#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9o n THR 2 N 0.00 0.88 -4.06 0.00 5.66 -1.26 -4.64 114.28 110.87 1e9o n THR 2 Ca 0.00 -0.66 -0.13 0.00 -3.05 0.00 0.00 64.05 60.20 1e9o n THR 2 Cb 0.00 -0.37 -0.13 0.00 -1.55 0.00 0.00 70.33 68.28 1e9o n THR 2 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1e9o s LYS 3 N -2.67 0.36 0.15 1.09 1.02 -1.26 -1.49 119.74 116.94 1e9o s LYS 3 Ca -0.08 -0.36 -0.01 0.00 0.02 0.00 0.00 55.97 55.54 1e9o s LYS 3 Cb 0.07 -0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.11 1e9o s LYS 3 CO 0.74 0.05 0.07 0.00 -0.92 0.00 0.00 175.35 175.29 1e9o s ALA 4 N -0.61 0.97 -0.01 5.17 0.00 0.36 -1.71 121.76 125.93 1e9o s ALA 4 Ca -0.04 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.24 1e9o s ALA 4 Cb -0.05 0.96 0.02 0.00 0.00 0.00 0.00 23.12 24.05 1e9o s ALA 4 CO -0.00 -0.50 0.31 0.54 0.00 0.00 0.00 175.76 176.11 1e9o s VAL 5 N -4.04 0.06 -0.03 0.00 0.11 0.49 -1.62 120.40 115.36 1e9o s VAL 5 Ca 0.27 -0.48 0.01 0.00 -2.93 0.00 0.00 61.98 58.85 1e9o s VAL 5 Cb 0.07 -0.63 0.02 0.00 -1.53 0.00 0.00 36.38 34.31 1e9o s VAL 5 CO 0.04 -0.26 -0.04 0.00 -3.33 0.00 0.00 175.10 171.51 1e9o s VAL 7 N 0.79 4.09 -0.18 0.00 1.01 -1.26 -1.30 120.40 123.54 1e9o s VAL 7 Ca -0.10 -0.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.26 1e9o s VAL 7 Cb -0.13 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1e9o s VAL 7 CO -0.00 0.25 0.74 -0.76 0.00 0.00 0.00 175.10 175.34 1e9o s LEU 8 N 1.56 4.17 0.05 3.92 1.43 0.08 -3.97 118.68 125.91 1e9o s LEU 8 Ca 0.05 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.19 1e9o s LEU 8 Cb -0.16 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 1e9o s LEU 8 CO 0.02 -0.34 -0.05 -0.54 0.23 0.00 0.00 176.35 175.68 1e9o s LYS 9 N 2.00 0.56 0.00 1.70 1.02 -0.58 -2.59 119.74 121.85 1e9o s LYS 9 Ca 0.34 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1e9o s LYS 9 Cb -0.16 -0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.14 1e9o s LYS 9 CO 0.12 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 1e9o n GLY 10 N 0.77 4.08 0.37 -3.33 0.00 -1.26 -0.99 105.19 104.83 1e9o n GLY 10 Ca -0.18 -1.01 0.12 0.00 0.00 0.00 0.00 46.02 44.94 1e9o n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1e9o n ASP 11 N 0.00 1.59 0.00 1.61 8.00 -1.26 -4.93 116.55 121.56 1e9o n ASP 11 Ca 0.00 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1e9o n ASP 11 Cb 0.00 0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1e9o n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1e9o n GLY 12 N 1.40 4.47 0.04 0.44 0.00 -1.26 -5.04 105.19 105.24 1e9o n GLY 12 Ca 0.10 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.23 1e9o n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1e9o n PRO 13 N 0.00 0.12 -2.16 1.61 -0.04 -1.26 -4.88 135.00 128.39 1e9o n PRO 13 Ca 0.00 0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 1e9o n PRO 13 Cb 0.00 -1.62 -0.03 0.00 -0.04 0.00 0.00 33.50 31.82 1e9o n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1e9o s VAL 14 N -3.06 3.68 0.12 0.52 1.01 -1.26 -4.49 120.40 116.92 1e9o s VAL 14 Ca 0.11 0.99 -0.01 0.00 0.00 0.00 0.00 61.98 63.08 1e9o s VAL 14 Cb 0.16 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1e9o s VAL 14 CO 0.61 -0.03 0.03 -1.10 0.00 0.00 0.00 175.10 174.61 1e9o s GLN 15 N 2.93 0.87 0.00 2.72 -0.21 -0.94 -4.01 119.66 121.03 1e9o s GLN 15 Ca 0.66 -1.40 0.00 0.00 0.02 0.00 0.00 55.36 54.64 1e9o s GLN 15 Cb -0.32 0.18 0.00 0.00 1.00 0.00 0.00 33.01 33.87 1e9o s GLN 15 CO 0.26 -0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.63 1e9o n GLY 16 N -0.06 0.43 2.80 3.09 0.00 -1.07 -0.01 105.19 110.37 1e9o n GLY 16 Ca -0.08 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 1e9o n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1e9o s THR 17 N -2.00 0.42 -0.11 2.61 2.01 -0.97 -0.74 115.64 116.86 1e9o s THR 17 Ca 0.00 0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.06 1e9o s THR 17 Cb 0.00 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 1e9o s THR 17 CO 0.00 0.25 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.46 1e9o s ILE 18 N 1.74 3.40 0.03 1.82 -1.09 -0.42 -2.81 121.20 123.86 1e9o s ILE 18 Ca 0.02 -0.56 0.05 0.00 -2.23 0.00 0.00 60.65 57.93 1e9o s ILE 18 Cb -0.13 -2.42 -0.03 0.00 -1.58 0.00 0.00 42.46 38.30 1e9o s ILE 18 CO -0.04 0.54 -0.12 -1.00 -1.23 0.00 0.00 174.94 173.09 1e9o s HIS 19 N -0.06 2.73 -0.04 3.97 3.76 0.21 -1.48 115.29 124.39 1e9o s HIS 19 Ca -0.01 -0.14 0.04 0.00 -0.15 0.00 0.00 55.06 54.80 1e9o s HIS 19 Cb -0.14 -1.53 -0.00 0.00 1.11 0.00 0.00 32.58 32.02 1e9o s HIS 19 CO 0.03 0.33 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.03 1e9o s PHE 20 N -0.99 1.59 -0.07 1.40 0.40 -0.64 -0.94 117.98 118.72 1e9o s PHE 20 Ca 0.17 -0.42 -0.03 0.00 -0.60 0.00 0.00 56.93 56.04 1e9o s PHE 20 Cb -0.11 -1.07 0.04 0.00 0.51 0.00 0.00 43.02 42.40 1e9o s PHE 20 CO 0.07 -0.13 0.14 -2.00 0.70 0.00 0.00 175.22 174.00 1e9o s GLU 21 N -0.02 0.05 -0.17 0.44 2.12 -0.75 -0.49 118.70 119.87 1e9o s GLU 21 Ca -0.02 0.46 -0.29 0.00 0.36 0.00 0.00 54.97 55.48 1e9o s GLU 21 Cb -0.10 -0.24 -0.01 0.00 0.26 0.00 0.00 34.13 34.03 1e9o s GLU 21 CO 0.01 -0.24 1.27 0.00 -0.54 0.00 0.00 175.26 175.77 1e9o s ALA 22 N 1.75 3.64 -0.22 6.30 0.00 -0.55 -1.38 121.76 131.30 1e9o s ALA 22 Ca -0.03 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.38 1e9o s ALA 22 Cb -0.12 -3.63 0.06 0.00 0.00 0.00 0.00 23.12 19.42 1e9o s ALA 22 CO -0.06 -1.22 -0.06 0.15 0.00 0.00 0.00 175.76 174.57 1e9o s LYS 23 N 3.56 1.64 7.16 0.00 -0.14 -0.28 -4.98 119.74 126.69 1e9o s LYS 23 Ca 0.55 -0.90 0.00 0.00 -1.36 0.00 0.00 55.97 54.26 1e9o s LYS 23 Cb -0.21 -2.49 0.00 0.00 -1.68 0.00 0.00 37.83 33.45 1e9o s LYS 23 CO 0.15 -0.55 0.00 0.41 -0.76 0.00 0.00 175.35 174.60 1e9o n GLY 24 N 4.71 2.01 1.01 -3.33 0.00 -1.26 -1.91 105.19 106.42 1e9o n GLY 24 Ca -0.12 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.58 1e9o n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1e9o n ASP 25 N 7.19 3.58 -3.59 1.61 8.00 -1.26 -4.99 116.55 127.09 1e9o n ASP 25 Ca 0.00 -2.15 -0.21 0.00 0.71 0.00 0.00 54.79 53.13 1e9o n ASP 25 Cb 0.00 -0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 40.66 1e9o n ASP 25 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1e9o n THR 26 N 0.85 0.00 -4.82 -3.53 5.66 -0.80 -5.06 114.28 106.57 1e9o n THR 26 Ca 0.18 -1.79 -0.27 0.00 -3.05 0.00 0.00 64.05 59.12 1e9o n THR 26 Cb 0.59 0.52 -0.17 0.00 -1.55 0.00 0.00 70.33 69.72 1e9o n THR 26 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1e9o s VAL 27 N -2.56 1.49 -0.21 1.08 1.01 -1.23 -1.13 120.40 118.85 1e9o s VAL 27 Ca 0.09 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 1e9o s VAL 27 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1e9o s VAL 27 CO 0.06 0.43 0.11 -0.69 0.00 0.00 0.00 175.10 175.01 1e9o s VAL 28 N 0.55 5.00 -0.19 2.92 1.01 -0.48 -1.76 120.40 127.45 1e9o s VAL 28 Ca -0.16 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1e9o s VAL 28 Cb -0.17 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1e9o s VAL 28 CO 0.06 0.40 -0.05 -0.69 0.00 0.00 0.00 175.10 174.82 1e9o s VAL 29 N 0.77 3.54 0.21 2.92 1.01 0.15 -1.81 120.40 127.20 1e9o s VAL 29 Ca 0.06 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1e9o s VAL 29 Cb -0.13 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1e9o s VAL 29 CO 0.02 0.45 0.05 0.42 0.00 0.00 0.00 175.10 176.05 1e9o s THR 30 N 0.99 0.57 -5.00 3.92 -4.23 -0.12 -0.72 115.64 111.05 1e9o s THR 30 Ca 0.00 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1e9o s THR 30 Cb -0.15 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1e9o s THR 30 CO 0.01 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 1e9o n GLY 31 N -0.34 0.75 3.29 3.99 0.00 -0.98 0.68 105.19 112.57 1e9o n GLY 31 Ca -0.03 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 1e9o n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1e9o s SER 32 N -4.00 -0.19 -0.06 1.61 1.04 -1.12 -0.52 113.70 110.46 1e9o s SER 32 Ca 0.00 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.24 1e9o s SER 32 Cb 0.00 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.55 1e9o s SER 32 CO 0.00 -0.71 -0.05 -0.63 0.98 0.00 0.00 173.24 172.83 1e9o s ILE 33 N -2.99 0.62 0.40 -1.02 1.01 -0.33 -2.29 121.20 116.61 1e9o s ILE 33 Ca -0.02 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.56 1e9o s ILE 33 Cb 0.00 -0.65 -0.06 0.00 0.01 0.00 0.00 42.46 41.76 1e9o s ILE 33 CO -0.06 0.26 0.11 0.42 0.00 0.00 0.00 174.94 175.66 1e9o s THR 34 N 1.11 2.27 -0.01 2.92 -4.23 0.99 -0.90 115.64 117.79 1e9o s THR 34 Ca -0.08 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1e9o s THR 34 Cb -0.14 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.73 1e9o s THR 34 CO -0.01 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1e9o n GLY 35 N -1.12 0.48 3.93 3.99 0.00 -0.95 -2.21 105.19 109.30 1e9o n GLY 35 Ca -0.03 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1e9o n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1e9o s LEU 36 N -0.02 3.34 0.30 0.99 1.43 -0.78 -4.22 118.68 119.72 1e9o s LEU 36 Ca 0.00 0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 53.46 1e9o s LEU 36 Cb 0.00 -3.45 -0.09 0.00 0.03 0.00 0.00 46.19 42.67 1e9o s LEU 36 CO 0.00 -0.97 0.90 0.42 0.23 0.00 0.00 176.35 176.93 1e9o s THR 37 N -2.88 4.28 0.53 5.49 -4.23 -1.26 -3.98 115.64 113.59 1e9o s THR 37 Ca 0.52 1.72 -0.20 0.00 -1.18 0.00 0.00 61.69 62.56 1e9o s THR 37 Cb -0.10 -3.99 -0.09 0.00 1.34 0.00 0.00 72.50 69.66 1e9o s THR 37 CO 0.43 0.17 0.72 1.21 -0.54 0.00 0.00 174.62 176.61 1e9o n GLU 38 N 0.63 0.77 0.00 3.99 2.13 -1.25 -4.65 120.64 122.25 1e9o n GLU 38 Ca 0.01 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.12 1e9o n GLU 38 Cb 0.50 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.37 1e9o n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1e9o n GLY 39 N 1.56 -0.91 3.83 8.31 0.00 -0.89 -4.89 105.19 112.19 1e9o n GLY 39 Ca 0.12 -2.23 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 1e9o n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e9o s ASP 40 N -1.61 6.94 -0.02 1.61 1.11 -1.26 -0.39 116.67 123.07 1e9o s ASP 40 Ca 0.00 1.38 0.00 0.00 0.18 0.00 0.00 52.55 54.12 1e9o s ASP 40 Cb 0.00 -2.41 0.02 0.00 1.07 0.00 0.00 42.92 41.60 1e9o s ASP 40 CO 0.00 -0.08 0.01 -1.00 1.18 0.00 0.00 175.17 175.28 1e9o s HIS 41 N -1.74 0.11 0.60 4.23 3.76 -0.14 -2.94 115.29 119.17 1e9o s HIS 41 Ca 0.48 0.05 -0.19 0.00 -0.15 0.00 0.00 55.06 55.25 1e9o s HIS 41 Cb -0.14 -0.21 -0.03 0.00 1.11 0.00 0.00 32.58 33.31 1e9o s HIS 41 CO 0.19 -0.07 1.28 0.20 -0.85 0.00 0.00 174.74 175.49 1e9o s GLY 42 N 0.67 2.83 -0.27 -2.22 0.00 -0.41 -1.13 107.32 106.80 1e9o s GLY 42 Ca -0.06 1.17 -0.02 0.00 0.00 0.00 0.00 44.72 45.81 1e9o s GLY 42 CO -0.02 1.61 0.22 -0.12 0.00 0.00 0.00 173.10 174.80 1e9o s PHE 43 N -1.43 -0.16 0.14 1.90 5.36 -0.03 -0.71 117.98 123.03 1e9o s PHE 43 Ca 0.78 -0.32 0.04 0.00 -0.96 0.00 0.00 56.93 56.47 1e9o s PHE 43 Cb -0.36 -0.59 -0.04 0.00 -0.34 0.00 0.00 43.02 41.69 1e9o s PHE 43 CO 0.39 -0.82 -0.10 -1.01 -1.46 0.00 0.00 175.22 172.22 1e9o s HIS 44 N 2.27 1.23 -0.28 10.12 3.76 -0.75 -2.63 115.29 129.00 1e9o s HIS 44 Ca 0.08 -0.74 -0.16 0.00 -0.15 0.00 0.00 55.06 54.10 1e9o s HIS 44 Cb -0.15 -0.63 -0.03 0.00 1.11 0.00 0.00 32.58 32.88 1e9o s HIS 44 CO -0.29 0.07 0.43 0.08 -0.85 0.00 0.00 174.74 174.17 1e9o s VAL 45 N -3.12 5.13 0.15 -0.90 1.01 -0.11 -1.10 120.40 121.46 1e9o s VAL 45 Ca 0.14 0.59 -0.02 0.00 0.00 0.00 0.00 61.98 62.69 1e9o s VAL 45 Cb 0.01 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1e9o s VAL 45 CO 0.00 0.08 0.34 -1.00 0.00 0.00 0.00 175.10 174.53 1e9o s HIS 46 N 2.17 3.49 0.17 5.22 3.76 0.12 -0.88 115.29 129.34 1e9o s HIS 46 Ca 0.17 0.39 -0.14 0.00 -0.15 0.00 0.00 55.06 55.32 1e9o s HIS 46 Cb -0.16 -1.88 0.06 0.00 1.11 0.00 0.00 32.58 31.72 1e9o s HIS 46 CO 0.10 0.45 1.84 0.37 -0.85 0.00 0.00 174.74 176.65 1e9o h GLN 47 N 2.51 0.69 -5.87 1.40 4.15 -0.71 -2.72 115.11 114.56 1e9o h GLN 47 Ca -0.47 -0.04 -0.65 0.00 0.77 0.00 0.00 58.65 58.26 1e9o h GLN 47 Cb 1.18 -0.15 -0.08 0.00 0.21 0.00 0.00 27.48 28.63 1e9o h GLN 47 CO 0.71 0.45 -0.53 -0.06 -1.93 0.00 0.00 178.83 177.47 1e9o s PHE 48 N -6.15 3.42 -0.47 3.99 0.08 -0.42 -4.68 117.98 113.74 1e9o s PHE 48 Ca -0.13 0.32 -0.03 0.00 0.12 0.00 0.00 56.93 57.21 1e9o s PHE 48 Cb 0.12 -1.81 0.16 0.00 -0.57 0.00 0.00 43.02 40.92 1e9o s PHE 48 CO 0.74 0.61 2.45 0.41 -0.10 0.00 0.00 175.22 179.34 1e9o n GLY 49 N 1.34 4.52 3.31 4.36 0.00 -1.02 -3.64 105.19 114.06 1e9o n GLY 49 Ca -0.14 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 1e9o n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1e9o s ASP 50 N 0.00 5.16 -0.28 1.61 -1.08 -1.26 -4.95 116.67 115.86 1e9o s ASP 50 Ca 0.52 -0.89 0.09 0.00 -0.52 0.00 0.00 52.55 51.74 1e9o s ASP 50 Cb 0.36 -1.86 0.50 0.00 -1.46 0.00 0.00 42.92 40.46 1e9o s ASP 50 CO -0.17 -0.24 1.44 0.59 0.52 0.00 0.00 175.17 177.31 1e9o n ASN 51 N 4.83 2.40 0.22 -0.34 4.13 -1.26 -3.02 115.26 122.22 1e9o n ASN 51 Ca -0.14 -3.79 0.09 0.00 1.68 0.00 0.00 54.58 52.42 1e9o n ASN 51 Cb 0.47 -0.63 0.50 0.00 -1.54 0.00 0.00 39.78 38.58 1e9o n ASN 51 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1e9o h THR 52 N 1.01 0.74 -1.43 3.41 1.35 -1.92 -2.79 112.91 113.27 1e9o h THR 52 Ca 0.20 -1.06 -0.58 0.00 -0.55 0.00 0.00 66.41 64.42 1e9o h THR 52 Cb 1.60 1.66 -0.42 0.00 -1.73 0.00 0.00 68.15 69.26 1e9o h THR 52 CO 0.35 0.25 -0.76 0.00 -0.25 0.00 0.00 175.52 175.11 1e9o n GLN 53 N -3.60 3.36 0.00 4.72 6.02 -1.26 -5.05 117.38 121.57 1e9o n GLN 53 Ca -0.01 -4.43 0.00 0.00 -0.01 0.00 0.00 57.00 52.55 1e9o n GLN 53 Cb 0.39 -2.21 0.00 0.00 1.02 0.00 0.00 30.24 29.43 1e9o n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1e9o n GLY 54 N -0.49 2.16 0.11 1.08 0.00 -1.06 -2.22 105.19 104.78 1e9o n GLY 54 Ca 0.38 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 46.04 1e9o n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9o h THR 56 N 0.00 1.24 0.00 0.00 2.02 -1.78 -2.63 112.91 111.76 1e9o h THR 56 Ca 0.00 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1e9o h THR 56 Cb 0.61 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1e9o h THR 56 CO 0.00 0.33 0.00 -1.54 0.37 0.00 0.00 175.52 174.68 1e9o n SER 57 N -4.27 0.00 0.06 4.18 3.41 -1.23 -2.87 113.62 112.91 1e9o n SER 57 Ca 0.05 -0.68 0.11 0.00 -0.26 0.00 0.00 58.87 58.09 1e9o n SER 57 Cb 0.22 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.62 1e9o n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1e9o n ALA 58 N -0.98 1.93 -0.08 7.33 0.00 -0.99 -4.41 120.51 123.31 1e9o n ALA 58 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1e9o n ALA 58 Cb 0.07 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1e9o n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1e9o n GLY 59 N 0.59 -1.57 0.99 0.00 0.00 -1.14 -1.30 105.19 102.76 1e9o n GLY 59 Ca 0.04 -1.32 -0.07 0.00 0.00 0.00 0.00 46.02 44.68 1e9o n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1e9o n PRO 60 N -0.06 -0.05 -2.21 1.61 -0.04 -1.26 -4.62 135.00 128.37 1e9o n PRO 60 Ca 0.00 -0.59 -0.38 0.00 -0.04 0.00 0.00 63.50 62.49 1e9o n PRO 60 Cb 0.00 -0.29 -0.01 0.00 -0.04 0.00 0.00 33.50 33.16 1e9o n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1e9o s HIS 61 N -1.33 2.95 0.07 0.54 3.76 -1.26 -0.56 115.29 119.45 1e9o s HIS 61 Ca 0.18 1.51 -0.30 0.00 -0.15 0.00 0.00 55.06 56.30 1e9o s HIS 61 Cb -0.01 -3.47 -0.09 0.00 1.11 0.00 0.00 32.58 30.12 1e9o s HIS 61 CO 0.13 -1.59 1.85 0.12 -0.85 0.00 0.00 174.74 174.40 1e9o s PHE 62 N -1.39 1.80 -0.43 1.40 5.36 -0.06 -4.50 117.98 120.16 1e9o s PHE 62 Ca 0.59 -0.15 0.08 0.00 -0.96 0.00 0.00 56.93 56.48 1e9o s PHE 62 Cb -0.32 -4.16 0.29 0.00 -0.34 0.00 0.00 43.02 38.48 1e9o s PHE 62 CO 0.41 -4.97 0.83 -1.71 -1.46 0.00 0.00 175.22 168.32 1e9o n ASN 63 N 6.56 -1.28 0.26 6.13 5.15 -1.26 -1.77 115.26 129.05 1e9o n ASN 63 Ca 0.18 -3.21 0.17 0.00 -0.60 0.00 0.00 54.58 51.13 1e9o n ASN 63 Cb 0.40 0.78 0.81 0.00 -0.53 0.00 0.00 39.78 41.24 1e9o n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1e9o h PRO 64 N 3.54 0.00 -0.69 1.20 0.13 -1.95 -2.46 132.00 131.77 1e9o h PRO 64 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1e9o h PRO 64 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1e9o h PRO 64 CO 0.34 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.39 1e9o n LEU 65 N -2.85 3.98 -3.96 1.56 4.77 -1.26 -4.99 117.00 114.25 1e9o n LEU 65 Ca -0.00 -2.00 -0.31 0.00 -0.03 0.00 0.00 56.01 53.67 1e9o n LEU 65 Cb 0.19 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 1e9o n LEU 65 CO 0.22 0.89 -0.22 -1.20 -1.33 0.00 0.00 177.39 175.75 1e9o n SER 66 N 1.42 -1.95 -4.93 -1.43 7.64 -0.93 -5.01 113.62 108.44 1e9o n SER 66 Ca 0.24 -1.10 -0.26 0.00 1.01 0.00 0.00 58.87 58.76 1e9o n SER 66 Cb 0.67 -2.69 0.01 0.00 -1.01 0.00 0.00 64.21 61.18 1e9o n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1e9o s LYS 67 N -6.68 2.24 0.54 1.43 1.02 -1.26 -5.13 119.74 111.90 1e9o s LYS 67 Ca 0.20 -2.01 -0.04 0.00 0.02 0.00 0.00 55.97 54.14 1e9o s LYS 67 Cb -0.09 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 1e9o s LYS 67 CO 0.91 -0.70 0.82 0.15 -0.92 0.00 0.00 175.35 175.61 1e9o s LYS 68 N -4.36 2.97 0.44 1.68 1.02 -1.26 -4.79 119.74 115.43 1e9o s LYS 68 Ca 0.37 -0.18 -0.24 0.00 0.02 0.00 0.00 55.97 55.94 1e9o s LYS 68 Cb -0.03 -2.37 -0.08 0.00 -0.52 0.00 0.00 37.83 34.83 1e9o s LYS 68 CO 0.23 -0.55 1.19 -1.58 -0.92 0.00 0.00 175.35 173.72 1e9o s HIS 69 N -2.84 2.89 0.00 3.18 5.65 -0.39 -3.31 115.29 120.47 1e9o s HIS 69 Ca 0.52 1.52 0.00 0.00 0.25 0.00 0.00 55.06 57.35 1e9o s HIS 69 Cb -0.10 -3.44 0.00 0.00 -1.18 0.00 0.00 32.58 27.85 1e9o s HIS 69 CO 0.43 -1.61 0.00 0.41 -0.65 0.00 0.00 174.74 173.32 1e9o n GLY 70 N 0.54 2.85 3.95 1.59 0.00 -1.25 -4.16 105.19 108.71 1e9o n GLY 70 Ca 0.06 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 1e9o n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1e9o s GLY 71 N -0.71 1.36 0.64 -0.02 0.00 -1.22 -4.56 107.32 102.81 1e9o s GLY 71 Ca 0.00 -0.96 0.36 0.00 0.00 0.00 0.00 44.72 44.12 1e9o s GLY 71 CO 0.00 -0.89 2.20 -0.56 0.00 0.00 0.00 173.10 173.85 1e9o h PRO 72 N 0.74 0.00 -0.06 2.90 0.13 -1.88 -1.52 132.00 132.32 1e9o h PRO 72 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1e9o h PRO 72 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1e9o h PRO 72 CO 0.61 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.01 1e9o n LYS 73 N -3.34 1.81 -3.07 0.86 5.02 -1.26 -4.94 118.16 113.23 1e9o n LYS 73 Ca -0.02 -1.19 -0.29 0.00 -2.02 0.00 0.00 58.31 54.80 1e9o n LYS 73 Cb 0.20 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 1e9o n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1e9o s ASP 74 N -1.91 6.45 0.03 4.39 1.01 -0.57 -4.99 116.67 121.07 1e9o s ASP 74 Ca 0.36 0.89 -0.19 0.00 0.71 0.00 0.00 52.55 54.32 1e9o s ASP 74 Cb 0.20 -2.22 -0.19 0.00 1.01 0.00 0.00 42.92 41.72 1e9o s ASP 74 CO 0.32 -0.32 1.20 -0.78 0.21 0.00 0.00 175.17 175.79 1e9o h ASP 75 N 1.32 0.55 -2.52 0.27 1.82 -1.92 -3.38 116.42 112.55 1e9o h ASP 75 Ca -0.47 -0.66 -0.63 0.00 -0.39 0.00 0.00 57.03 54.87 1e9o h ASP 75 Cb 1.19 -0.16 -0.14 0.00 0.68 0.00 0.00 39.33 40.90 1e9o h ASP 75 CO 0.64 1.12 0.67 -0.70 -1.61 0.00 0.00 179.24 179.37 1e9o s GLU 76 N -3.60 3.21 0.25 0.28 2.56 -1.26 -4.95 118.70 115.19 1e9o s GLU 76 Ca -0.13 -0.92 -0.20 0.00 0.00 0.00 0.00 54.97 53.71 1e9o s GLU 76 Cb 0.05 -4.37 0.03 0.00 2.00 0.00 0.00 34.13 31.83 1e9o s GLU 76 CO 0.81 -1.86 0.66 -0.98 -0.56 0.00 0.00 175.26 173.33 1e9o s ARG 77 N 4.06 1.65 0.50 4.30 1.70 -1.21 -3.77 118.95 126.18 1e9o s ARG 77 Ca 0.26 -0.93 -0.17 0.00 -0.47 0.00 0.00 55.73 54.42 1e9o s ARG 77 Cb -0.14 0.58 -0.08 0.00 -0.57 0.00 0.00 34.95 34.74 1e9o s ARG 77 CO 0.07 -0.74 0.97 -1.01 -1.08 0.00 0.00 175.30 173.51 1e9o s HIS 78 N -3.90 3.43 0.28 5.89 3.76 -1.22 -4.71 115.29 118.83 1e9o s HIS 78 Ca 0.11 1.47 -0.02 0.00 -0.15 0.00 0.00 55.06 56.47 1e9o s HIS 78 Cb -0.04 -2.79 0.44 0.00 1.11 0.00 0.00 32.58 31.30 1e9o s HIS 78 CO 0.03 -0.32 1.90 0.28 -0.85 0.00 0.00 174.74 175.79 1e9o h VAL 79 N 1.08 1.10 0.00 -0.90 2.07 -1.88 -1.45 116.25 116.27 1e9o h VAL 79 Ca -0.47 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1e9o h VAL 79 Cb 1.18 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1e9o h VAL 79 CO 0.61 0.21 0.00 0.61 0.02 0.00 0.00 177.57 179.02 1e9o n GLY 80 N -1.38 -0.73 3.56 2.17 0.00 -0.73 -4.56 105.19 103.52 1e9o n GLY 80 Ca 0.14 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1e9o n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e9o s ASP 81 N -1.85 6.26 -0.20 1.61 1.01 -0.55 -0.94 116.67 122.01 1e9o s ASP 81 Ca 0.28 -1.20 0.15 0.00 0.71 0.00 0.00 52.55 52.49 1e9o s ASP 81 Cb 0.13 -2.57 0.80 0.00 1.01 0.00 0.00 42.92 42.29 1e9o s ASP 81 CO 0.21 -1.72 1.72 0.18 0.21 0.00 0.00 175.17 175.77 1e9o n LEU 82 N 9.68 5.51 0.00 1.23 4.77 -1.08 -3.62 117.00 133.48 1e9o n LEU 82 Ca 0.30 -2.79 0.00 0.00 -0.03 0.00 0.00 56.01 53.49 1e9o n LEU 82 Cb 0.50 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1e9o n LEU 82 CO 0.66 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 1e9o n GLY 83 N 0.77 1.19 3.25 -0.72 0.00 -1.23 -4.80 105.19 103.66 1e9o n GLY 83 Ca 0.27 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 1e9o n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1e9o s ASN 84 N -4.00 2.21 0.02 1.61 0.01 -1.26 -0.85 114.94 112.68 1e9o s ASN 84 Ca 0.00 -0.69 0.01 0.00 -0.71 0.00 0.00 52.86 51.47 1e9o s ASN 84 Cb 0.00 -0.10 -0.04 0.00 0.41 0.00 0.00 41.25 41.52 1e9o s ASN 84 CO 0.00 -0.01 0.05 0.68 -1.51 0.00 0.00 177.10 176.31 1e9o s VAL 85 N -1.35 4.45 -0.18 1.60 -7.23 -0.29 -4.89 120.40 112.52 1e9o s VAL 85 Ca 0.04 -0.57 -0.01 0.00 -1.81 0.00 0.00 61.98 59.64 1e9o s VAL 85 Cb -0.09 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 33.81 1e9o s VAL 85 CO 0.04 0.31 -0.14 -0.89 -0.31 0.00 0.00 175.10 174.11 1e9o s THR 86 N -1.20 2.69 0.14 5.32 2.01 -1.26 -0.97 115.64 122.38 1e9o s THR 86 Ca 0.23 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.37 1e9o s THR 86 Cb -0.12 -2.16 -0.07 0.00 0.01 0.00 0.00 72.50 70.16 1e9o s THR 86 CO 0.14 0.50 0.49 0.00 -0.69 0.00 0.00 174.62 175.06 1e9o s ALA 87 N 1.14 3.63 0.89 7.40 0.00 0.48 -4.38 121.76 130.92 1e9o s ALA 87 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1e9o s ALA 87 Cb -0.14 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1e9o s ALA 87 CO -0.05 0.51 0.00 -0.40 0.00 0.00 0.00 175.76 175.82 1e9o n ASP 88 N 0.62 0.00 0.19 0.00 5.68 0.61 -2.10 116.55 121.55 1e9o n ASP 88 Ca -0.05 -0.34 0.14 0.00 -0.50 0.00 0.00 54.79 54.04 1e9o n ASP 88 Cb 0.52 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.93 1e9o n ASP 88 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1e9o h LYS 89 N 0.00 0.00 -0.22 0.11 5.09 -1.97 -2.56 116.57 117.03 1e9o h LYS 89 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1e9o h LYS 89 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1e9o h LYS 89 CO 0.00 0.00 0.00 0.09 -2.09 0.00 0.00 179.45 177.45 1e9o n ASN 90 N -2.74 2.19 0.00 7.07 3.02 -1.26 -4.86 115.26 118.68 1e9o n ASN 90 Ca 0.03 -1.80 0.00 0.00 -0.03 0.00 0.00 54.58 52.78 1e9o n ASN 90 Cb 0.39 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1e9o n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1e9o n GLY 91 N 1.24 0.52 3.61 7.41 0.00 -0.96 -4.66 105.19 112.34 1e9o n GLY 91 Ca 0.17 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1e9o n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1e9o s VAL 92 N -2.00 4.53 -0.13 1.61 1.01 -1.26 -1.86 120.40 122.30 1e9o s VAL 92 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.88 1e9o s VAL 92 Cb 0.00 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.38 1e9o s VAL 92 CO 0.00 0.49 -0.22 0.00 0.00 0.00 0.00 175.10 175.37 1e9o s ALA 93 N 0.18 2.20 -0.21 5.51 0.00 -0.07 -0.28 121.76 129.08 1e9o s ALA 93 Ca 0.03 -1.05 -0.16 0.00 0.00 0.00 0.00 51.96 50.78 1e9o s ALA 93 Cb -0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1e9o s ALA 93 CO 0.01 0.03 0.40 0.42 0.00 0.00 0.00 175.76 176.62 1e9o s ILE 94 N 0.73 5.19 -0.20 0.00 -1.09 -1.26 -1.19 121.20 123.37 1e9o s ILE 94 Ca -0.09 0.70 -0.12 0.00 -2.23 0.00 0.00 60.65 58.91 1e9o s ILE 94 Cb -0.16 -3.73 -0.05 0.00 -1.58 0.00 0.00 42.46 36.94 1e9o s ILE 94 CO 0.00 0.24 0.20 -0.69 -1.23 0.00 0.00 174.94 173.46 1e9o s VAL 95 N 1.42 5.35 -0.35 2.92 1.01 0.33 -4.77 120.40 126.30 1e9o s VAL 95 Ca 0.19 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.52 1e9o s VAL 95 Cb -0.15 -3.54 0.16 0.00 0.00 0.00 0.00 36.38 32.85 1e9o s VAL 95 CO 0.08 0.39 0.43 -0.62 0.00 0.00 0.00 175.10 175.38 1e9o s ASP 96 N 0.63 0.44 0.02 3.32 2.15 -1.24 -2.33 116.67 119.66 1e9o s ASP 96 Ca 0.11 -1.07 0.03 0.00 0.43 0.00 0.00 52.55 52.05 1e9o s ASP 96 Cb -0.12 0.99 -0.02 0.00 -0.30 0.00 0.00 42.92 43.47 1e9o s ASP 96 CO 0.02 -0.27 -0.10 -0.63 -0.17 0.00 0.00 175.17 174.02 1e9o s ILE 97 N 1.85 0.76 -0.12 4.11 1.01 0.10 -5.00 121.20 123.91 1e9o s ILE 97 Ca 0.14 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 60.09 1e9o s ILE 97 Cb -0.12 -0.70 0.01 0.00 0.01 0.00 0.00 42.46 41.65 1e9o s ILE 97 CO -0.13 -0.02 -0.20 -0.69 0.00 0.00 0.00 174.94 173.91 1e9o s VAL 98 N -0.69 1.88 -0.02 2.92 1.01 -1.26 0.31 120.40 124.55 1e9o s VAL 98 Ca -0.01 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1e9o s VAL 98 Cb -0.06 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1e9o s VAL 98 CO 0.00 0.52 -0.13 -0.62 0.00 0.00 0.00 175.10 174.87 1e9o s ASP 99 N 0.78 1.59 -0.09 3.32 2.15 -0.72 -5.00 116.67 118.70 1e9o s ASP 99 Ca -0.09 -0.25 -0.07 0.00 0.43 0.00 0.00 52.55 52.57 1e9o s ASP 99 Cb -0.16 -0.25 -0.28 0.00 -0.30 0.00 0.00 42.92 41.93 1e9o s ASP 99 CO 0.00 0.15 0.50 1.55 -0.17 0.00 0.00 175.17 177.20 1e9o h PRO 100 N 5.96 0.29 0.00 4.34 0.13 -1.93 -3.27 132.00 137.53 1e9o h PRO 100 Ca -0.34 -0.50 -0.13 0.00 -0.87 0.00 0.00 66.00 64.16 1e9o h PRO 100 Cb 1.17 0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 1e9o h PRO 100 CO 0.49 1.21 -0.61 -0.07 -0.23 0.00 0.00 178.00 178.79 1e9o h LEU 101 N 0.08 0.00-10.34 1.56 -0.00 -1.96 -3.48 115.31 101.17 1e9o h LEU 101 Ca -0.39 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 56.98 1e9o h LEU 101 Cb 2.06 0.00 0.08 0.00 -0.00 0.00 0.00 40.66 42.80 1e9o h LEU 101 CO 0.12 0.61 0.39 0.27 -0.00 0.00 0.00 178.44 179.83 1e9o s ILE 102 N -3.00 4.27 0.25 1.22 -4.36 -1.26 -4.86 121.20 113.46 1e9o s ILE 102 Ca 0.03 0.75 0.01 0.00 -0.26 0.00 0.00 60.65 61.18 1e9o s ILE 102 Cb 0.09 -3.57 -0.03 0.00 1.25 0.00 0.00 42.46 40.19 1e9o s ILE 102 CO 0.76 -0.95 0.20 -0.55 0.24 0.00 0.00 174.94 174.64 1e9o s SER 103 N -3.89 0.66 0.00 4.36 0.15 -0.91 -4.70 113.70 109.37 1e9o s SER 103 Ca 0.57 -1.50 0.09 0.00 0.70 0.00 0.00 55.95 55.82 1e9o s SER 103 Cb -0.13 0.45 0.25 0.00 -1.71 0.00 0.00 66.02 64.89 1e9o s SER 103 CO 0.54 -0.94 1.19 0.18 1.20 0.00 0.00 173.24 175.41 1e9o n LEU 104 N -0.40 2.73 -3.53 3.45 4.77 -1.26 -1.57 117.00 121.19 1e9o n LEU 104 Ca 0.04 -1.94 -0.16 0.00 -0.03 0.00 0.00 56.01 53.92 1e9o n LEU 104 Cb 0.64 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 1e9o n LEU 104 CO 0.32 0.68 0.52 -0.94 -1.33 0.00 0.00 177.39 176.64 1e9o s SER 105 N -0.99 -0.59 0.00 -1.43 1.04 -1.26 -4.15 113.70 106.32 1e9o s SER 105 Ca 0.19 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1e9o s SER 105 Cb 0.10 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1e9o s SER 105 CO 0.13 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1e9o n GLY 106 N 0.84 -1.76 0.36 7.32 0.00 -1.26 -4.04 105.19 106.65 1e9o n GLY 106 Ca -0.17 -1.60 0.10 0.00 0.00 0.00 0.00 46.02 44.36 1e9o n GLY 106 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1e9o h GLU 107 N 0.00 0.84 -0.54 1.61 4.81 -2.01 -1.24 114.58 118.05 1e9o h GLU 107 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1e9o h GLU 107 Cb 0.00 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.19 1e9o h GLU 107 CO 0.00 0.55 0.00 0.66 -0.73 0.00 0.00 179.01 179.49 1e9o n TYR 108 N -4.71 0.77 -1.79 0.92 4.01 -1.26 -4.98 117.16 110.13 1e9o n TYR 108 Ca 0.21 -0.36 -0.42 0.00 -0.16 0.00 0.00 57.90 57.17 1e9o n TYR 108 Cb 0.48 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.44 1e9o n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1e9o s SER 109 N -0.95 6.42 0.00 7.72 0.15 -0.47 -2.15 113.70 124.42 1e9o s SER 109 Ca 0.35 2.84 0.22 0.00 0.70 0.00 0.00 55.95 60.06 1e9o s SER 109 Cb 0.19 -2.61 0.45 0.00 -1.71 0.00 0.00 66.02 62.34 1e9o s SER 109 CO 0.22 -0.92 1.40 2.30 1.20 0.00 0.00 173.24 177.44 1e9o n ILE 110 N 3.45 0.59 -1.94 6.45 -5.35 -0.61 -4.90 119.36 117.05 1e9o n ILE 110 Ca 0.13 -0.79 -0.42 0.00 -0.27 0.00 0.00 62.75 61.40 1e9o n ILE 110 Cb 0.36 0.90 -0.03 0.00 -1.74 0.00 0.00 39.64 39.14 1e9o n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1e9o s ILE 111 N -1.38 2.62 0.00 7.28 -1.09 -1.26 -1.85 121.20 125.52 1e9o s ILE 111 Ca 0.39 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 59.27 1e9o s ILE 111 Cb 0.22 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1e9o s ILE 111 CO 0.31 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.67 1e9o n GLY 112 N 3.53 0.78 2.07 6.18 0.00 0.40 -4.99 105.19 113.16 1e9o n GLY 112 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 1e9o n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e9o n ARG 113 N -2.18 0.86 -5.10 1.61 1.74 -0.77 -2.44 116.66 110.37 1e9o n ARG 113 Ca 0.00 -1.71 -0.32 0.00 -0.77 0.00 0.00 57.85 55.05 1e9o n ARG 113 Cb 0.00 -0.04 -0.16 0.00 -1.02 0.00 0.00 32.46 31.24 1e9o n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1e9o s THR 114 N -1.07 2.36 -0.12 0.55 2.01 -1.03 -0.88 115.64 117.48 1e9o s THR 114 Ca 0.28 -0.93 -0.18 0.00 0.31 0.00 0.00 61.69 61.18 1e9o s THR 114 Cb -0.02 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1e9o s THR 114 CO 0.18 0.56 0.46 -0.32 -0.69 0.00 0.00 174.62 174.80 1e9o s MET 115 N 0.14 4.32 -0.00 4.92 1.75 -0.82 0.11 119.30 129.72 1e9o s MET 115 Ca -0.11 0.41 0.06 0.00 -1.25 0.00 0.00 55.69 54.81 1e9o s MET 115 Cb -0.16 -3.43 -0.02 0.00 2.84 0.00 0.00 34.83 34.07 1e9o s MET 115 CO 0.06 0.19 -0.19 0.08 -0.65 0.00 0.00 175.02 174.51 1e9o s VAL 116 N 0.54 1.50 -0.14 10.11 1.01 -0.25 -2.51 120.40 130.66 1e9o s VAL 116 Ca 0.25 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1e9o s VAL 116 Cb -0.15 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1e9o s VAL 116 CO 0.10 0.36 -0.16 0.54 0.00 0.00 0.00 175.10 175.94 1e9o s VAL 117 N -0.53 2.68 0.34 2.92 0.11 -0.87 -1.80 120.40 123.25 1e9o s VAL 117 Ca 0.07 -0.78 0.05 0.00 -2.93 0.00 0.00 61.98 58.40 1e9o s VAL 117 Cb -0.08 -2.12 -0.01 0.00 -1.53 0.00 0.00 36.38 32.65 1e9o s VAL 117 CO -0.00 0.52 0.48 -1.00 -3.33 0.00 0.00 175.10 171.77 1e9o s HIS 118 N 0.62 3.18 0.19 1.54 3.76 0.11 -1.30 115.29 123.38 1e9o s HIS 118 Ca -0.09 -0.12 -0.08 0.00 -0.15 0.00 0.00 55.06 54.61 1e9o s HIS 118 Cb -0.16 -1.97 0.09 0.00 1.11 0.00 0.00 32.58 31.64 1e9o s HIS 118 CO 0.03 0.01 1.64 1.49 -0.85 0.00 0.00 174.74 177.06 1e9o h GLU 119 N 0.86 1.04 -5.57 1.40 4.81 -0.82 -3.37 114.58 112.94 1e9o h GLU 119 Ca -0.47 -0.35 -0.64 0.00 -0.13 0.00 0.00 59.36 57.78 1e9o h GLU 119 Cb 1.25 -0.09 -0.12 0.00 0.63 0.00 0.00 28.75 30.42 1e9o h GLU 119 CO 0.55 1.04 -0.57 0.15 -0.73 0.00 0.00 179.01 179.45 1e9o s LYS 120 N -4.96 2.05 0.55 1.92 1.02 -0.58 -4.90 119.74 114.84 1e9o s LYS 120 Ca -0.11 -2.16 -0.21 0.00 0.02 0.00 0.00 55.97 53.50 1e9o s LYS 120 Cb 0.14 -1.65 -0.05 0.00 -0.52 0.00 0.00 37.83 35.75 1e9o s LYS 120 CO 0.86 -0.14 1.32 -2.14 -0.92 0.00 0.00 175.35 174.33 1e9o s PRO 121 N -3.78 3.14 -0.07 -1.68 0.02 -1.15 -1.28 135.00 130.20 1e9o s PRO 121 Ca 0.28 2.15 -0.21 0.00 0.02 0.00 0.00 61.00 63.24 1e9o s PRO 121 Cb 0.07 -2.22 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 1e9o s PRO 121 CO 0.15 -1.16 0.61 0.34 -0.33 0.00 0.00 177.00 176.61 1e9o s ASP 122 N -1.07 6.89 0.00 2.53 -1.08 -1.26 -4.16 116.67 118.52 1e9o s ASP 122 Ca 0.72 1.06 0.13 0.00 -0.52 0.00 0.00 52.55 53.94 1e9o s ASP 122 Cb -0.38 -2.36 0.52 0.00 -1.46 0.00 0.00 42.92 39.24 1e9o s ASP 122 CO 0.45 -0.04 1.38 -0.90 0.52 0.00 0.00 175.17 176.58 1e9o n ASP 123 N 3.56 1.19 -2.29 -0.34 5.68 0.36 -4.91 116.55 119.80 1e9o n ASP 123 Ca -0.04 -1.82 -0.18 0.00 -0.50 0.00 0.00 54.79 52.25 1e9o n ASP 123 Cb 0.51 -0.12 0.01 0.00 -1.14 0.00 0.00 41.12 40.39 1e9o n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1e9o n LEU 124 N 0.08 -2.20 -0.16 -2.12 4.32 -1.26 -2.07 117.00 113.59 1e9o n LEU 124 Ca 0.11 -0.14 -0.02 0.00 -0.02 0.00 0.00 56.01 55.94 1e9o n LEU 124 Cb 0.22 -2.54 -0.01 0.00 -1.62 0.00 0.00 43.42 39.47 1e9o n LEU 124 CO 0.09 0.04 -0.02 0.61 -1.22 0.00 0.00 177.39 176.88 1e9o n GLY 125 N -1.23 0.53 0.57 -0.72 0.00 -1.26 -3.42 105.19 99.66 1e9o n GLY 125 Ca -0.14 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.64 1e9o n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e9o n ARG 126 N -2.25 2.82 0.16 1.61 5.12 -0.88 -4.66 116.66 118.58 1e9o n ARG 126 Ca -0.02 -2.18 0.00 0.00 -1.93 0.00 0.00 57.85 53.72 1e9o n ARG 126 Cb 0.15 -1.37 0.25 0.00 -1.16 0.00 0.00 32.46 30.33 1e9o n ARG 126 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1e9o h GLY 127 N 1.56 0.01 0.00 -0.13 0.00 -1.90 -3.48 103.07 99.12 1e9o h GLY 127 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1e9o h GLY 127 CO 0.05 0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.21 1e9o n GLY 128 N -0.07 0.47 3.71 4.60 0.00 -1.26 -5.03 105.19 107.61 1e9o n GLY 128 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1e9o n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e9o s ASN 129 N -2.48 4.25 0.24 1.61 2.20 -1.26 -5.04 114.94 114.46 1e9o s ASN 129 Ca 0.00 -1.22 -0.07 0.00 -0.94 0.00 0.00 52.86 50.64 1e9o s ASN 129 Cb 0.00 -0.35 0.24 0.00 -2.00 0.00 0.00 41.25 39.15 1e9o s ASN 129 CO 0.00 -0.56 1.91 -0.08 -2.94 0.00 0.00 177.10 175.43 1e9o h GLU 130 N 1.49 1.29 -0.55 3.55 4.81 -2.01 -2.78 114.58 120.39 1e9o h GLU 130 Ca -0.43 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1e9o h GLU 130 Cb 1.26 -0.29 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 1e9o h GLU 130 CO 0.73 0.87 0.36 1.49 -0.73 0.00 0.00 179.01 181.73 1e9o h GLU 131 N 1.32 0.72 -0.98 1.92 4.57 -2.00 -0.33 114.58 119.81 1e9o h GLU 131 Ca 0.35 -0.04 0.13 0.00 -1.18 0.00 0.00 59.36 58.62 1e9o h GLU 131 Cb -0.13 -0.16 -0.08 0.00 -0.16 0.00 0.00 28.75 28.22 1e9o h GLU 131 CO -0.07 0.48 0.62 1.03 -1.18 0.00 0.00 179.01 179.88 1e9o h SER 132 N 0.75 0.85 0.23 1.04 0.87 -1.84 0.29 113.55 115.74 1e9o h SER 132 Ca 0.20 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1e9o h SER 132 Cb -0.09 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1e9o h SER 132 CO -0.04 0.43 0.00 0.35 -0.53 0.00 0.00 176.83 177.04 1e9o n THR 133 N -4.62 0.03 -0.06 2.23 -2.24 -0.14 -2.04 114.28 107.44 1e9o n THR 133 Ca 0.19 0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.86 1e9o n THR 133 Cb 0.41 -0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 68.05 1e9o n THR 133 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1e9o n SER 134 N -1.12 1.47 0.00 3.42 7.64 -0.24 -1.26 113.62 123.52 1e9o n SER 134 Ca 0.18 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1e9o n SER 134 Cb 0.16 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1e9o n SER 134 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1e9o n THR 135 N -3.35 0.00 -1.00 0.44 -2.24 -0.08 -4.69 114.28 103.37 1e9o n THR 135 Ca -0.23 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1e9o n THR 135 Cb 0.68 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 70.17 1e9o n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1e9o n GLY 136 N 0.23 0.68 2.38 3.38 0.00 -0.87 -2.81 105.19 108.19 1e9o n GLY 136 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1e9o n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1e9o n ASN 137 N 0.00 -5.68 0.00 1.61 3.02 -1.26 -0.49 115.26 112.46 1e9o n ASN 137 Ca 0.00 -0.02 0.12 0.00 -0.03 0.00 0.00 54.58 54.65 1e9o n ASN 137 Cb 0.00 -4.71 0.53 0.00 -0.61 0.00 0.00 39.78 34.99 1e9o n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1e9o n ALA 138 N -1.98 2.14 -0.37 5.41 0.00 -1.12 -4.78 120.51 119.81 1e9o n ALA 138 Ca -0.23 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1e9o n ALA 138 Cb 0.68 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1e9o n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1e9o n GLY 139 N 1.07 -0.13 3.71 0.00 0.00 -1.26 -1.52 105.19 107.06 1e9o n GLY 139 Ca 0.06 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 1e9o n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1e9o s SER 140 N -4.00 3.70 -0.52 1.61 1.04 -1.26 -4.63 113.70 109.64 1e9o s SER 140 Ca 0.00 2.10 -0.20 0.00 0.48 0.00 0.00 55.95 58.34 1e9o s SER 140 Cb 0.00 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.62 1e9o s SER 140 CO 0.00 -2.58 0.67 -0.13 0.98 0.00 0.00 173.24 172.18 1e9o s ARG 141 N -4.57 3.15 0.12 4.02 0.52 -1.26 -0.57 118.95 120.35 1e9o s ARG 141 Ca 0.66 -0.83 -0.02 0.00 -0.52 0.00 0.00 55.73 55.02 1e9o s ARG 141 Cb -0.22 -4.10 -0.13 0.00 0.52 0.00 0.00 34.95 31.02 1e9o s ARG 141 CO 0.54 -1.27 1.28 -0.07 0.02 0.00 0.00 175.30 175.80 1e9o h LEU 142 N 9.89 0.41 -7.24 2.53 3.38 -1.50 -3.47 115.31 119.30 1e9o h LEU 142 Ca -0.27 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.30 1e9o h LEU 142 Cb 1.09 -0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.59 1e9o h LEU 142 CO 0.99 1.19 0.04 0.00 0.09 0.00 0.00 178.44 180.75 1e9o s ALA 143 N -3.06 -1.21 0.12 1.53 0.00 -1.19 -4.17 121.76 113.79 1e9o s ALA 143 Ca -0.04 0.21 -0.25 0.00 0.00 0.00 0.00 51.96 51.88 1e9o s ALA 143 Cb 0.09 0.72 0.07 0.00 0.00 0.00 0.00 23.12 24.00 1e9o s ALA 143 CO 0.86 -0.67 0.86 0.00 0.00 0.00 0.00 175.76 176.81 1e9o s GLY 145 N -2.77 -0.57 0.13 0.00 0.00 -1.05 -1.52 107.32 101.54 1e9o s GLY 145 Ca 0.08 0.42 -0.20 0.00 0.00 0.00 0.00 44.72 45.02 1e9o s GLY 145 CO -0.03 0.10 0.64 0.14 0.00 0.00 0.00 173.10 173.96 1e9o s VAL 146 N -3.76 4.64 -0.16 1.40 1.01 -1.26 -1.94 120.40 120.33 1e9o s VAL 146 Ca 0.01 1.28 -0.27 0.00 0.00 0.00 0.00 61.98 63.01 1e9o s VAL 146 Cb -0.01 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1e9o s VAL 146 CO -0.13 0.44 0.92 -0.63 0.00 0.00 0.00 175.10 175.70 1e9o s ILE 147 N -1.25 4.82 0.28 2.22 1.01 -0.05 -4.50 121.20 123.72 1e9o s ILE 147 Ca 0.34 1.82 0.11 0.00 0.00 0.00 0.00 60.65 62.92 1e9o s ILE 147 Cb -0.19 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 1e9o s ILE 147 CO 0.21 -0.02 -0.17 -0.83 0.00 0.00 0.00 174.94 174.12 1e9o s GLY 148 N 1.15 1.87 0.19 6.18 0.00 0.23 -0.45 107.32 116.49 1e9o s GLY 148 Ca 0.42 -1.88 -0.30 0.00 0.00 0.00 0.00 44.72 42.96 1e9o s GLY 148 CO 0.13 -1.95 1.33 -0.42 0.00 0.00 0.00 173.10 172.19 1e9o s ILE 149 N -2.60 3.17 0.35 0.90 1.01 -1.26 -0.38 121.20 122.39 1e9o s ILE 149 Ca 0.29 0.94 0.09 0.00 0.00 0.00 0.00 60.65 61.98 1e9o s ILE 149 Cb -0.03 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 38.77 1e9o s ILE 149 CO 0.14 0.13 -0.06 0.00 0.00 0.00 0.00 174.94 175.15 1e9o s ALA 150 N 0.23 3.03 -2.00 9.38 0.00 -0.69 -4.77 121.76 126.94 1e9o s ALA 150 Ca 0.58 -2.10 0.31 0.00 0.00 0.00 0.00 51.96 50.75 1e9o s ALA 150 Cb -0.37 -0.08 1.85 0.00 0.00 0.00 0.00 23.12 24.52 1e9o s ALA 150 CO 0.38 0.05 2.18 1.17 0.00 0.00 0.00 175.76 179.54