23 0.00 -2.04 0.00 0.00 64.05 61.13 1sda n THR 2 Cb 0.00 -0.85 -0.16 0.00 -1.82 0.00 0.00 70.33 67.50 1sda n THR 2 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1sda s LYS 3 N -2.45 1.37 0.41 -2.82 1.02 -1.26 -1.46 119.74 114.56 1sda s LYS 3 Ca -0.18 -0.36 0.05 0.00 0.02 0.00 0.00 55.97 55.50 1sda s LYS 3 Cb 0.06 -1.20 -0.06 0.00 -0.52 0.00 0.00 37.83 36.12 1sda s LYS 3 CO 0.65 0.06 0.03 0.00 -0.92 0.00 0.00 175.35 175.17 1sda s ALA 4 N 0.50 3.19 -0.03 5.17 0.00 0.30 -1.02 121.76 129.87 1sda s ALA 4 Ca -0.10 -1.75 -0.20 0.00 0.00 0.00 0.00 51.96 49.92 1sda s ALA 4 Cb -0.13 0.29 0.04 0.00 0.00 0.00 0.00 23.12 23.32 1sda s ALA 4 CO 0.02 -0.16 0.42 0.54 0.00 0.00 0.00 175.76 176.59 1sda s VAL 5 N -2.91 0.04 -0.06 0.00 0.11 -0.29 -1.34 120.40 115.94 1sda s VAL 5 Ca 0.28 -0.33 -0.03 0.00 -2.93 0.00 0.00 61.98 58.98 1sda s VAL 5 Cb 0.07 -0.73 0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1sda s VAL 5 CO 0.14 -0.18 0.13 0.00 -3.33 0.00 0.00 175.10 171.86 1sda s VAL 7 N 1.47 4.63 0.02 0.00 0.11 -1.26 -0.08 120.40 125.29 1sda s VAL 7 Ca -0.06 -0.27 -0.24 0.00 -2.93 0.00 0.00 61.98 58.48 1sda s VAL 7 Cb -0.12 -3.29 -0.05 0.00 -1.53 0.00 0.00 36.38 31.39 1sda s VAL 7 CO -0.05 0.16 0.74 -0.76 -3.33 0.00 0.00 175.10 171.86 1sda s LEU 8 N 1.64 4.42 0.02 2.54 1.43 -0.14 -3.93 118.68 124.65 1sda s LEU 8 Ca 0.05 1.37 -0.17 0.00 -1.03 0.00 0.00 54.13 54.36 1sda s LEU 8 Cb -0.16 -3.18 0.03 0.00 0.03 0.00 0.00 46.19 42.91 1sda s LEU 8 CO 0.06 -0.01 0.37 -0.54 0.23 0.00 0.00 176.35 176.46 1sda s LYS 9 N 0.12 0.82 -0.01 1.70 1.02 -0.47 -2.60 119.74 120.32 1sda s LYS 9 Ca 0.38 -0.31 -0.30 0.00 0.02 0.00 0.00 55.97 55.76 1sda s LYS 9 Cb -0.20 0.37 0.12 0.00 -0.52 0.00 0.00 37.83 37.60 1sda s LYS 9 CO 0.22 -0.26 1.28 0.20 -0.92 0.00 0.00 175.35 175.86 1sda s GLY 10 N -1.77 -0.40 0.06 -3.33 0.00 -1.26 -1.71 107.32 98.92 1sda s GLY 10 Ca -0.08 0.66 -0.31 0.00 0.00 0.00 0.00 44.72 44.99 1sda s GLY 10 CO 0.00 0.27 1.93 1.22 0.00 0.00 0.00 173.10 176.51 1sda n ASP 11 N -0.51 4.09 0.00 1.64 8.00 -1.26 -4.70 116.55 123.81 1sda n ASP 11 Ca -0.08 0.93 0.00 0.00 0.71 0.00 0.00 54.79 56.35 1sda n ASP 11 Cb 0.63 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 1sda n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sda n GLY 12 N 4.44 1.19 0.03 0.44 0.00 -1.26 -4.85 105.19 105.17 1sda n GLY 12 Ca 0.19 -2.26 0.13 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.80 0.09 -2.27 1.61 -0.05 -1.26 -4.81 135.00 127.51 1sda n PRO 13 Ca 0.00 0.05 -0.43 0.00 -0.05 0.00 0.00 63.50 63.08 1sda n PRO 13 Cb 0.00 -1.58 -0.02 0.00 -0.05 0.00 0.00 33.50 31.84 1sda n PRO 13 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 1sda s VAL 14 N -3.04 3.97 0.12 0.52 1.01 -1.26 -4.54 120.40 117.18 1sda s VAL 14 Ca 0.12 1.22 -0.09 0.00 0.00 0.00 0.00 61.98 63.23 1sda s VAL 14 Cb 0.17 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1sda s VAL 14 CO 0.61 -0.08 0.23 0.00 0.00 0.00 0.00 175.10 175.86 1sda s GLN 15 N 3.32 0.98 -0.01 2.72 -2.07 -0.75 -4.06 119.66 119.79 1sda s GLN 15 Ca 0.62 -1.07 -0.28 0.00 -1.82 0.00 0.00 55.36 52.81 1sda s GLN 15 Cb -0.27 0.35 0.10 0.00 -1.09 0.00 0.00 33.01 32.10 1sda s GLN 15 CO 0.22 -0.33 1.28 0.20 -1.32 0.00 0.00 175.29 175.33 1sda s GLY 16 N -2.91 -0.13 -0.02 2.60 0.00 -1.07 -0.21 107.32 105.58 1sda s GLY 16 Ca 0.11 0.06 -0.00 0.00 0.00 0.00 0.00 44.72 44.88 1sda s GLY 16 CO -0.06 5.31 0.03 -1.59 0.00 0.00 0.00 173.10 176.79 1sda s THR 17 N -2.05 -0.04 -0.06 0.90 2.01 -0.43 -0.97 115.64 115.01 1sda s THR 17 Ca 0.29 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.45 1sda s THR 17 Cb -0.00 -0.07 0.01 0.00 0.01 0.00 0.00 72.50 72.45 1sda s THR 17 CO -0.01 0.05 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.19 1sda s ILE 18 N 0.66 1.36 0.07 1.82 -1.09 0.89 -2.14 121.20 122.76 1sda s ILE 18 Ca -0.05 -0.63 0.07 0.00 -2.23 0.00 0.00 60.65 57.80 1sda s ILE 18 Cb -0.08 -1.20 -0.04 0.00 -1.58 0.00 0.00 42.46 39.57 1sda s ILE 18 CO -0.02 0.40 -0.12 -1.00 -1.23 0.00 0.00 174.94 172.97 1sda s HIS 19 N 0.41 2.70 -0.04 3.97 3.76 0.27 -0.29 115.29 126.07 1sda s HIS 19 Ca -0.12 -0.17 0.01 0.00 -0.15 0.00 0.00 55.06 54.64 1sda s HIS 19 Cb -0.15 -1.47 0.02 0.00 1.11 0.00 0.00 32.58 32.10 1sda s HIS 19 CO 0.04 0.37 -0.05 -0.06 -0.85 0.00 0.00 174.74 174.19 1sda s PHE 20 N -1.09 0.74 -0.04 1.40 0.40 -0.45 -1.29 117.98 117.65 1sda s PHE 20 Ca 0.18 -0.20 -0.01 0.00 -0.60 0.00 0.00 56.93 56.30 1sda s PHE 20 Cb -0.11 -0.64 0.03 0.00 0.51 0.00 0.00 43.02 42.81 1sda s PHE 20 CO 0.10 -0.17 0.04 -1.83 0.70 0.00 0.00 175.22 174.06 1sda s GLU 21 N 0.81 0.03 -0.15 0.44 -1.05 -0.67 -0.54 118.70 117.58 1sda s GLU 21 Ca -0.11 0.30 -0.29 0.00 -0.15 0.00 0.00 54.97 54.72 1sda s GLU 21 Cb -0.14 -0.52 -0.04 0.00 -0.44 0.00 0.00 34.13 32.99 1sda s GLU 21 CO 0.00 -0.29 1.75 0.00 0.95 0.00 0.00 175.26 177.68 1sda s ALA 22 N 1.90 3.32 -1.05 -0.84 0.00 -0.54 -1.33 121.76 123.22 1sda s ALA 22 Ca 0.02 0.73 -0.08 0.00 0.00 0.00 0.00 51.96 52.64 1sda s ALA 22 Cb -0.12 -3.86 0.26 0.00 0.00 0.00 0.00 23.12 19.40 1sda s ALA 22 CO -0.03 -1.89 1.02 0.15 0.00 0.00 0.00 175.76 175.01 1sda s LYS 23 N 4.73 3.97 7.96 0.00 3.01 -0.11 -4.95 119.74 134.34 1sda s LYS 23 Ca 0.78 -3.20 0.00 0.00 -1.01 0.00 0.00 55.97 52.55 1sda s LYS 23 Cb -0.30 -4.42 0.00 0.00 -1.01 0.00 0.00 37.83 32.10 1sda s LYS 23 CO 0.32 -1.25 0.00 0.41 0.51 0.00 0.00 175.35 175.34 1sda n GLY 24 N 2.69 2.64 1.42 -3.33 0.00 -1.26 -2.98 105.19 104.37 1sda n GLY 24 Ca 0.23 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 8.93 4.79 -4.55 1.61 9.92 -1.26 -4.86 116.55 131.13 1sda n ASP 25 Ca 0.00 -2.86 -0.24 0.00 -0.53 0.00 0.00 54.79 51.16 1sda n ASP 25 Cb 0.00 -0.60 -0.09 0.00 -0.64 0.00 0.00 41.12 39.79 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 -2.58 2.96 -0.21 -3.53 -4.23 -1.16 -4.59 115.64 102.30 1sda s THR 26 Ca 0.48 -2.06 -0.03 0.00 -1.18 0.00 0.00 61.69 58.90 1sda s THR 26 Cb 0.36 -2.54 -0.00 0.00 1.34 0.00 0.00 72.50 71.66 1sda s THR 26 CO 0.14 -0.32 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.13 1sda s VAL 27 N -2.24 3.03 -0.14 2.29 1.01 0.16 -0.94 120.40 123.57 1sda s VAL 27 Ca 0.29 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 1sda s VAL 27 Cb -0.06 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 1sda s VAL 27 CO 0.16 0.45 0.74 -0.69 0.00 0.00 0.00 175.10 175.77 1sda s VAL 28 N 1.43 4.97 0.01 2.92 1.01 -0.44 -0.80 120.40 129.49 1sda s VAL 28 Ca 0.06 1.46 0.04 0.00 0.00 0.00 0.00 61.98 63.54 1sda s VAL 28 Cb -0.14 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1sda s VAL 28 CO -0.06 0.12 -0.11 -0.69 0.00 0.00 0.00 175.10 174.36 1sda s VAL 29 N 1.65 3.32 -0.10 2.92 1.01 0.13 -1.67 120.40 127.66 1sda s VAL 29 Ca 0.36 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 1sda s VAL 29 Cb -0.17 -2.41 0.06 0.00 0.00 0.00 0.00 36.38 33.87 1sda s VAL 29 CO 0.14 0.41 0.65 -0.89 0.00 0.00 0.00 175.10 175.40 1sda s THR 30 N -0.94 0.00 -4.57 3.92 2.01 -0.41 -1.60 115.64 114.06 1sda s THR 30 Ca 0.16 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.12 1sda s THR 30 Cb -0.11 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.45 1sda s THR 30 CO 0.06 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 1sda n GLY 31 N 1.41 0.94 3.34 4.40 0.00 -1.17 0.97 105.19 115.09 1sda n GLY 31 Ca -0.18 -1.92 -0.15 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.37 0.07 1.61 1.04 -0.91 -0.47 113.70 110.66 1sda s SER 32 Ca 0.00 0.36 0.08 0.00 0.48 0.00 0.00 55.95 56.86 1sda s SER 32 Cb 0.00 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 1sda s SER 32 CO 0.00 -0.49 -0.21 -0.63 0.98 0.00 0.00 173.24 172.90 1sda s ILE 33 N -1.19 1.66 0.01 -1.02 1.09 -0.03 -1.31 121.20 120.42 1sda s ILE 33 Ca -0.12 -1.33 0.02 0.00 -1.10 0.00 0.00 60.65 58.12 1sda s ILE 33 Cb -0.03 -1.48 -0.01 0.00 -1.06 0.00 0.00 42.46 39.88 1sda s ILE 33 CO 0.06 0.09 -0.06 0.42 -0.10 0.00 0.00 174.94 175.36 1sda s THR 34 N -0.94 0.43 0.00 2.92 -4.23 0.71 -0.82 115.64 113.71 1sda s THR 34 Ca 0.07 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 1sda s THR 34 Cb -0.09 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.33 1sda s THR 34 CO 0.03 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1sda n GLY 35 N 2.46 1.17 3.92 3.99 0.00 -0.60 -1.81 105.19 114.33 1sda n GLY 35 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 0.43 0.99 1.43 -1.03 -4.25 118.68 120.10 1sda s LEU 36 Ca 0.00 0.69 -0.23 0.00 -1.03 0.00 0.00 54.13 53.56 1sda s LEU 36 Cb 0.00 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.54 1sda s LEU 36 CO 0.00 -0.42 1.08 0.42 0.23 0.00 0.00 176.35 177.66 1sda s THR 37 N -2.50 3.55 0.22 5.49 -4.23 -1.26 -3.98 115.64 112.93 1sda s THR 37 Ca 0.44 1.14 -0.29 0.00 -1.18 0.00 0.00 61.69 61.80 1sda s THR 37 Cb -0.10 -3.56 -0.16 0.00 1.34 0.00 0.00 72.50 70.02 1sda s THR 37 CO 0.40 -0.04 0.76 1.21 -0.54 0.00 0.00 174.62 176.40 1sda n GLU 38 N -0.36 0.56 0.00 3.99 2.13 -1.26 -4.58 120.64 121.12 1sda n GLU 38 Ca 0.06 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.08 1sda n GLU 38 Cb 0.50 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.83 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 1.70 -0.99 3.84 8.31 0.00 -0.47 -4.87 105.19 112.71 1sda n GLY 39 Ca 0.15 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 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 6.81 -0.00 1.61 1.01 -1.26 0.38 116.67 121.22 1sda s ASP 40 Ca 0.00 1.05 -0.00 0.00 0.71 0.00 0.00 52.55 54.31 1sda s ASP 40 Cb 0.00 -2.28 0.01 0.00 1.01 0.00 0.00 42.92 41.66 1sda s ASP 40 CO 0.00 0.12 0.01 -1.00 0.21 0.00 0.00 175.17 174.51 1sda s HIS 41 N -1.44 0.00 0.44 4.23 3.76 0.12 -3.41 115.29 118.99 1sda s HIS 41 Ca 0.37 0.03 -0.26 0.00 -0.15 0.00 0.00 55.06 55.05 1sda s HIS 41 Cb -0.15 -0.04 -0.09 0.00 1.11 0.00 0.00 32.58 33.42 1sda s HIS 41 CO 0.19 -0.02 1.45 0.20 -0.85 0.00 0.00 174.74 175.71 1sda s GLY 42 N 0.17 2.92 -0.22 -2.22 0.00 0.51 -0.62 107.32 107.87 1sda s GLY 42 Ca -0.01 1.51 -0.04 0.00 0.00 0.00 0.00 44.72 46.17 1sda s GLY 42 CO -0.00 2.14 0.14 -0.12 0.00 0.00 0.00 173.10 175.25 1sda s PHE 43 N -1.18 0.09 0.08 1.90 5.36 -0.37 0.63 117.98 124.49 1sda s PHE 43 Ca 0.60 -0.37 0.02 0.00 -0.96 0.00 0.00 56.93 56.22 1sda s PHE 43 Cb -0.45 -0.67 -0.04 0.00 -0.34 0.00 0.00 43.02 41.52 1sda s PHE 43 CO 0.58 -0.65 -0.08 -1.01 -1.46 0.00 0.00 175.22 172.61 1sda s HIS 44 N 2.18 0.86 -0.35 10.12 3.76 -0.08 -3.20 115.29 128.57 1sda s HIS 44 Ca 0.05 -0.73 -0.16 0.00 -0.15 0.00 0.00 55.06 54.07 1sda s HIS 44 Cb -0.16 -0.49 -0.01 0.00 1.11 0.00 0.00 32.58 33.03 1sda s HIS 44 CO -0.19 -0.10 0.42 0.08 -0.85 0.00 0.00 174.74 174.10 1sda s VAL 45 N -2.66 5.11 0.26 -0.90 1.01 0.06 -0.42 120.40 122.85 1sda s VAL 45 Ca 0.04 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 1sda s VAL 45 Cb -0.01 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1sda s VAL 45 CO -0.02 -0.16 0.46 -1.00 0.00 0.00 0.00 175.10 174.38 1sda s HIS 46 N 2.16 3.48 0.06 5.22 3.76 0.48 -0.90 115.29 129.55 1sda s HIS 46 Ca 0.14 0.36 -0.21 0.00 -0.15 0.00 0.00 55.06 55.20 1sda s HIS 46 Cb -0.16 -1.88 -0.12 0.00 1.11 0.00 0.00 32.58 31.53 1sda s HIS 46 CO 0.12 0.28 1.50 0.37 -0.85 0.00 0.00 174.74 176.16 1sda h GLN 47 N 1.55 0.26 -5.64 1.40 4.15 0.51 -2.86 115.11 114.47 1sda h GLN 47 Ca -0.49 -0.08 -0.65 0.00 0.77 0.00 0.00 58.65 58.20 1sda h GLN 47 Cb 1.20 -0.03 -0.14 0.00 0.21 0.00 0.00 27.48 28.72 1sda h GLN 47 CO 0.65 0.48 -0.58 -0.06 -1.93 0.00 0.00 178.83 177.39 1sda s PHE 48 N -5.02 3.25 -0.22 3.99 0.08 0.33 -4.66 117.98 115.73 1sda s PHE 48 Ca -0.14 0.17 -0.06 0.00 0.12 0.00 0.00 56.93 57.02 1sda s PHE 48 Cb 0.06 -1.92 -0.17 0.00 -0.57 0.00 0.00 43.02 40.42 1sda s PHE 48 CO 0.71 0.38 3.35 0.41 -0.10 0.00 0.00 175.22 179.97 1sda n GLY 49 N 2.66 3.46 3.15 4.36 0.00 -0.89 -3.88 105.19 114.04 1sda n GLY 49 Ca -0.18 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 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 1.54 4.85 -0.25 1.61 -1.08 -1.26 -4.94 116.67 117.13 1sda s ASP 50 Ca 0.65 -1.39 0.10 0.00 -0.52 0.00 0.00 52.55 51.38 1sda s ASP 50 Cb 0.33 -1.69 0.45 0.00 -1.46 0.00 0.00 42.92 40.54 1sda s ASP 50 CO -0.06 -0.28 1.19 0.59 0.52 0.00 0.00 175.17 177.13 1sda n ASN 51 N 4.57 3.52 0.15 -0.34 5.03 -1.26 -2.68 115.26 124.25 1sda n ASN 51 Ca -0.12 -3.62 0.03 0.00 0.87 0.00 0.00 54.58 51.73 1sda n ASN 51 Cb 0.43 -0.41 0.39 0.00 -1.02 0.00 0.00 39.78 39.17 1sda n ASN 51 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1sda h THR 52 N 2.20 1.19 -0.38 3.41 1.35 -1.93 -2.29 112.91 116.46 1sda h THR 52 Ca 0.19 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1sda h THR 52 Cb 1.36 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1sda h THR 52 CO 0.45 0.27 0.00 1.67 -0.25 0.00 0.00 175.52 177.66 1sda n GLN 53 N -4.23 3.40 0.00 4.72 -0.06 -1.26 -5.06 117.38 114.89 1sda n GLN 53 Ca -0.01 -2.81 0.00 0.00 -2.00 0.00 0.00 57.00 52.18 1sda n GLN 53 Cb 0.30 -1.86 0.00 0.00 -4.06 0.00 0.00 30.24 24.63 1sda n GLN 53 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1sda n GLY 54 N 0.03 0.42 0.06 1.69 0.00 -0.86 -4.08 105.19 102.45 1sda n GLY 54 Ca 0.22 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.36 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 1.36 0.00 0.00 1.35 -1.90 -2.60 112.91 111.12 1sda h THR 56 Ca 0.00 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 1sda h THR 56 Cb 0.73 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1sda h THR 56 CO 0.00 0.58 0.00 -1.54 -0.25 0.00 0.00 175.52 174.31 1sda n SER 57 N -3.90 0.00 0.10 5.36 3.41 -1.25 -2.98 113.62 114.35 1sda n SER 57 Ca -0.03 -1.25 0.13 0.00 -0.26 0.00 0.00 58.87 57.46 1sda n SER 57 Cb 0.62 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 65.00 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 -0.66 2.24 -0.10 7.33 0.00 -0.98 -4.33 120.51 124.01 1sda n ALA 58 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1sda n ALA 58 Cb 0.03 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 1.24 -1.39 1.99 0.00 0.00 -1.16 -0.52 105.19 105.35 1sda n GLY 59 Ca 0.05 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.04 -0.37 -0.91 1.61 -0.04 -1.26 -4.53 135.00 129.46 1sda n PRO 60 Ca 0.00 -1.17 -0.32 0.00 -0.04 0.00 0.00 63.50 61.97 1sda n PRO 60 Cb 0.00 -0.59 0.14 0.00 -0.04 0.00 0.00 33.50 33.02 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 -2.17 1.76 -0.41 0.54 3.76 -1.26 0.78 115.29 118.28 1sda s HIS 61 Ca 0.37 1.73 -0.29 0.00 -0.15 0.00 0.00 55.06 56.73 1sda s HIS 61 Cb -0.01 -3.38 0.02 0.00 1.11 0.00 0.00 32.58 30.32 1sda s HIS 61 CO 0.26 -2.75 1.16 0.12 -0.85 0.00 0.00 174.74 172.68 1sda s PHE 62 N -2.46 2.86 -0.40 1.40 5.36 -0.07 -4.30 117.98 120.36 1sda s PHE 62 Ca 0.69 0.85 0.11 0.00 -0.96 0.00 0.00 56.93 57.62 1sda s PHE 62 Cb -0.25 -4.18 0.34 0.00 -0.34 0.00 0.00 43.02 38.60 1sda s PHE 62 CO 0.55 -1.24 0.75 -1.71 -1.46 0.00 0.00 175.22 172.11 1sda n ASN 63 N 7.66 1.29 0.00 6.13 5.15 -1.26 -1.50 115.26 132.73 1sda n ASN 63 Ca 0.13 -3.09 0.10 0.00 -0.60 0.00 0.00 54.58 51.12 1sda n ASN 63 Cb 0.48 -0.61 0.60 0.00 -0.53 0.00 0.00 39.78 39.72 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 0.26 0.63 -0.17 1.20 -0.04 -1.26 -1.66 135.00 133.95 1sda n PRO 64 Ca 0.26 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.77 1sda n PRO 64 Cb 0.62 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.01 2.86 -4.10 1.53 4.77 -1.26 -5.00 117.00 114.79 1sda n LEU 65 Ca 0.15 -2.15 -0.32 0.00 -0.03 0.00 0.00 56.01 53.66 1sda n LEU 65 Cb 0.07 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 1sda n LEU 65 CO 0.12 0.68 -0.31 -1.20 -1.33 0.00 0.00 177.39 175.35 1sda n SER 66 N 0.16 -0.95 -4.96 -1.43 7.64 -0.67 -4.97 113.62 108.45 1sda n SER 66 Ca 0.11 -1.18 -0.19 0.00 1.01 0.00 0.00 58.87 58.63 1sda n SER 66 Cb 0.46 -2.22 -0.01 0.00 -1.01 0.00 0.00 64.21 61.43 1sda n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1sda s LYS 67 N -7.01 2.72 1.09 1.43 -0.14 -1.26 -5.13 119.74 111.44 1sda s LYS 67 Ca 0.14 -1.35 -0.18 0.00 -1.36 0.00 0.00 55.97 53.22 1sda s LYS 67 Cb -0.07 -2.61 0.25 0.00 -1.68 0.00 0.00 37.83 33.72 1sda s LYS 67 CO 0.95 -0.23 1.22 0.15 -0.76 0.00 0.00 175.35 176.68 1sda s LYS 68 N -4.26 -0.38 0.01 1.68 1.02 -1.26 -4.69 119.74 111.86 1sda s LYS 68 Ca 0.52 -0.27 -0.16 0.00 0.02 0.00 0.00 55.97 56.08 1sda s LYS 68 Cb -0.07 -1.71 -0.06 0.00 -0.52 0.00 0.00 37.83 35.47 1sda s LYS 68 CO 0.31 -3.12 0.45 -1.58 -0.92 0.00 0.00 175.35 170.49 1sda s HIS 69 N -3.45 3.74 0.11 3.18 5.65 -0.55 -2.26 115.29 121.70 1sda s HIS 69 Ca 0.73 1.05 -0.03 0.00 0.25 0.00 0.00 55.06 57.06 1sda s HIS 69 Cb -0.06 -2.35 0.01 0.00 -1.18 0.00 0.00 32.58 29.00 1sda s HIS 69 CO 0.55 0.60 0.19 0.41 -0.65 0.00 0.00 174.74 175.84 1sda n GLY 70 N 1.88 2.09 3.91 1.59 0.00 -1.24 -3.96 105.19 109.46 1sda n GLY 70 Ca -0.13 -1.20 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.58 1.63 0.32 -0.02 0.00 -1.20 -4.67 107.32 101.81 1sda s GLY 71 Ca 0.06 -0.72 0.26 0.00 0.00 0.00 0.00 44.72 44.32 1sda s GLY 71 CO 0.04 -0.30 1.77 -0.56 0.00 0.00 0.00 173.10 174.05 1sda h PRO 72 N -0.71 0.00 -0.63 2.90 0.13 -1.89 -1.48 132.00 130.31 1sda h PRO 72 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1sda h PRO 72 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1sda h PRO 72 CO 0.63 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.03 1sda n LYS 73 N -2.43 2.66 -4.40 0.86 4.01 -1.26 -4.96 118.16 112.65 1sda n LYS 73 Ca 0.02 -2.31 -0.35 0.00 -0.51 0.00 0.00 58.31 55.17 1sda n LYS 73 Cb 0.26 -1.56 -0.10 0.00 -0.51 0.00 0.00 35.03 33.11 1sda n LYS 73 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1sda s ASP 74 N -0.96 5.13 0.15 4.39 1.01 -0.56 -5.02 116.67 120.81 1sda s ASP 74 Ca 0.42 0.09 -0.17 0.00 0.71 0.00 0.00 52.55 53.61 1sda s ASP 74 Cb 0.23 -1.48 0.05 0.00 1.01 0.00 0.00 42.92 42.73 1sda s ASP 74 CO 0.27 0.35 1.75 -0.08 0.21 0.00 0.00 175.17 177.66 1sda h GLU 75 N 5.40 0.23 -5.06 8.23 4.57 -1.93 -3.33 114.58 122.69 1sda h GLU 75 Ca -0.48 -0.01 -0.67 0.00 -1.18 0.00 0.00 59.36 57.01 1sda h GLU 75 Cb 1.19 -0.05 -0.17 0.00 -0.16 0.00 0.00 28.75 29.55 1sda h GLU 75 CO 0.56 0.15 0.18 -1.21 -1.18 0.00 0.00 179.01 177.51 1sda s GLU 76 N -6.16 3.13 0.06 1.92 0.41 -1.26 -4.99 118.70 111.80 1sda s GLU 76 Ca -0.13 -0.92 -0.17 0.00 -0.41 0.00 0.00 54.97 53.34 1sda s GLU 76 Cb 0.12 -4.15 0.03 0.00 -1.78 0.00 0.00 34.13 28.35 1sda s GLU 76 CO 0.71 -1.40 0.40 -0.98 -0.49 0.00 0.00 175.26 173.50 1sda s ARG 77 N 2.97 0.94 0.51 1.61 1.70 -1.20 -3.68 118.95 121.80 1sda s ARG 77 Ca 0.17 -0.44 -0.20 0.00 -0.47 0.00 0.00 55.73 54.79 1sda s ARG 77 Cb -0.19 0.42 -0.07 0.00 -0.57 0.00 0.00 34.95 34.53 1sda s ARG 77 CO 0.11 -0.33 1.09 -1.01 -1.08 0.00 0.00 175.30 174.08 1sda s HIS 78 N -2.72 2.83 0.58 5.89 3.76 -0.96 -4.66 115.29 120.01 1sda s HIS 78 Ca -0.04 1.56 0.27 0.00 -0.15 0.00 0.00 55.06 56.70 1sda s HIS 78 Cb -0.00 -3.20 1.69 0.00 1.11 0.00 0.00 32.58 32.19 1sda s HIS 78 CO -0.04 -1.23 2.22 0.28 -0.85 0.00 0.00 174.74 175.11 1sda h VAL 79 N 1.41 0.61 -0.29 -0.90 2.07 -1.64 -1.75 116.25 115.77 1sda h VAL 79 Ca -0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1sda h VAL 79 Cb 1.24 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1sda h VAL 79 CO 0.58 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.78 1sda n GLY 80 N -1.38 0.56 3.44 2.17 0.00 -0.83 -4.26 105.19 104.89 1sda n GLY 80 Ca -0.02 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.22 6.25 -0.18 1.61 1.01 -0.66 -0.76 116.67 122.71 1sda s ASP 81 Ca 0.28 -1.25 0.16 0.00 0.71 0.00 0.00 52.55 52.45 1sda s ASP 81 Cb 0.15 -2.39 0.57 0.00 1.01 0.00 0.00 42.92 42.26 1sda s ASP 81 CO 0.21 -1.32 1.47 0.18 0.21 0.00 0.00 175.17 175.92 1sda n LEU 82 N 7.25 4.17 0.00 1.23 4.77 -1.19 -3.91 117.00 129.31 1sda n LEU 82 Ca -0.01 -2.96 0.00 0.00 -0.03 0.00 0.00 56.01 53.01 1sda n LEU 82 Cb 0.45 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1sda n LEU 82 CO 0.61 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.95 1sda n GLY 83 N -0.27 0.38 3.47 -0.72 0.00 -1.23 -4.84 105.19 101.98 1sda n GLY 83 Ca 0.22 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 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 3.66 -0.02 1.61 0.01 -1.26 -1.24 114.94 113.70 1sda s ASN 84 Ca 0.00 -0.83 0.02 0.00 -0.71 0.00 0.00 52.86 51.34 1sda s ASN 84 Cb 0.00 -0.37 0.00 0.00 0.41 0.00 0.00 41.25 41.29 1sda s ASN 84 CO 0.00 0.10 -0.08 0.54 -1.51 0.00 0.00 177.10 176.15 1sda s VAL 85 N -1.84 0.70 -0.22 1.60 0.11 0.21 -4.89 120.40 116.07 1sda s VAL 85 Ca 0.23 -0.34 -0.03 0.00 -2.93 0.00 0.00 61.98 58.92 1sda s VAL 85 Cb -0.08 -0.62 -0.00 0.00 -1.53 0.00 0.00 36.38 34.15 1sda s VAL 85 CO 0.12 0.22 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.16 1sda s THR 86 N 0.10 3.23 0.24 5.04 2.01 -1.26 0.15 115.64 125.15 1sda s THR 86 Ca -0.01 -0.55 -0.13 0.00 0.31 0.00 0.00 61.69 61.31 1sda s THR 86 Cb -0.07 -2.47 -0.08 0.00 0.01 0.00 0.00 72.50 69.89 1sda s THR 86 CO 0.00 0.43 0.62 0.00 -0.69 0.00 0.00 174.62 174.97 1sda s ALA 87 N 1.46 3.49 1.00 7.40 0.00 0.16 -4.19 121.76 131.07 1sda s ALA 87 Ca 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.88 1sda s ALA 87 Cb -0.14 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.42 1sda s ALA 87 CO -0.04 0.44 0.12 -0.40 0.00 0.00 0.00 175.76 175.88 1sda n ASP 88 N 0.02 -0.02 -0.11 0.00 5.68 0.35 -1.37 116.55 121.10 1sda n ASP 88 Ca 0.00 -1.03 0.24 0.00 -0.50 0.00 0.00 54.79 53.50 1sda n ASP 88 Cb 0.52 -0.09 0.69 0.00 -1.14 0.00 0.00 41.12 41.10 1sda n ASP 88 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1sda h LYS 89 N 0.00 0.03 -0.30 0.11 3.64 -1.96 -2.01 116.57 116.08 1sda h LYS 89 Ca -0.04 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1sda h LYS 89 Cb 0.11 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1sda h LYS 89 CO 0.03 0.02 0.00 0.09 -2.27 0.00 0.00 179.45 177.32 1sda n ASN 90 N -4.33 3.27 0.00 4.20 4.13 -1.26 -4.80 115.26 116.47 1sda n ASN 90 Ca 0.15 -1.96 0.00 0.00 1.68 0.00 0.00 54.58 54.45 1sda n ASN 90 Cb 0.79 -0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.84 1sda n ASN 90 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sda n GLY 91 N 1.37 0.81 3.63 7.41 0.00 -0.75 -4.59 105.19 113.06 1sda n GLY 91 Ca 0.17 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1sda n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sda s VAL 92 N -2.00 5.27 -0.20 1.61 1.01 -1.26 -1.55 120.40 123.28 1sda s VAL 92 Ca 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 1sda s VAL 92 Cb 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 1sda s VAL 92 CO 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 175.10 175.28 1sda s ALA 93 N 1.58 2.76 -0.28 5.51 0.00 -0.00 -0.50 121.76 130.83 1sda s ALA 93 Ca 0.11 -1.10 -0.13 0.00 0.00 0.00 0.00 51.96 50.84 1sda s ALA 93 Cb -0.15 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1sda s ALA 93 CO 0.08 -0.27 0.29 0.42 0.00 0.00 0.00 175.76 176.28 1sda s ILE 94 N 1.20 5.24 -0.01 0.00 -1.09 -1.26 -0.85 121.20 124.42 1sda s ILE 94 Ca 0.02 0.37 -0.17 0.00 -2.23 0.00 0.00 60.65 58.64 1sda s ILE 94 Cb -0.14 -3.62 -0.06 0.00 -1.58 0.00 0.00 42.46 37.06 1sda s ILE 94 CO -0.02 0.19 0.48 -0.69 -1.23 0.00 0.00 174.94 173.68 1sda s VAL 95 N 1.92 4.98 -0.42 2.92 1.01 0.38 -4.83 120.40 126.36 1sda s VAL 95 Ca 0.11 1.00 0.06 0.00 0.00 0.00 0.00 61.98 63.15 1sda s VAL 95 Cb -0.16 -3.80 0.18 0.00 0.00 0.00 0.00 36.38 32.60 1sda s VAL 95 CO 0.10 0.50 0.69 -0.62 0.00 0.00 0.00 175.10 175.77 1sda s ASP 96 N -0.61 -1.40 0.04 3.32 2.15 -1.24 -3.04 116.67 115.88 1sda s ASP 96 Ca 0.26 -0.86 0.06 0.00 0.43 0.00 0.00 52.55 52.44 1sda s ASP 96 Cb -0.17 1.80 -0.02 0.00 -0.30 0.00 0.00 42.92 44.23 1sda s ASP 96 CO 0.14 -0.14 -0.18 -0.63 -0.17 0.00 0.00 175.17 174.20 1sda s ILE 97 N 1.70 1.41 -0.08 4.11 1.01 -0.63 -4.98 121.20 123.75 1sda s ILE 97 Ca 0.18 -1.06 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1sda s ILE 97 Cb -0.03 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 1sda s ILE 97 CO -0.07 0.15 -0.20 0.68 0.00 0.00 0.00 174.94 175.49 1sda s VAL 98 N -0.77 2.47 -0.03 2.92 -7.23 -1.26 0.20 120.40 116.71 1sda s VAL 98 Ca 0.05 -0.90 0.04 0.00 -1.81 0.00 0.00 61.98 59.35 1sda s VAL 98 Cb -0.08 -1.95 -0.00 0.00 0.56 0.00 0.00 36.38 34.90 1sda s VAL 98 CO 0.01 0.56 -0.14 -0.62 -0.31 0.00 0.00 175.10 174.60 1sda s ASP 99 N -0.09 1.74 0.06 4.85 2.15 0.02 -4.95 116.67 120.45 1sda s ASP 99 Ca -0.04 -0.28 -0.13 0.00 0.43 0.00 0.00 52.55 52.53 1sda s ASP 99 Cb -0.14 -0.37 -0.28 0.00 -0.30 0.00 0.00 42.92 41.82 1sda s ASP 99 CO 0.04 0.14 1.11 -0.65 -0.17 0.00 0.00 175.17 175.64 1sda h PRO 100 N 6.11 0.55 0.00 4.34 0.11 -1.88 0.45 132.00 141.69 1sda h PRO 100 Ca -0.34 -0.78 -0.01 0.00 0.11 0.00 0.00 66.00 64.99 1sda h PRO 100 Cb 1.17 0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.54 1sda h PRO 100 CO 0.48 1.35 -0.03 1.25 -0.21 0.00 0.00 178.00 180.85 1sda h LEU 101 N 0.22 0.02-10.27 2.35 5.85 -1.91 -3.44 115.31 108.14 1sda h LEU 101 Ca -0.19 -0.86 -0.52 0.00 0.84 0.00 0.00 57.88 57.15 1sda h LEU 101 Cb 1.95 -0.01 0.15 0.00 0.37 0.00 0.00 40.66 43.12 1sda h LEU 101 CO 0.24 0.88 0.30 0.27 -0.34 0.00 0.00 178.44 179.79 1sda s ILE 102 N -2.77 2.74 0.17 4.05 -4.36 -1.26 -4.96 121.20 114.82 1sda s ILE 102 Ca -0.18 0.27 -0.05 0.00 -0.26 0.00 0.00 60.65 60.42 1sda s ILE 102 Cb -0.02 -2.61 -0.02 0.00 1.25 0.00 0.00 42.46 41.06 1sda s ILE 102 CO 0.69 -0.29 0.21 -0.55 0.24 0.00 0.00 174.94 175.24 1sda s SER 103 N -2.88 0.13 0.00 4.36 0.15 -1.26 -4.47 113.70 109.73 1sda s SER 103 Ca 0.65 -1.08 0.07 0.00 0.70 0.00 0.00 55.95 56.29 1sda s SER 103 Cb -0.21 0.40 -0.06 0.00 -1.71 0.00 0.00 66.02 64.44 1sda s SER 103 CO 0.54 -0.86 0.33 0.18 1.20 0.00 0.00 173.24 174.63 1sda n LEU 104 N -0.21 0.45 -4.11 3.45 4.77 -1.26 -1.26 117.00 118.83 1sda n LEU 104 Ca -0.04 -0.55 -0.10 0.00 -0.03 0.00 0.00 56.01 55.29 1sda n LEU 104 Cb 0.64 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.63 1sda n LEU 104 CO 0.28 0.10 -0.22 -0.44 -1.33 0.00 0.00 177.39 175.78 1sda s SER 105 N -1.55 0.23 0.77 -1.43 0.01 -1.26 -4.13 113.70 106.35 1sda s SER 105 Ca 0.03 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.15 1sda s SER 105 Cb 0.05 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1sda s SER 105 CO 0.26 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.74 1sda n GLY 106 N -0.14 1.84 3.42 3.44 0.00 -1.26 -4.22 105.19 108.26 1sda n GLY 106 Ca -0.05 -0.57 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 1sda n GLY 106 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sda s GLU 107 N 0.00 3.25 0.00 1.61 -1.05 -1.26 -4.97 118.70 116.27 1sda s GLU 107 Ca 0.00 -1.36 0.00 0.00 -0.15 0.00 0.00 54.97 53.46 1sda s GLU 107 Cb 0.00 -4.44 0.00 0.00 -0.44 0.00 0.00 34.13 29.25 1sda s GLU 107 CO 0.00 -1.67 0.00 0.45 0.95 0.00 0.00 175.26 174.99 1sda n SER 109 N 6.66 0.00 -1.02 0.83 2.88 -1.26 -4.76 113.62 116.95 1sda n SER 109 Ca 0.02 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.68 1sda n SER 109 Cb 0.45 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.07 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 0.29 -2.00 2.46 -5.35 -0.39 -4.91 119.36 109.47 1sda n ILE 110 Ca 0.00 -0.65 -0.42 0.00 -0.27 0.00 0.00 62.75 61.41 1sda n ILE 110 Cb 0.00 1.19 -0.03 0.00 -1.74 0.00 0.00 39.64 39.06 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 -1.63 2.93 0.00 7.28 -1.09 -1.26 -1.88 121.20 125.55 1sda s ILE 111 Ca 0.33 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.34 1sda s ILE 111 Cb 0.21 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 1sda s ILE 111 CO 0.29 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 1sda n GLY 112 N 3.75 0.59 2.32 6.18 0.00 0.15 -4.99 105.19 113.20 1sda n GLY 112 Ca 0.14 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.80 0.99 -5.08 1.61 1.74 -0.79 -2.10 116.66 110.23 1sda n ARG 113 Ca 0.00 -2.09 -0.32 0.00 -0.77 0.00 0.00 57.85 54.67 1sda n ARG 113 Cb 0.00 0.21 -0.16 0.00 -1.02 0.00 0.00 32.46 31.49 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 -1.64 2.38 -0.00 0.55 2.01 -1.08 0.04 115.64 117.90 1sda s THR 114 Ca 0.19 -0.91 -0.22 0.00 0.31 0.00 0.00 61.69 61.06 1sda s THR 114 Cb -0.02 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 1sda s THR 114 CO 0.12 0.55 0.66 -0.32 -0.69 0.00 0.00 174.62 174.95 1sda s MET 115 N 0.30 4.40 -0.07 4.92 1.75 -0.36 -0.39 119.30 129.85 1sda s MET 115 Ca -0.15 0.85 0.03 0.00 -1.25 0.00 0.00 55.69 55.17 1sda s MET 115 Cb -0.17 -3.37 0.01 0.00 2.84 0.00 0.00 34.83 34.13 1sda s MET 115 CO 0.08 0.28 -0.17 0.08 -0.65 0.00 0.00 175.02 174.63 1sda s VAL 116 N 0.07 1.51 -0.20 10.11 1.01 0.44 -2.13 120.40 131.21 1sda s VAL 116 Ca 0.34 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1sda s VAL 116 Cb -0.19 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1sda s VAL 116 CO 0.19 0.44 0.10 0.54 0.00 0.00 0.00 175.10 176.37 1sda s VAL 117 N 0.43 5.08 0.34 2.92 0.11 -0.54 -0.91 120.40 127.84 1sda s VAL 117 Ca -0.14 0.07 0.07 0.00 -2.93 0.00 0.00 61.98 59.05 1sda s VAL 117 Cb -0.16 -3.32 -0.01 0.00 -1.53 0.00 0.00 36.38 31.36 1sda s VAL 117 CO 0.05 0.43 0.43 -1.00 -3.33 0.00 0.00 175.10 171.68 1sda s HIS 118 N 0.55 3.04 0.01 1.54 3.76 0.20 -1.64 115.29 122.75 1sda s HIS 118 Ca 0.06 -0.26 -0.25 0.00 -0.15 0.00 0.00 55.06 54.46 1sda s HIS 118 Cb -0.12 -1.97 -0.18 0.00 1.11 0.00 0.00 32.58 31.42 1sda s HIS 118 CO 0.00 0.01 1.36 1.49 -0.85 0.00 0.00 174.74 176.76 1sda h GLU 119 N 0.97 -0.13 -6.01 1.40 4.81 -1.04 -3.35 114.58 111.22 1sda h GLU 119 Ca -0.45 0.01 -0.55 0.00 -0.13 0.00 0.00 59.36 58.24 1sda h GLU 119 Cb 1.26 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.62 1sda h GLU 119 CO 0.54 0.20 -0.35 0.15 -0.73 0.00 0.00 179.01 178.81 1sda s LYS 120 N -4.81 2.33 0.78 1.92 1.02 0.15 -4.85 119.74 116.29 1sda s LYS 120 Ca -0.15 -1.84 -0.11 0.00 0.02 0.00 0.00 55.97 53.89 1sda s LYS 120 Cb 0.03 -2.17 0.06 0.00 -0.52 0.00 0.00 37.83 35.23 1sda s LYS 120 CO 0.63 -0.41 1.10 -2.14 -0.92 0.00 0.00 175.35 173.61 1sda s PRO 121 N -4.18 2.14 -0.19 -1.68 0.02 -1.22 -0.36 135.00 129.54 1sda s PRO 121 Ca 0.40 1.26 -0.14 0.00 0.02 0.00 0.00 61.00 62.54 1sda s PRO 121 Cb -0.02 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 1sda s PRO 121 CO 0.24 -1.74 0.31 0.34 -0.33 0.00 0.00 177.00 175.82 1sda s ASP 122 N -3.18 6.39 0.00 2.53 -1.08 -1.26 -3.81 116.67 116.26 1sda s ASP 122 Ca 0.63 0.45 0.08 0.00 -0.52 0.00 0.00 52.55 53.19 1sda s ASP 122 Cb -0.19 -2.19 0.27 0.00 -1.46 0.00 0.00 42.92 39.35 1sda s ASP 122 CO 0.54 0.03 1.21 -0.90 0.52 0.00 0.00 175.17 176.57 1sda n ASP 123 N 4.01 1.20 -3.25 -0.34 5.68 -0.32 -4.89 116.55 118.65 1sda n ASP 123 Ca -0.11 -1.96 -0.23 0.00 -0.50 0.00 0.00 54.79 51.98 1sda n ASP 123 Cb 0.52 -0.14 0.02 0.00 -1.14 0.00 0.00 41.12 40.38 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 0.14 -2.31 -0.23 -2.12 4.77 -1.26 -1.60 117.00 114.38 1sda n LEU 124 Ca 0.08 -0.38 -0.03 0.00 -0.03 0.00 0.00 56.01 55.66 1sda n LEU 124 Cb 0.20 -2.64 -0.01 0.00 -2.33 0.00 0.00 43.42 38.63 1sda n LEU 124 CO 0.06 0.25 -0.03 0.61 -1.33 0.00 0.00 177.39 176.95 1sda n GLY 125 N -1.44 0.62 0.43 -0.72 0.00 -1.25 -3.22 105.19 99.60 1sda n GLY 125 Ca -0.06 -0.74 0.06 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.78 0.89 -1.67 1.61 1.74 -0.63 -4.66 116.66 111.16 1sda n ARG 126 Ca -0.03 -2.27 -0.30 0.00 -0.77 0.00 0.00 57.85 54.48 1sda n ARG 126 Cb 0.12 -1.12 0.18 0.00 -1.02 0.00 0.00 32.46 30.62 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 -2.40 1.69 0.00 -0.13 0.00 -1.26 -5.00 107.32 100.22 1sda s GLY 127 Ca 0.26 -1.00 0.25 0.00 0.00 0.00 0.00 44.72 44.22 1sda s GLY 127 CO -0.02 -0.26 1.43 0.61 0.00 0.00 0.00 173.10 174.86 1sda n GLY 128 N -2.84 -0.99 3.98 0.20 0.00 -1.26 -4.85 105.19 99.43 1sda n GLY 128 Ca 0.13 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 1sda n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sda s ASN 129 N -2.82 5.19 0.31 1.61 2.20 -1.26 -5.01 114.94 115.15 1sda s ASN 129 Ca 0.15 -0.76 0.05 0.00 -0.94 0.00 0.00 52.86 51.36 1sda s ASN 129 Cb 0.18 -0.10 0.51 0.00 -2.00 0.00 0.00 41.25 39.83 1sda s ASN 129 CO 0.65 -1.03 1.77 -0.33 -2.94 0.00 0.00 177.10 175.21 1sda h GLU 130 N 0.53 0.38 0.00 3.55 5.08 -2.01 -2.91 114.58 119.20 1sda h GLU 130 Ca -0.36 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 1sda h GLU 130 Cb 1.28 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1sda h GLU 130 CO 0.47 0.60 -0.18 1.49 -1.00 0.00 0.00 179.01 180.39 1sda h GLU 131 N 0.34 0.00 -0.64 2.33 4.57 -1.97 -2.15 114.58 117.06 1sda h GLU 131 Ca 0.05 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.31 1sda h GLU 131 Cb 0.62 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.15 1sda h GLU 131 CO 0.04 0.18 0.30 1.03 -1.18 0.00 0.00 179.01 179.38 1sda h SER 132 N 0.00 0.38 -0.36 1.04 0.87 -1.84 -0.18 113.55 113.46 1sda h SER 132 Ca -0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1sda h SER 132 Cb 0.44 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1sda h SER 132 CO 0.02 0.23 0.00 0.35 -0.53 0.00 0.00 176.83 176.91 1sda n THR 133 N -4.90 1.03 -0.00 2.23 -2.24 -0.81 -1.70 114.28 107.88 1sda n THR 133 Ca 0.09 -0.66 -0.02 0.00 -2.27 0.00 0.00 64.05 61.19 1sda n THR 133 Cb 0.24 -0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.40 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 0.52 0.13 0.00 -0.78 5.02 -0.23 -1.48 118.16 121.33 1sda n LYS 134 Ca 0.14 0.05 0.04 0.00 -2.02 0.00 0.00 58.31 56.53 1sda n LYS 134 Cb 0.56 -0.61 -0.05 0.00 -0.02 0.00 0.00 35.03 34.92 1sda n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sda n THR 135 N -3.32 0.00 -1.02 -0.18 -2.24 -0.34 -4.56 114.28 102.62 1sda n THR 135 Ca -0.03 -0.30 -0.01 0.00 -2.27 0.00 0.00 64.05 61.44 1sda n THR 135 Cb 0.13 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.19 0.48 3.78 3.38 0.00 -0.69 -3.63 105.19 109.71 1sda n GLY 136 Ca 0.02 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 0.91 -5.03 -0.02 1.61 3.02 -1.24 -1.17 115.26 113.33 1sda n ASN 137 Ca -0.01 -0.69 0.14 0.00 -0.03 0.00 0.00 54.58 53.99 1sda n ASN 137 Cb 0.04 -4.01 0.57 0.00 -0.61 0.00 0.00 39.78 35.77 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 -4.57 2.66 -0.37 5.41 0.00 -1.24 -4.64 120.51 117.76 1sda n ALA 138 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1sda n ALA 138 Cb 0.53 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 1.43 -0.34 3.69 0.00 0.00 -1.26 0.34 105.19 109.04 1sda n GLY 139 Ca 0.09 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 1sda n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sda s SER 140 N -4.00 2.63 -0.44 1.61 1.04 -1.26 -4.48 113.70 108.80 1sda s SER 140 Ca 0.00 1.12 -0.15 0.00 0.48 0.00 0.00 55.95 57.40 1sda s SER 140 Cb 0.00 -1.77 0.05 0.00 0.10 0.00 0.00 66.02 64.40 1sda s SER 140 CO 0.00 -3.12 0.36 -0.13 0.98 0.00 0.00 173.24 171.33 1sda s ARG 141 N -5.02 2.98 0.19 4.02 0.52 -1.26 -1.19 118.95 119.19 1sda s ARG 141 Ca 0.65 -1.18 0.13 0.00 -0.52 0.00 0.00 55.73 54.82 1sda s ARG 141 Cb -0.18 -4.06 -0.05 0.00 0.52 0.00 0.00 34.95 31.18 1sda s ARG 141 CO 0.57 -0.90 1.26 -0.07 0.02 0.00 0.00 175.30 176.18 1sda h LEU 142 N 8.73 0.00 -7.00 2.53 3.38 -1.62 -3.47 115.31 117.85 1sda h LEU 142 Ca -0.28 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.80 1sda h LEU 142 Cb 1.11 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.62 1sda h LEU 142 CO 0.81 0.66 0.62 0.00 0.09 0.00 0.00 178.44 180.62 1sda s ALA 143 N -2.88 -1.99 0.21 1.53 0.00 -1.20 -4.18 121.76 113.25 1sda s ALA 143 Ca 0.02 1.69 -0.21 0.00 0.00 0.00 0.00 51.96 53.46 1sda s ALA 143 Cb 0.08 -1.04 0.04 0.00 0.00 0.00 0.00 23.12 22.21 1sda s ALA 143 CO 0.78 -0.27 0.61 0.00 0.00 0.00 0.00 175.76 176.88 1sda s GLY 145 N -2.84 -0.55 0.09 0.00 0.00 -0.91 -1.37 107.32 101.74 1sda s GLY 145 Ca 0.07 1.03 -0.30 0.00 0.00 0.00 0.00 44.72 45.52 1sda s GLY 145 CO -0.04 0.57 1.03 0.14 0.00 0.00 0.00 173.10 174.80 1sda s VAL 146 N -2.44 4.41 -0.38 1.40 1.01 -1.26 -1.22 120.40 121.92 1sda s VAL 146 Ca -0.03 1.89 -0.29 0.00 0.00 0.00 0.00 61.98 63.55 1sda s VAL 146 Cb -0.01 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.18 1sda s VAL 146 CO -0.02 0.24 1.18 -0.63 0.00 0.00 0.00 175.10 175.86 1sda s ILE 147 N 0.39 4.27 0.41 2.22 1.01 0.11 -4.62 121.20 124.98 1sda s ILE 147 Ca 0.51 1.39 0.08 0.00 0.00 0.00 0.00 60.65 62.62 1sda s ILE 147 Cb -0.25 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.78 1sda s ILE 147 CO 0.30 -0.68 0.24 -0.83 0.00 0.00 0.00 174.94 173.97 1sda s GLY 148 N 2.38 2.23 0.37 6.18 0.00 -0.63 0.34 107.32 118.19 1sda s GLY 148 Ca 0.50 -2.01 -0.18 0.00 0.00 0.00 0.00 44.72 43.03 1sda s GLY 148 CO 0.24 -1.83 0.84 -0.42 0.00 0.00 0.00 173.10 171.93 1sda s ILE 149 N -2.54 4.53 0.05 0.90 1.01 -1.26 -1.14 121.20 122.75 1sda s ILE 149 Ca 0.43 1.23 -0.04 0.00 0.00 0.00 0.00 60.65 62.27 1sda s ILE 149 Cb 0.01 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 1sda s ILE 149 CO 0.24 -0.22 0.05 0.00 0.00 0.00 0.00 174.94 175.02 1sda s ALA 150 N -2.04 0.16 0.00 9.38 0.00 -0.19 -4.76 121.76 124.31 1sda s ALA 150 Ca 0.57 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1sda s ALA 150 Cb -0.10 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1sda s ALA 150 CO 0.16 -0.37 0.00 1.17 0.00 0.00 0.00 175.76 176.72