#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zye s ALA 3 N 0.00 2.04 -1.17 0.55 0.00 -1.26 -4.98 121.76 116.95 1zye s ALA 3 Ca 0.00 -1.74 -0.20 0.00 0.00 0.00 0.00 51.96 50.02 1zye s ALA 3 Cb 0.00 1.08 0.07 0.00 0.00 0.00 0.00 23.12 24.27 1zye s ALA 3 CO 0.00 -0.48 1.58 0.08 0.00 0.00 0.00 175.76 176.95 1zye s VAL 4 N -3.57 4.10 0.00 0.00 1.01 -1.26 -2.87 120.40 117.81 1zye s VAL 4 Ca 0.35 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1zye s VAL 4 Cb 0.05 -5.11 0.00 0.00 0.00 0.00 0.00 36.38 31.32 1zye s VAL 4 CO 0.17 -1.96 0.00 0.35 0.00 0.00 0.00 175.10 173.66 1zye n THR 5 N 6.49 0.00 -2.99 3.92 -2.24 -1.01 -4.96 114.28 113.49 1zye n THR 5 Ca 0.41 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 62.01 1zye n THR 5 Cb 0.48 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.73 1zye n THR 5 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1zye s GLN 6 N 0.00 2.77 0.31 -0.78 -0.21 -1.14 -4.82 119.66 115.79 1zye s GLN 6 Ca 0.00 -1.24 -0.28 0.00 0.02 0.00 0.00 55.36 53.86 1zye s GLN 6 Cb 0.00 -2.74 -0.09 0.00 1.00 0.00 0.00 33.01 31.18 1zye s GLN 6 CO 0.00 -0.34 1.06 -1.01 -2.12 0.00 0.00 175.29 172.88 1zye s HIS 7 N -2.40 3.53 0.22 0.91 3.76 -1.26 -1.50 115.29 118.56 1zye s HIS 7 Ca 0.56 1.71 -0.30 0.00 -0.15 0.00 0.00 55.06 56.87 1zye s HIS 7 Cb -0.10 -3.20 -0.10 0.00 1.11 0.00 0.00 32.58 30.30 1zye s HIS 7 CO 0.34 -0.45 1.46 0.00 -0.85 0.00 0.00 174.74 175.24 1zye s ALA 8 N -1.32 3.65 0.35 -1.40 0.00 0.68 -4.81 121.76 118.92 1zye s ALA 8 Ca 0.48 1.32 -0.25 0.00 0.00 0.00 0.00 51.96 53.50 1zye s ALA 8 Cb -0.28 -3.57 -0.13 0.00 0.00 0.00 0.00 23.12 19.14 1zye s ALA 8 CO 0.36 -0.73 0.81 -2.30 0.00 0.00 0.00 175.76 173.90 1zye n PRO 9 N 2.79 0.97 -1.71 0.00 -0.02 -1.26 -4.92 135.00 130.84 1zye n PRO 9 Ca 0.08 0.34 -0.39 0.00 -2.02 0.00 0.00 63.50 61.52 1zye n PRO 9 Cb 0.40 -1.70 0.03 0.00 -0.02 0.00 0.00 33.50 32.21 1zye n PRO 9 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1zye n TYR 10 N -0.31 2.05 -3.82 6.00 9.36 -1.26 -4.95 117.16 124.23 1zye n TYR 10 Ca 0.11 0.46 -0.12 0.00 3.32 0.00 0.00 57.90 61.66 1zye n TYR 10 Cb 0.35 -2.34 -0.12 0.00 -0.63 0.00 0.00 39.34 36.61 1zye n TYR 10 CO 0.00 0.00 0.00 -0.59 0.22 0.00 0.00 176.86 176.49 1zye s PHE 11 N -1.28 -0.15 0.11 2.98 -0.12 -1.26 -4.98 117.98 113.27 1zye s PHE 11 Ca 0.68 0.36 0.04 0.00 -0.05 0.00 0.00 56.93 57.96 1zye s PHE 11 Cb -0.45 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 1zye s PHE 11 CO 0.52 -0.15 -0.10 0.21 -0.05 0.00 0.00 175.22 175.65 1zye s LYS 12 N -0.26 0.91 0.00 1.99 2.20 -1.26 -1.32 119.74 121.99 1zye s LYS 12 Ca -0.04 -1.23 0.00 0.00 -0.36 0.00 0.00 55.97 54.35 1zye s LYS 12 Cb -0.03 -0.58 0.00 0.00 -1.51 0.00 0.00 37.83 35.71 1zye s LYS 12 CO 0.01 0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 1zye n GLY 13 N 0.40 2.76 3.69 5.54 0.00 -0.89 -4.99 105.19 111.70 1zye n GLY 13 Ca -0.15 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1zye n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zye s THR 14 N -2.00 4.47 0.30 2.61 2.01 -1.26 -2.04 115.64 119.73 1zye s THR 14 Ca 0.00 1.77 0.09 0.00 0.31 0.00 0.00 61.69 63.86 1zye s THR 14 Cb 0.00 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 1zye s THR 14 CO 0.00 -0.01 0.04 0.00 -0.69 0.00 0.00 174.62 173.96 1zye s ALA 15 N 2.18 3.26 -0.52 7.40 0.00 -0.14 -0.97 121.76 132.97 1zye s ALA 15 Ca 0.53 -1.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.55 1zye s ALA 15 Cb -0.22 -0.67 0.10 0.00 0.00 0.00 0.00 23.12 22.34 1zye s ALA 15 CO 0.20 0.16 0.50 0.08 0.00 0.00 0.00 175.76 176.70 1zye s VAL 16 N -2.40 5.14 -0.13 0.00 1.01 0.11 -1.21 120.40 122.93 1zye s VAL 16 Ca 0.34 -1.23 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 1zye s VAL 16 Cb -0.04 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 1zye s VAL 16 CO 0.20 -0.81 0.07 0.58 0.00 0.00 0.00 175.10 175.14 1zye h VAL 17 N 5.85 0.31 0.00 2.92 2.07 -0.65 -2.58 116.25 124.16 1zye h VAL 17 Ca -0.29 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1zye h VAL 17 Cb 1.10 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1zye h VAL 17 CO 0.99 0.10 0.00 -1.20 0.02 0.00 0.00 177.57 177.49 1zye n SER 18 N -4.68 0.00 -0.90 0.57 7.64 -1.26 -4.67 113.62 110.31 1zye n SER 18 Ca -0.06 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.90 1zye n SER 18 Cb 0.19 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.61 1zye n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zye n GLY 19 N 4.22 2.98 3.37 0.23 0.00 -1.26 -4.88 105.19 109.85 1zye n GLY 19 Ca 0.00 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 1zye n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zye s GLU 20 N -1.47 1.35 0.10 1.61 2.02 -1.26 -5.11 118.70 115.94 1zye s GLU 20 Ca 0.34 -1.32 -0.30 0.00 0.02 0.00 0.00 54.97 53.70 1zye s GLU 20 Cb 0.21 -1.80 -0.06 0.00 0.10 0.00 0.00 34.13 32.57 1zye s GLU 20 CO 0.18 0.42 1.17 -0.06 0.02 0.00 0.00 175.26 176.99 1zye s PHE 21 N -1.10 3.48 -0.07 1.61 0.08 -1.26 0.09 117.98 120.81 1zye s PHE 21 Ca 0.13 1.40 -0.04 0.00 0.12 0.00 0.00 56.93 58.54 1zye s PHE 21 Cb -0.10 -3.37 0.03 0.00 -0.57 0.00 0.00 43.02 39.01 1zye s PHE 21 CO 0.06 -1.06 0.16 0.21 -0.10 0.00 0.00 175.22 174.49 1zye s LYS 22 N 0.55 0.13 -0.02 0.44 2.20 -0.35 -4.88 119.74 117.81 1zye s LYS 22 Ca 0.55 0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 56.22 1zye s LYS 22 Cb -0.29 -0.10 -0.06 0.00 -1.51 0.00 0.00 37.83 35.86 1zye s LYS 22 CO 0.31 -0.13 1.70 -1.21 -0.36 0.00 0.00 175.35 175.67 1zye s GLU 23 N 0.90 4.18 0.01 4.03 0.41 -1.26 -0.96 118.70 126.00 1zye s GLU 23 Ca -0.07 2.27 0.05 0.00 -0.41 0.00 0.00 54.97 56.81 1zye s GLU 23 Cb -0.09 -3.95 -0.02 0.00 -1.78 0.00 0.00 34.13 28.30 1zye s GLU 23 CO -0.05 -0.84 -0.14 0.96 -0.49 0.00 0.00 175.26 174.70 1zye s ILE 24 N 3.86 1.12 0.23 -1.63 -4.36 -0.87 -4.97 121.20 114.60 1zye s ILE 24 Ca 0.76 -0.76 0.03 0.00 -0.26 0.00 0.00 60.65 60.41 1zye s ILE 24 Cb -0.36 -0.97 -0.05 0.00 1.25 0.00 0.00 42.46 42.33 1zye s ILE 24 CO 0.32 0.20 0.02 -0.94 0.24 0.00 0.00 174.94 174.78 1zye s SER 25 N -0.65 1.65 0.45 4.36 1.04 -1.26 -2.10 113.70 117.20 1zye s SER 25 Ca 0.04 -1.25 0.20 0.00 0.48 0.00 0.00 55.95 55.42 1zye s SER 25 Cb -0.06 0.05 1.17 0.00 0.10 0.00 0.00 66.02 67.28 1zye s SER 25 CO 0.00 -0.57 1.89 0.25 0.98 0.00 0.00 173.24 175.79 1zye h LEU 26 N 2.46 0.30 -1.49 2.42 5.85 -1.57 -2.02 115.31 121.26 1zye h LEU 26 Ca -0.38 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 1zye h LEU 26 Cb 1.23 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1zye h LEU 26 CO 0.64 0.13 0.25 0.44 -0.34 0.00 0.00 178.44 179.56 1zye h ASP 27 N 0.30 0.53 0.00 1.25 3.32 -1.96 -1.28 116.42 118.58 1zye h ASP 27 Ca 0.42 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1zye h ASP 27 Cb 1.17 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1zye h ASP 27 CO -0.12 0.42 0.06 0.47 -1.72 0.00 0.00 179.24 178.35 1zye n ASP 28 N -4.43 0.36 -0.48 6.45 9.92 -0.76 -1.50 116.55 126.11 1zye n ASP 28 Ca 0.03 0.64 0.05 0.00 -0.53 0.00 0.00 54.79 54.98 1zye n ASP 28 Cb 0.09 -0.67 0.09 0.00 -0.64 0.00 0.00 41.12 39.99 1zye n ASP 28 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1zye n PHE 29 N -1.98 0.23 -1.54 1.24 3.72 -0.48 -4.97 117.46 113.68 1zye n PHE 29 Ca -0.01 -0.28 -0.51 0.00 -0.05 0.00 0.00 57.45 56.59 1zye n PHE 29 Cb 0.08 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.55 1zye n PHE 29 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1zye n LYS 30 N 0.45 0.75 -2.04 -1.08 3.00 -0.56 -0.63 118.16 118.06 1zye n LYS 30 Ca 0.08 0.27 -0.17 0.00 -0.00 0.00 0.00 58.31 58.49 1zye n LYS 30 Cb 0.33 -1.72 -0.03 0.00 0.00 0.00 0.00 35.03 33.61 1zye n LYS 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1zye n GLY 31 N 1.95 0.36 3.18 3.14 0.00 0.35 -4.99 105.19 109.18 1zye n GLY 31 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1zye n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zye s LYS 32 N -4.38 0.87 0.29 1.61 1.02 0.20 -4.85 119.74 114.51 1zye s LYS 32 Ca 0.00 -1.36 -0.24 0.00 0.02 0.00 0.00 55.97 54.40 1zye s LYS 32 Cb 0.00 -0.27 -0.09 0.00 -0.52 0.00 0.00 37.83 36.94 1zye s LYS 32 CO 0.00 -0.00 0.87 0.71 -0.92 0.00 0.00 175.35 176.01 1zye s TYR 33 N -3.58 3.66 -0.06 3.18 1.51 -0.84 -2.47 117.35 118.75 1zye s TYR 33 Ca 0.13 1.65 0.01 0.00 -1.01 0.00 0.00 57.07 57.85 1zye s TYR 33 Cb 0.05 -2.82 0.02 0.00 -0.11 0.00 0.00 41.96 39.10 1zye s TYR 33 CO -0.04 0.24 -0.08 -1.17 -1.11 0.00 0.00 175.55 173.39 1zye s LEU 34 N -2.07 1.44 -0.47 -1.29 0.20 -0.38 0.21 118.68 116.30 1zye s LEU 34 Ca 0.48 -0.22 -0.11 0.00 0.69 0.00 0.00 54.13 54.97 1zye s LEU 34 Cb -0.18 -0.66 0.11 0.00 -0.43 0.00 0.00 46.19 45.04 1zye s LEU 34 CO 0.22 -0.02 0.36 -0.69 -0.29 0.00 0.00 176.35 175.93 1zye s VAL 35 N 0.91 4.51 -0.26 1.68 1.01 0.18 -0.57 120.40 127.87 1zye s VAL 35 Ca -0.11 -1.58 -0.16 0.00 0.00 0.00 0.00 61.98 60.13 1zye s VAL 35 Cb -0.15 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1zye s VAL 35 CO 0.01 -0.72 0.44 -0.22 0.00 0.00 0.00 175.10 174.61 1zye s LEU 36 N 1.45 4.06 0.02 3.92 2.96 -0.68 -1.84 118.68 128.58 1zye s LEU 36 Ca 0.04 0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.41 1zye s LEU 36 Cb -0.26 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.86 1zye s LEU 36 CO 0.01 -0.22 -0.08 0.72 -1.32 0.00 0.00 176.35 175.47 1zye s PHE 37 N 2.08 0.69 0.00 5.38 -0.71 -0.67 0.46 117.98 125.22 1zye s PHE 37 Ca 0.18 -0.31 0.02 0.00 -1.04 0.00 0.00 56.93 55.79 1zye s PHE 37 Cb -0.16 -0.42 -0.03 0.00 -1.21 0.00 0.00 43.02 41.20 1zye s PHE 37 CO 0.09 -0.03 -0.03 -0.06 -1.34 0.00 0.00 175.22 173.85 1zye s PHE 38 N -0.79 2.99 0.06 3.49 0.40 0.25 -0.50 117.98 123.89 1zye s PHE 38 Ca -0.03 0.02 0.02 0.00 -0.60 0.00 0.00 56.93 56.34 1zye s PHE 38 Cb -0.06 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 1zye s PHE 38 CO 0.00 0.42 -0.07 1.52 0.70 0.00 0.00 175.22 177.79 1zye s TYR 39 N -1.04 0.76 0.00 0.36 1.13 -0.19 -3.37 117.35 115.00 1zye s TYR 39 Ca 0.18 -0.68 0.00 0.00 -1.41 0.00 0.00 57.07 55.17 1zye s TYR 39 Cb -0.11 -0.45 0.00 0.00 -1.10 0.00 0.00 41.96 40.30 1zye s TYR 39 CO 0.09 -0.11 0.63 -2.30 -2.51 0.00 0.00 175.55 171.34 1zye n PRO 40 N 0.84 0.00 -3.94 -3.49 -0.02 -1.25 -4.33 135.00 122.81 1zye n PRO 40 Ca -0.18 0.25 -0.10 0.00 -2.02 0.00 0.00 63.50 61.45 1zye n PRO 40 Cb 0.57 -1.13 -0.11 0.00 -0.02 0.00 0.00 33.50 32.81 1zye n PRO 40 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1zye s LEU 41 N -2.08 2.03 0.78 2.45 1.43 -1.26 -4.10 118.68 117.92 1zye s LEU 41 Ca 0.00 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 1zye s LEU 41 Cb 0.00 0.24 0.06 0.00 0.03 0.00 0.00 46.19 46.52 1zye s LEU 41 CO 0.00 -0.28 1.11 -1.81 0.23 0.00 0.00 176.35 175.60 1zye s ASP 42 N -1.25 4.27 -1.79 2.29 1.01 -1.26 -3.72 116.67 116.21 1zye s ASP 42 Ca -0.14 1.97 0.00 0.00 0.71 0.00 0.00 52.55 55.09 1zye s ASP 42 Cb -0.08 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1zye s ASP 42 CO -0.00 -2.20 0.00 0.49 0.21 0.00 0.00 175.17 173.67 1zye n PHE 43 N -3.42 -0.61 -3.72 4.23 3.72 -1.26 -5.00 117.46 111.41 1zye n PHE 43 Ca 0.10 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.16 1zye n PHE 43 Cb 0.52 -3.44 -0.05 0.00 -0.94 0.00 0.00 39.48 35.57 1zye n PHE 43 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1zye s THR 44 N -2.76 5.25 0.38 4.37 -4.23 -1.24 -5.01 115.64 112.40 1zye s THR 44 Ca 0.00 0.21 0.19 0.00 -1.18 0.00 0.00 61.69 60.91 1zye s THR 44 Cb 0.00 -3.59 0.19 0.00 1.34 0.00 0.00 72.50 70.43 1zye s THR 44 CO 0.00 0.32 1.93 -0.26 -0.54 0.00 0.00 174.62 176.08 1zye h PHE 45 N 3.83 0.00 0.00 3.99 0.04 -1.94 -3.19 116.94 119.67 1zye h PHE 45 Ca -0.49 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.10 1zye h PHE 45 Cb 1.19 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.32 1zye h PHE 45 CO 0.67 0.24 -0.85 0.28 -0.60 0.00 0.00 178.31 178.06 1zye h VAL 46 N 0.00 1.51 0.00 -0.55 2.07 -1.97 -3.40 116.25 113.91 1zye h VAL 46 Ca -0.00 -3.00 -0.19 0.00 0.82 0.00 0.00 66.70 64.33 1zye h VAL 46 Cb 0.51 2.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 1zye h VAL 46 CO 0.03 0.83 -0.99 0.00 0.02 0.00 0.00 177.57 177.46 1zye h PRO 48 N 0.00 0.57 -0.64 0.00 0.13 -1.78 -3.19 132.00 127.09 1zye h PRO 48 Ca -0.06 -0.43 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1zye h PRO 48 Cb 1.68 0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.85 1zye h PRO 48 CO 0.10 1.06 0.39 1.79 -0.23 0.00 0.00 178.00 181.10 1zye h THR 49 N 0.41 1.06 -0.18 1.56 1.35 -1.90 -0.84 112.91 114.36 1zye h THR 49 Ca -0.02 -0.26 -0.15 0.00 -0.55 0.00 0.00 66.41 65.43 1zye h THR 49 Cb 1.27 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 1zye h THR 49 CO 0.13 0.14 -0.50 -0.08 -0.25 0.00 0.00 175.52 174.95 1zye h GLU 50 N 0.76 0.50 -0.05 4.72 4.81 -1.86 -1.34 114.58 122.12 1zye h GLU 50 Ca 0.26 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1zye h GLU 50 Cb 0.05 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1zye h GLU 50 CO -0.12 0.89 -0.04 0.82 -0.73 0.00 0.00 179.01 179.83 1zye h ILE 51 N 0.40 1.35 -0.44 2.32 2.04 -1.44 -3.04 117.51 118.70 1zye h ILE 51 Ca 0.02 -1.12 0.09 0.00 1.00 0.00 0.00 64.86 64.85 1zye h ILE 51 Cb 1.02 1.99 -0.09 0.00 -0.74 0.00 0.00 36.82 39.00 1zye h ILE 51 CO 0.09 0.30 -0.24 0.40 0.00 0.00 0.00 178.15 178.71 1zye h ILE 52 N -0.30 0.34 -0.87 -0.67 2.04 -1.21 -1.91 117.51 114.93 1zye h ILE 52 Ca 0.01 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.09 1zye h ILE 52 Cb 0.51 0.34 -0.13 0.00 -0.74 0.00 0.00 36.82 36.80 1zye h ILE 52 CO 0.01 0.00 0.31 0.00 0.00 0.00 0.00 178.15 178.47 1zye h ALA 53 N 1.10 1.32 -0.24 1.87 0.00 -1.21 0.88 119.26 122.98 1zye h ALA 53 Ca 0.21 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.23 1zye h ALA 53 Cb 0.47 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1zye h ALA 53 CO -0.53 -0.40 -0.13 0.74 0.00 0.00 0.00 179.25 178.93 1zye h PHE 54 N 0.31 0.58 -0.76 0.00 0.04 -1.33 -2.67 116.94 113.11 1zye h PHE 54 Ca 0.54 -0.15 0.05 0.00 2.80 0.00 0.00 57.97 61.21 1zye h PHE 54 Cb 1.05 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 39.02 1zye h PHE 54 CO -0.20 0.78 0.50 1.03 -0.60 0.00 0.00 178.31 179.82 1zye h SER 55 N 0.22 0.75 0.09 2.17 0.87 -0.14 0.38 113.55 117.88 1zye h SER 55 Ca 0.05 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1zye h SER 55 Cb 0.64 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1zye h SER 55 CO 0.04 0.50 -0.04 0.44 -0.53 0.00 0.00 176.83 177.23 1zye h ASP 56 N 0.86 -0.10 0.00 6.23 3.32 -1.00 -3.22 116.42 122.50 1zye h ASP 56 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1zye h ASP 56 Cb 0.16 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1zye h ASP 56 CO -0.10 -0.07 0.00 0.29 -1.72 0.00 0.00 179.24 177.64 1zye n LYS 57 N -2.34 0.53 -0.15 3.56 4.76 -0.91 -4.18 118.16 119.43 1zye n LYS 57 Ca -0.02 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.36 1zye n LYS 57 Cb 0.05 -1.03 -0.00 0.00 -1.84 0.00 0.00 35.03 32.20 1zye n LYS 57 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1zye h ALA 58 N 2.13 -0.10 -0.49 7.82 0.00 -0.94 -1.60 119.26 126.08 1zye h ALA 58 Ca 0.00 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1zye h ALA 58 Cb 0.00 0.71 -0.10 0.00 0.00 0.00 0.00 17.79 18.40 1zye h ALA 58 CO 0.00 -0.69 -0.27 0.66 0.00 0.00 0.00 179.25 178.94 1zye h SER 59 N -0.21 -0.94 -0.99 0.00 4.64 -1.85 -2.16 113.55 112.04 1zye h SER 59 Ca 0.20 0.19 0.23 0.00 -0.47 0.00 0.00 61.79 61.94 1zye h SER 59 Cb 0.53 0.48 -0.19 0.00 -0.31 0.00 0.00 62.40 62.91 1zye h SER 59 CO -0.58 -0.28 -0.13 -0.33 -0.87 0.00 0.00 176.83 174.63 1zye h GLU 60 N -0.16 0.00 -0.38 4.77 5.08 -1.61 0.58 114.58 122.86 1zye h GLU 60 Ca 0.22 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1zye h GLU 60 Cb 0.51 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1zye h GLU 60 CO -0.58 0.00 0.11 0.74 -1.00 0.00 0.00 179.01 178.28 1zye h PHE 61 N 0.00 0.62 -0.67 4.33 -1.00 -1.38 -2.79 116.94 116.05 1zye h PHE 61 Ca 0.53 -0.07 0.04 0.00 2.81 0.00 0.00 57.97 61.28 1zye h PHE 61 Cb 0.94 -0.18 -0.05 0.00 3.61 0.00 0.00 35.95 40.28 1zye h PHE 61 CO -0.65 0.59 0.40 0.45 -1.61 0.00 0.00 178.31 177.49 1zye h HIS 62 N 0.46 0.74 -0.12 -0.55 3.86 0.54 0.24 115.15 120.33 1zye h HIS 62 Ca 0.12 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1zye h HIS 62 Cb 0.27 -0.24 -0.06 0.00 1.06 0.00 0.00 27.41 28.44 1zye h HIS 62 CO 0.01 0.40 -0.49 -0.44 0.86 0.00 0.00 177.93 178.26 1zye h ASP 63 N 0.76 -1.55 0.00 2.45 3.45 -0.64 0.10 116.42 120.99 1zye h ASP 63 Ca 0.28 0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.93 1zye h ASP 63 Cb 0.09 0.61 0.00 0.00 -0.56 0.00 0.00 39.33 39.47 1zye h ASP 63 CO -0.14 -0.47 0.00 1.33 -1.57 0.00 0.00 179.24 178.39 1zye n VAL 64 N -5.44 0.28 -3.54 -1.35 0.24 -0.66 -4.80 118.33 103.06 1zye n VAL 64 Ca -0.05 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.03 1zye n VAL 64 Cb 0.38 -0.58 0.08 0.00 -1.47 0.00 0.00 33.84 32.25 1zye n VAL 64 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1zye n ASN 65 N 0.26 -4.47 -3.92 -1.34 5.15 0.36 -4.91 115.26 106.39 1zye n ASN 65 Ca 0.00 -0.58 -0.25 0.00 -0.60 0.00 0.00 54.58 53.15 1zye n ASN 65 Cb 0.28 -5.04 -0.17 0.00 -0.53 0.00 0.00 39.78 34.32 1zye n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1zye s GLU 67 N 1.34 3.82 -0.13 0.00 0.41 0.13 -2.99 118.70 121.29 1zye s GLU 67 Ca -0.03 0.55 -0.01 0.00 -0.41 0.00 0.00 54.97 55.08 1zye s GLU 67 Cb -0.14 -2.36 0.03 0.00 -1.78 0.00 0.00 34.13 29.89 1zye s GLU 67 CO -0.04 -0.06 -0.05 0.08 -0.49 0.00 0.00 175.26 174.71 1zye s VAL 68 N -2.38 0.92 -0.12 2.63 1.01 -1.26 -0.65 120.40 120.55 1zye s VAL 68 Ca 0.52 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.20 1zye s VAL 68 Cb -0.10 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1zye s VAL 68 CO 0.30 0.25 -0.20 0.54 0.00 0.00 0.00 175.10 175.99 1zye s VAL 69 N 1.74 1.87 0.09 2.92 0.11 -0.77 -3.32 120.40 123.04 1zye s VAL 69 Ca 0.03 -0.88 -0.12 0.00 -2.93 0.00 0.00 61.98 58.08 1zye s VAL 69 Cb -0.14 -1.66 -0.06 0.00 -1.53 0.00 0.00 36.38 33.00 1zye s VAL 69 CO -0.08 0.52 0.46 0.00 -3.33 0.00 0.00 175.10 172.67 1zye s ALA 70 N 0.71 3.67 -0.03 1.54 0.00 -0.68 -1.66 121.76 125.30 1zye s ALA 70 Ca -0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.55 1zye s ALA 70 Cb -0.16 -2.39 0.01 0.00 0.00 0.00 0.00 23.12 20.58 1zye s ALA 70 CO 0.02 0.51 0.11 0.54 0.00 0.00 0.00 175.76 176.94 1zye s VAL 71 N -1.37 0.02 0.20 0.00 0.11 0.35 0.01 120.40 119.72 1zye s VAL 71 Ca 0.33 -0.16 -0.09 0.00 -2.93 0.00 0.00 61.98 59.13 1zye s VAL 71 Cb -0.15 -0.21 -0.01 0.00 -1.53 0.00 0.00 36.38 34.47 1zye s VAL 71 CO 0.18 -0.09 0.33 -0.94 -3.33 0.00 0.00 175.10 171.25 1zye s SER 72 N -0.25 0.01 0.00 3.54 1.04 -1.15 -1.02 113.70 115.88 1zye s SER 72 Ca -0.03 -0.99 0.11 0.00 0.48 0.00 0.00 55.95 55.52 1zye s SER 72 Cb -0.02 0.48 0.66 0.00 0.10 0.00 0.00 66.02 67.24 1zye s SER 72 CO 0.00 -0.98 1.25 1.33 0.98 0.00 0.00 173.24 175.82 1zye n VAL 73 N -0.29 0.00 -1.54 5.02 0.24 -1.26 -1.03 118.33 119.47 1zye n VAL 73 Ca -0.03 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.97 1zye n VAL 73 Cb 0.63 -0.34 0.10 0.00 -1.47 0.00 0.00 33.84 32.76 1zye n VAL 73 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1zye s ASP 74 N -1.58 4.23 0.65 -1.34 1.01 -1.26 -3.96 116.67 114.43 1zye s ASP 74 Ca 0.17 1.23 -0.15 0.00 0.71 0.00 0.00 52.55 54.50 1zye s ASP 74 Cb 0.08 -1.92 -0.00 0.00 1.01 0.00 0.00 42.92 42.08 1zye s ASP 74 CO 0.13 -2.12 1.11 -0.94 0.21 0.00 0.00 175.17 173.56 1zye s SER 75 N -3.92 5.12 0.42 0.27 1.04 -1.26 -3.56 113.70 111.80 1zye s SER 75 Ca 0.62 2.02 0.29 0.00 0.48 0.00 0.00 55.95 59.36 1zye s SER 75 Cb -0.15 -2.55 1.38 0.00 0.10 0.00 0.00 66.02 64.80 1zye s SER 75 CO 0.54 -1.63 1.89 1.12 0.98 0.00 0.00 173.24 176.14 1zye h HIS 76 N 0.09 0.00 -0.16 5.02 2.07 -1.92 -2.11 115.15 118.14 1zye h HIS 76 Ca -0.47 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 56.92 1zye h HIS 76 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 1zye h HIS 76 CO 0.54 0.00 -0.40 0.74 -3.07 0.00 0.00 177.93 175.74 1zye h PHE 77 N 0.00 0.72 -0.25 6.12 0.04 -1.98 -1.97 116.94 119.63 1zye h PHE 77 Ca 0.00 -0.27 0.03 0.00 2.80 0.00 0.00 57.97 60.52 1zye h PHE 77 Cb 0.26 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 1zye h PHE 77 CO 0.00 1.03 0.08 0.77 -0.60 0.00 0.00 178.31 179.58 1zye h SER 78 N 0.20 0.08 -0.53 2.17 0.02 -1.81 -1.31 113.55 112.36 1zye h SER 78 Ca -0.00 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.05 1zye h SER 78 Cb 1.01 0.02 -0.10 0.00 0.14 0.00 0.00 62.40 63.48 1zye h SER 78 CO 0.09 0.08 -0.47 0.45 -1.14 0.00 0.00 176.83 175.83 1zye h HIS 79 N 0.19 -1.41 -0.17 3.45 3.86 -1.32 -1.41 115.15 118.33 1zye h HIS 79 Ca 0.11 0.08 0.02 0.00 -1.16 0.00 0.00 60.37 59.42 1zye h HIS 79 Cb 0.08 0.69 -0.02 0.00 1.06 0.00 0.00 27.41 29.22 1zye h HIS 79 CO -0.13 -0.44 0.04 1.25 0.86 0.00 0.00 177.93 179.51 1zye h LEU 80 N -0.28 0.02 -1.61 2.43 5.85 -1.03 -1.45 115.31 119.24 1zye h LEU 80 Ca 0.15 0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.04 1zye h LEU 80 Cb 0.57 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1zye h LEU 80 CO -0.66 0.04 0.49 0.00 -0.34 0.00 0.00 178.44 177.97 1zye h ALA 81 N 1.12 2.14 -0.12 1.25 0.00 -0.97 0.14 119.26 122.82 1zye h ALA 81 Ca 0.08 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1zye h ALA 81 Cb 0.06 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1zye h ALA 81 CO -0.10 -0.34 -0.55 2.35 0.00 0.00 0.00 179.25 180.62 1zye h TRP 82 N 0.38 0.78 -0.98 0.00 7.01 -0.27 -2.30 115.95 120.57 1zye h TRP 82 Ca 0.36 -0.34 0.09 0.00 2.11 0.00 0.00 58.89 61.10 1zye h TRP 82 Cb 0.85 -0.12 -0.07 0.00 -2.10 0.00 0.00 29.16 27.72 1zye h TRP 82 CO -0.00 1.13 0.63 0.82 -2.79 0.00 0.00 178.44 178.23 1zye h ILE 83 N 0.22 1.02 0.00 2.65 2.04 -0.72 -1.40 117.51 121.31 1zye h ILE 83 Ca -0.04 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1zye h ILE 83 Cb 1.19 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1zye h ILE 83 CO 0.11 0.20 0.00 0.59 0.00 0.00 0.00 178.15 179.05 1zye n ASN 84 N -4.54 0.00 -4.71 1.72 3.02 0.43 -2.96 115.26 108.22 1zye n ASN 84 Ca 0.16 -1.19 -0.38 0.00 -0.03 0.00 0.00 54.58 53.15 1zye n ASN 84 Cb 0.25 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.35 1zye n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1zye s THR 85 N -2.00 5.22 0.26 3.41 2.01 -0.58 -4.98 115.64 118.98 1zye s THR 85 Ca 0.35 0.79 -0.30 0.00 0.31 0.00 0.00 61.69 62.84 1zye s THR 85 Cb 0.16 -3.75 -0.10 0.00 0.01 0.00 0.00 72.50 68.82 1zye s THR 85 CO 0.27 0.32 1.49 -2.84 -0.69 0.00 0.00 174.62 173.17 1zye s PRO 86 N 0.81 4.22 0.34 4.92 0.02 -1.26 -1.53 135.00 142.52 1zye s PRO 86 Ca 0.22 2.39 0.11 0.00 0.02 0.00 0.00 61.00 63.74 1zye s PRO 86 Cb -0.14 -3.08 1.04 0.00 0.02 0.00 0.00 34.50 32.34 1zye s PRO 86 CO 0.08 -0.49 1.59 0.00 -0.33 0.00 0.00 177.00 177.85 1zye h ARG 87 N 5.00 0.05 -0.96 5.54 3.08 -1.84 -0.07 114.38 125.19 1zye h ARG 87 Ca -0.46 -0.00 0.29 0.00 0.07 0.00 0.00 59.98 59.88 1zye h ARG 87 Cb 1.22 -0.01 -0.18 0.00 0.08 0.00 0.00 29.97 31.08 1zye h ARG 87 CO 0.78 0.04 0.11 1.17 -1.07 0.00 0.00 179.97 181.00 1zye n LYS 88 N -5.32 -0.07 -1.75 0.04 4.81 -1.26 -1.16 118.16 113.45 1zye n LYS 88 Ca 0.30 1.42 -0.30 0.00 -0.87 0.00 0.00 58.31 58.86 1zye n LYS 88 Cb 1.01 -2.30 0.05 0.00 0.02 0.00 0.00 35.03 33.80 1zye n LYS 88 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1zye n ASN 89 N -5.38 6.26 0.00 3.14 3.02 -0.07 -4.88 115.26 117.35 1zye n ASN 89 Ca 0.25 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 51.03 1zye n ASN 89 Cb 0.83 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1zye n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zye n GLY 90 N -0.78 2.11 0.00 7.41 0.00 -0.31 -4.93 105.19 108.69 1zye n GLY 90 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1zye n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zye n GLY 91 N -2.00 -2.74 0.06 -0.02 0.00 -1.03 -4.90 105.19 94.56 1zye n GLY 91 Ca 0.00 -1.37 -0.06 0.00 0.00 0.00 0.00 46.02 44.59 1zye n GLY 91 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1zye n LEU 92 N 0.00 0.00 0.00 0.99 4.77 -0.91 -4.30 117.00 117.56 1zye n LEU 92 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1zye n LEU 92 Cb 0.00 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1zye n LEU 92 CO 0.00 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1zye n GLY 93 N 2.15 -0.58 3.46 -0.72 0.00 -0.58 -4.68 105.19 104.25 1zye n GLY 93 Ca -0.20 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 1zye n GLY 93 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1zye n HIS 94 N -1.37 -0.27 -4.28 1.61 -0.00 -1.26 -4.68 115.22 104.97 1zye n HIS 94 Ca 0.00 0.66 -0.22 0.00 -0.00 0.00 0.00 57.72 58.16 1zye n HIS 94 Cb 0.00 -2.02 -0.16 0.00 -0.00 0.00 0.00 29.99 27.80 1zye n HIS 94 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1zye s MET 95 N -1.50 1.13 0.00 1.57 0.00 -1.26 -5.02 119.30 114.22 1zye s MET 95 Ca 0.62 -0.21 0.24 0.00 0.00 0.00 0.00 55.69 56.35 1zye s MET 95 Cb -0.65 -1.05 0.34 0.00 0.00 0.00 0.00 34.83 33.47 1zye s MET 95 CO 0.58 -0.06 1.30 0.09 0.00 0.00 0.00 175.02 176.93 1zye n ASN 96 N 4.03 0.95 -4.66 1.11 3.02 -1.26 -4.90 115.26 113.54 1zye n ASN 96 Ca -0.23 -0.75 -0.27 0.00 -0.03 0.00 0.00 54.58 53.30 1zye n ASN 96 Cb 0.51 0.41 -0.08 0.00 -0.61 0.00 0.00 39.78 40.02 1zye n ASN 96 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1zye s ILE 97 N -2.80 3.75 0.22 2.41 -4.36 -1.26 -4.96 121.20 114.20 1zye s ILE 97 Ca 0.15 -1.37 -0.30 0.00 -0.26 0.00 0.00 60.65 58.87 1zye s ILE 97 Cb 0.18 -2.87 -0.09 0.00 1.25 0.00 0.00 42.46 40.93 1zye s ILE 97 CO 0.67 -0.08 1.30 0.00 0.24 0.00 0.00 174.94 177.07 1zye s ALA 98 N -1.66 3.51 -0.39 2.27 0.00 -1.21 -4.89 121.76 119.39 1zye s ALA 98 Ca 0.27 1.12 -0.09 0.00 0.00 0.00 0.00 51.96 53.26 1zye s ALA 98 Cb -0.10 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.60 1zye s ALA 98 CO 0.18 -0.53 0.21 -0.51 0.00 0.00 0.00 175.76 175.11 1zye s LEU 99 N -0.46 4.81 -0.01 0.00 1.02 -0.97 -1.68 118.68 121.39 1zye s LEU 99 Ca 0.55 -1.24 -0.20 0.00 0.02 0.00 0.00 54.13 53.26 1zye s LEU 99 Cb -0.37 -1.98 -0.05 0.00 0.02 0.00 0.00 46.19 43.81 1zye s LEU 99 CO 0.41 -0.44 0.57 -0.22 0.02 0.00 0.00 176.35 176.69 1zye s LEU 100 N 1.47 4.42 -0.21 1.79 2.96 0.10 0.06 118.68 129.26 1zye s LEU 100 Ca 0.02 1.13 -0.17 0.00 -0.22 0.00 0.00 54.13 54.89 1zye s LEU 100 Cb -0.21 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.56 1zye s LEU 100 CO 0.04 0.12 0.45 -0.55 -1.32 0.00 0.00 176.35 175.09 1zye s SER 101 N -0.24 6.47 -0.80 3.68 0.15 -0.14 -2.92 113.70 119.90 1zye s SER 101 Ca 0.30 0.56 0.02 0.00 0.70 0.00 0.00 55.95 57.53 1zye s SER 101 Cb -0.18 -2.26 0.32 0.00 -1.71 0.00 0.00 66.02 62.20 1zye s SER 101 CO 0.17 -0.15 1.32 -0.67 1.20 0.00 0.00 173.24 175.11 1zye n ASP 102 N 4.77 5.73 -0.20 5.45 2.03 -0.20 -4.32 116.55 129.81 1zye n ASP 102 Ca -0.07 -3.66 0.01 0.00 0.52 0.00 0.00 54.79 51.60 1zye n ASP 102 Cb 0.51 -0.86 0.26 0.00 -0.72 0.00 0.00 41.12 40.31 1zye n ASP 102 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1zye h LEU 103 N 3.71 0.83 0.00 -2.67 6.46 -1.69 -1.09 115.31 120.86 1zye h LEU 103 Ca 0.30 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1zye h LEU 103 Cb 0.45 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1zye h LEU 103 CO 1.00 0.60 0.00 0.35 -0.62 0.00 0.00 178.44 179.77 1zye n THR 104 N -4.43 0.03 -0.69 1.05 -2.24 -1.26 -4.88 114.28 101.86 1zye n THR 104 Ca 0.08 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1zye n THR 104 Cb 0.04 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1zye n THR 104 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1zye n LYS 105 N -1.07 -0.51 -0.07 -0.78 5.02 -0.41 -4.84 118.16 115.49 1zye n LYS 105 Ca 0.19 0.13 -0.12 0.00 -2.02 0.00 0.00 58.31 56.50 1zye n LYS 105 Cb 0.13 -4.40 0.01 0.00 -0.02 0.00 0.00 35.03 30.75 1zye n LYS 105 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1zye h GLN 106 N 0.30 0.80 -0.11 1.97 1.08 -1.90 -1.40 115.11 115.86 1zye h GLN 106 Ca 0.00 -0.44 -0.04 0.00 -1.45 0.00 0.00 58.65 56.72 1zye h GLN 106 Cb 0.26 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1zye h GLN 106 CO 0.00 1.08 -0.08 0.82 -0.95 0.00 0.00 178.83 179.70 1zye h ILE 107 N 0.65 1.34 -0.57 2.54 2.04 -1.88 -0.99 117.51 120.63 1zye h ILE 107 Ca 0.04 -1.17 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 1zye h ILE 107 Cb 1.01 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.93 1zye h ILE 107 CO 0.10 0.33 0.26 0.28 0.00 0.00 0.00 178.15 179.12 1zye h SER 108 N -0.13 0.72 0.03 1.72 0.02 -1.91 -1.48 113.55 112.53 1zye h SER 108 Ca 0.02 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1zye h SER 108 Cb 0.56 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1zye h SER 108 CO 0.02 0.62 -0.02 -0.09 -1.14 0.00 0.00 176.83 176.23 1zye h ARG 109 N 0.80 -0.04 -0.13 3.45 2.43 -1.20 0.54 114.38 120.23 1zye h ARG 109 Ca 0.20 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1zye h ARG 109 Cb 0.10 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1zye h ARG 109 CO -0.03 0.03 -0.06 -0.44 -1.51 0.00 0.00 179.97 177.97 1zye h ASP 110 N -0.11 0.17 0.00 -3.80 3.32 -0.21 0.59 116.42 116.39 1zye h ASP 110 Ca -0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1zye h ASP 110 Cb 0.09 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1zye h ASP 110 CO 0.01 0.26 -0.01 -1.22 -1.72 0.00 0.00 179.24 176.55 1zye n TYR 111 N -4.37 0.00 -2.93 4.55 4.02 -0.67 -4.52 117.16 113.24 1zye n TYR 111 Ca -0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.72 1zye n TYR 111 Cb 0.20 -0.01 0.03 0.00 -0.02 0.00 0.00 39.34 39.54 1zye n TYR 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1zye n GLY 112 N 1.17 -0.16 0.27 2.72 0.00 0.20 -4.86 105.19 104.53 1zye n GLY 112 Ca 0.19 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.14 1zye n GLY 112 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1zye n VAL 113 N -4.20 0.51 -2.99 1.61 0.24 0.13 -5.00 118.33 108.63 1zye n VAL 113 Ca -0.06 -0.76 -0.43 0.00 -2.04 0.00 0.00 64.34 61.06 1zye n VAL 113 Cb 0.58 0.80 -0.06 0.00 -1.47 0.00 0.00 33.84 33.69 1zye n VAL 113 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1zye s LEU 114 N -0.74 4.30 -0.45 1.34 2.96 -0.92 -0.99 118.68 124.18 1zye s LEU 114 Ca 0.09 -0.13 -0.27 0.00 -0.22 0.00 0.00 54.13 53.60 1zye s LEU 114 Cb 0.05 -2.92 -0.03 0.00 0.50 0.00 0.00 46.19 43.79 1zye s LEU 114 CO 0.07 -0.88 2.00 -0.76 -1.32 0.00 0.00 176.35 175.46 1zye s LEU 115 N 3.18 3.40 0.31 -0.68 1.02 -0.35 -4.82 118.68 120.75 1zye s LEU 115 Ca 0.28 0.97 0.01 0.00 0.02 0.00 0.00 54.13 55.41 1zye s LEU 115 Cb -0.13 -2.94 0.52 0.00 0.02 0.00 0.00 46.19 43.66 1zye s LEU 115 CO 0.22 -2.23 1.90 -0.33 0.02 0.00 0.00 176.35 175.93 1zye h GLU 116 N 15.32 0.78 0.00 1.70 4.39 -1.94 -1.64 114.58 133.20 1zye h GLU 116 Ca -0.30 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1zye h GLU 116 Cb 1.20 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1zye h GLU 116 CO 1.12 0.65 0.00 0.41 -1.16 0.00 0.00 179.01 180.02 1zye n GLY 117 N -1.08 -3.52 0.17 -3.84 0.00 -1.26 -3.14 105.19 92.53 1zye n GLY 117 Ca 0.04 0.63 0.13 0.00 0.00 0.00 0.00 46.02 46.83 1zye n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zye h PRO 118 N 0.00 0.00 -1.52 1.61 0.13 -1.99 -3.47 132.00 126.76 1zye h PRO 118 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1zye h PRO 118 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1zye h PRO 118 CO 0.00 0.00 -0.00 0.41 -0.23 0.00 0.00 178.00 178.18 1zye n GLY 119 N 0.91 0.69 3.27 1.56 0.00 -0.62 -5.09 105.19 105.90 1zye n GLY 119 Ca 0.04 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 1zye n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1zye s LEU 120 N -1.52 1.00 0.47 0.99 2.34 -1.17 -4.94 118.68 115.84 1zye s LEU 120 Ca 0.00 -0.58 -0.09 0.00 0.06 0.00 0.00 54.13 53.53 1zye s LEU 120 Cb -0.00 1.34 -0.05 0.00 -0.56 0.00 0.00 46.19 46.92 1zye s LEU 120 CO 0.00 -0.80 0.82 0.00 -1.06 0.00 0.00 176.35 175.31 1zye s ALA 121 N -3.86 3.32 0.68 1.48 0.00 -1.26 -1.20 121.76 120.92 1zye s ALA 121 Ca 0.06 -0.30 -0.08 0.00 0.00 0.00 0.00 51.96 51.65 1zye s ALA 121 Cb 0.03 -2.72 0.04 0.00 0.00 0.00 0.00 23.12 20.47 1zye s ALA 121 CO -0.09 -0.26 1.01 -0.51 0.00 0.00 0.00 175.76 175.91 1zye s LEU 122 N -4.42 2.92 -1.31 0.00 1.43 -0.16 -3.94 118.68 113.20 1zye s LEU 122 Ca 0.50 0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 54.10 1zye s LEU 122 Cb -0.10 -3.36 0.08 0.00 0.03 0.00 0.00 46.19 42.84 1zye s LEU 122 CO 0.40 -1.44 1.77 0.54 0.23 0.00 0.00 176.35 177.85 1zye n ARG 123 N -2.88 3.19 -3.99 1.70 1.74 -0.91 -4.36 116.66 111.15 1zye n ARG 123 Ca 0.07 -3.27 -0.25 0.00 -0.77 0.00 0.00 57.85 53.63 1zye n ARG 123 Cb 0.59 -3.40 -0.03 0.00 -1.02 0.00 0.00 32.46 28.60 1zye n ARG 123 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1zye s GLY 124 N 3.82 1.58 -0.08 -0.13 0.00 -1.22 -1.12 107.32 110.18 1zye s GLY 124 Ca 0.51 -1.14 -0.06 0.00 0.00 0.00 0.00 44.72 44.03 1zye s GLY 124 CO 0.05 -1.15 0.21 -2.27 0.00 0.00 0.00 173.10 169.94 1zye s LEU 125 N -3.41 0.93 -0.02 0.66 0.20 -0.50 0.87 118.68 117.41 1zye s LEU 125 Ca 0.34 0.43 0.05 0.00 0.69 0.00 0.00 54.13 55.64 1zye s LEU 125 Cb -0.10 0.68 -0.01 0.00 -0.43 0.00 0.00 46.19 46.32 1zye s LEU 125 CO 0.27 -0.11 -0.17 -0.36 -0.29 0.00 0.00 176.35 175.69 1zye s PHE 126 N 0.56 1.58 -0.35 5.38 0.08 0.17 -1.24 117.98 124.16 1zye s PHE 126 Ca -0.04 -0.34 -0.10 0.00 0.12 0.00 0.00 56.93 56.58 1zye s PHE 126 Cb -0.05 -1.03 0.02 0.00 -0.57 0.00 0.00 43.02 41.38 1zye s PHE 126 CO -0.03 -0.06 0.17 0.42 -0.10 0.00 0.00 175.22 175.62 1zye s ILE 127 N -0.30 4.46 -0.17 0.64 1.01 0.38 -1.68 121.20 125.55 1zye s ILE 127 Ca 0.04 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 1zye s ILE 127 Cb -0.08 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 1zye s ILE 127 CO -0.00 -0.11 -0.05 -0.63 0.00 0.00 0.00 174.94 174.15 1zye s ILE 128 N 1.55 3.67 0.68 2.92 1.01 0.27 -0.54 121.20 130.76 1zye s ILE 128 Ca 0.03 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 1zye s ILE 128 Cb -0.18 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.68 1zye s ILE 128 CO 0.06 0.48 1.06 1.51 0.00 0.00 0.00 174.94 178.04 1zye s ASP 129 N 0.63 5.52 0.63 3.58 1.47 0.87 -1.25 116.67 128.12 1zye s ASP 129 Ca -0.03 1.07 0.18 0.00 1.18 0.00 0.00 52.55 54.95 1zye s ASP 129 Cb -0.15 -1.92 0.65 0.00 -0.34 0.00 0.00 42.92 41.16 1zye s ASP 129 CO 0.02 -1.26 1.24 1.55 0.68 0.00 0.00 175.17 177.40 1zye h PRO 130 N -0.55 0.00 -0.13 2.11 0.13 -1.78 0.72 132.00 132.51 1zye h PRO 130 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1zye h PRO 130 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1zye h PRO 130 CO 0.63 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.49 1zye n ASN 131 N -3.00 2.01 -0.25 1.44 4.13 -1.26 -0.50 115.26 117.83 1zye n ASN 131 Ca 0.14 -1.71 -0.02 0.00 1.68 0.00 0.00 54.58 54.67 1zye n ASN 131 Cb 1.29 -0.08 -0.00 0.00 -1.54 0.00 0.00 39.78 39.45 1zye n ASN 131 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1zye n GLY 132 N 1.22 0.31 3.67 7.41 0.00 0.25 -4.98 105.19 113.07 1zye n GLY 132 Ca 0.17 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 1zye n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zye s VAL 133 N -2.11 4.65 -0.15 1.61 1.01 -1.22 -0.23 120.40 123.96 1zye s VAL 133 Ca 0.00 -0.10 -0.28 0.00 0.00 0.00 0.00 61.98 61.60 1zye s VAL 133 Cb 0.00 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1zye s VAL 133 CO 0.00 0.54 0.94 0.27 0.00 0.00 0.00 175.10 176.84 1zye s ILE 134 N -0.26 4.81 -0.05 2.22 -5.25 -0.56 -0.09 121.20 122.03 1zye s ILE 134 Ca 0.07 1.86 0.17 0.00 -0.99 0.00 0.00 60.65 61.76 1zye s ILE 134 Cb -0.12 -4.24 -0.25 0.00 2.95 0.00 0.00 42.46 40.80 1zye s ILE 134 CO 0.02 -0.02 0.32 0.29 -1.79 0.00 0.00 174.94 173.76 1zye n LYS 135 N 5.32 0.68 -3.74 0.37 4.76 0.29 -2.41 118.16 123.42 1zye n LYS 135 Ca 0.07 -0.13 -0.13 0.00 -2.87 0.00 0.00 58.31 55.25 1zye n LYS 135 Cb 0.48 -1.41 -0.10 0.00 -1.84 0.00 0.00 35.03 32.16 1zye n LYS 135 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1zye s HIS 136 N -3.05 -0.41 -0.00 2.13 5.04 -1.20 -4.97 115.29 112.83 1zye s HIS 136 Ca -0.07 0.99 0.02 0.00 -1.54 0.00 0.00 55.06 54.46 1zye s HIS 136 Cb 0.10 0.14 -0.01 0.00 0.04 0.00 0.00 32.58 32.85 1zye s HIS 136 CO 0.70 -0.21 -0.07 -0.48 -2.34 0.00 0.00 174.74 172.34 1zye s LEU 137 N 0.14 2.04 0.02 8.88 0.05 -1.26 -0.47 118.68 128.08 1zye s LEU 137 Ca -0.01 -0.17 0.07 0.00 0.05 0.00 0.00 54.13 54.08 1zye s LEU 137 Cb -0.03 -0.35 -0.03 0.00 -2.05 0.00 0.00 46.19 43.73 1zye s LEU 137 CO 0.01 0.06 -0.20 -0.44 -0.55 0.00 0.00 176.35 175.23 1zye s SER 138 N -0.30 3.63 -0.08 1.48 0.01 -0.37 -4.99 113.70 113.08 1zye s SER 138 Ca 0.02 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 56.83 1zye s SER 138 Cb -0.03 -0.56 0.04 0.00 0.21 0.00 0.00 66.02 65.67 1zye s SER 138 CO -0.00 0.28 0.06 -0.69 0.41 0.00 0.00 173.24 173.30 1zye s VAL 139 N -0.83 -0.03 -0.04 3.43 1.01 -1.26 -1.41 120.40 121.26 1zye s VAL 139 Ca 0.13 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 1zye s VAL 139 Cb -0.10 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1zye s VAL 139 CO 0.03 0.06 0.09 0.20 0.00 0.00 0.00 175.10 175.47 1zye s ASN 140 N 2.13 5.79 0.87 3.32 0.01 -0.27 -4.99 114.94 121.80 1zye s ASN 140 Ca 0.04 0.22 -0.13 0.00 -0.71 0.00 0.00 52.86 52.28 1zye s ASN 140 Cb -0.13 -1.72 0.04 0.00 0.41 0.00 0.00 41.25 39.85 1zye s ASN 140 CO -0.05 0.32 0.69 -0.67 -1.51 0.00 0.00 177.10 175.88 1zye n ASP 141 N 1.48 -0.93 -0.30 -1.22 2.03 -1.26 -2.15 116.55 114.20 1zye n ASP 141 Ca -0.15 0.45 0.12 0.00 0.52 0.00 0.00 54.79 55.73 1zye n ASP 141 Cb 0.53 -1.31 0.28 0.00 -0.72 0.00 0.00 41.12 39.90 1zye n ASP 141 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1zye h LEU 142 N -1.21 -0.08 -2.24 -2.67 3.38 -1.97 -3.08 115.31 107.45 1zye h LEU 142 Ca -0.44 0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1zye h LEU 142 Cb 1.30 0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1zye h LEU 142 CO 0.39 -0.18 0.00 -0.81 0.09 0.00 0.00 178.44 177.93 1zye n PRO 143 N -5.26 2.92 -3.83 1.13 -0.04 -1.26 -4.88 135.00 123.77 1zye n PRO 143 Ca 0.21 -1.61 -0.26 0.00 -0.04 0.00 0.00 63.50 61.79 1zye n PRO 143 Cb 0.67 -1.84 -0.17 0.00 -0.04 0.00 0.00 33.50 32.12 1zye n PRO 143 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1zye s VAL 144 N -1.87 0.77 0.51 0.52 1.01 -1.16 -5.08 120.40 115.10 1zye s VAL 144 Ca 0.28 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 1zye s VAL 144 Cb 0.21 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.56 1zye s VAL 144 CO 0.09 0.16 1.18 -0.83 0.00 0.00 0.00 175.10 175.71 1zye s GLY 145 N 1.79 2.75 0.66 4.51 0.00 -1.26 -4.87 107.32 110.89 1zye s GLY 145 Ca 0.03 0.96 -0.12 0.00 0.00 0.00 0.00 44.72 45.59 1zye s GLY 145 CO -0.07 1.39 1.05 0.50 0.00 0.00 0.00 173.10 175.97 1zye s ARG 146 N -2.96 3.17 -0.34 2.90 0.52 -1.26 -5.07 118.95 115.92 1zye s ARG 146 Ca 0.69 0.95 -0.22 0.00 -0.52 0.00 0.00 55.73 56.63 1zye s ARG 146 Cb -0.29 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.16 1zye s ARG 146 CO 0.34 -0.92 0.71 0.45 0.02 0.00 0.00 175.30 175.90 1zye s SER 147 N -3.68 6.53 0.38 0.23 0.15 -1.26 -4.96 113.70 111.09 1zye s SER 147 Ca 0.58 0.38 0.08 0.00 0.70 0.00 0.00 55.95 57.70 1zye s SER 147 Cb -0.13 -2.36 0.78 0.00 -1.71 0.00 0.00 66.02 62.59 1zye s SER 147 CO 0.51 -0.61 1.94 0.58 1.20 0.00 0.00 173.24 176.86 1zye h VAL 148 N 5.65 1.16 -0.05 4.45 2.07 -1.94 -2.13 116.25 125.46 1zye h VAL 148 Ca -0.26 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1zye h VAL 148 Cb 1.10 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1zye h VAL 148 CO 0.86 0.21 0.02 -0.33 0.02 0.00 0.00 177.57 178.35 1zye h GLU 149 N 0.35 0.08 -0.45 1.57 4.39 -1.96 -1.63 114.58 116.92 1zye h GLU 149 Ca 0.08 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.78 1zye h GLU 149 Cb 0.26 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1zye h GLU 149 CO 0.01 0.25 0.27 1.49 -1.16 0.00 0.00 179.01 179.87 1zye h GLU 150 N -0.11 0.52 -0.61 2.33 4.57 -1.89 0.10 114.58 119.49 1zye h GLU 150 Ca 0.02 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1zye h GLU 150 Cb 0.20 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 1zye h GLU 150 CO -0.00 0.35 0.38 1.15 -1.18 0.00 0.00 179.01 179.70 1zye h THR 151 N 0.54 1.07 0.48 0.32 2.02 -1.34 -1.73 112.91 114.27 1zye h THR 151 Ca 0.18 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1zye h THR 151 Cb 0.01 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1zye h THR 151 CO -0.08 0.14 -0.31 0.25 0.37 0.00 0.00 175.52 175.88 1zye h LEU 152 N 0.74 -0.80 -0.90 2.58 5.85 -0.68 -1.16 115.31 120.95 1zye h LEU 152 Ca 0.25 0.05 0.24 0.00 0.84 0.00 0.00 57.88 59.26 1zye h LEU 152 Cb 0.02 0.24 -0.16 0.00 0.37 0.00 0.00 40.66 41.13 1zye h LEU 152 CO -0.10 -0.49 0.11 -0.09 -0.34 0.00 0.00 178.44 177.53 1zye h ARG 153 N -0.77 0.09 -0.59 1.25 2.43 -0.55 -0.39 114.38 115.86 1zye h ARG 153 Ca -0.05 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 1zye h ARG 153 Cb 0.63 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1zye h ARG 153 CO 0.04 0.06 0.02 -0.07 -1.51 0.00 0.00 179.97 178.51 1zye h LEU 154 N 0.09 0.98 0.35 3.80 3.38 -0.79 -0.13 115.31 122.99 1zye h LEU 154 Ca 0.55 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1zye h LEU 154 Cb 1.11 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1zye h LEU 154 CO -0.77 1.03 -0.17 0.58 0.09 0.00 0.00 178.44 179.19 1zye h VAL 155 N 0.93 0.67 -0.22 1.22 2.07 0.15 -2.32 116.25 118.76 1zye h VAL 155 Ca 0.17 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1zye h VAL 155 Cb 0.52 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 1zye h VAL 155 CO 0.03 0.02 -0.29 0.11 0.02 0.00 0.00 177.57 177.46 1zye h LYS 156 N -0.53 -0.30 -0.90 1.57 1.57 -1.25 -2.23 116.57 114.50 1zye h LYS 156 Ca -0.05 0.02 0.21 0.00 -1.87 0.00 0.00 60.65 58.96 1zye h LYS 156 Cb 0.40 0.07 -0.12 0.00 0.08 0.00 0.00 32.23 32.65 1zye h LYS 156 CO 0.08 -0.20 0.42 0.00 -0.57 0.00 0.00 179.45 179.18 1zye h ALA 157 N 0.64 1.44 0.00 3.86 0.00 -0.89 0.14 119.26 124.45 1zye h ALA 157 Ca 0.13 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1zye h ALA 157 Cb 0.51 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1zye h ALA 157 CO -0.40 -0.30 -0.35 0.74 0.00 0.00 0.00 179.25 178.95 1zye h PHE 158 N 0.45 0.00 -0.03 0.00 0.04 -0.84 -2.48 116.94 114.07 1zye h PHE 158 Ca 0.55 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.26 1zye h PHE 158 Cb 1.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.17 1zye h PHE 158 CO -0.12 0.35 -0.22 1.96 -0.60 0.00 0.00 178.31 179.68 1zye h GLN 159 N 0.00 0.21 -0.16 1.51 4.20 -0.42 -2.92 115.11 117.53 1zye h GLN 159 Ca -0.00 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.54 1zye h GLN 159 Cb 0.77 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.57 1zye h GLN 159 CO 0.05 0.85 -0.12 0.35 -0.67 0.00 0.00 178.83 179.29 1zye h PHE 160 N -0.38 -0.37 0.00 2.96 3.04 -1.06 -0.27 116.94 120.86 1zye h PHE 160 Ca -0.02 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1zye h PHE 160 Cb 0.90 0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.59 1zye h PHE 160 CO 0.15 -0.08 0.02 1.55 -2.02 0.00 0.00 178.31 177.93 1zye n VAL 161 N -3.38 1.63 -0.54 1.41 3.14 -0.94 -0.56 118.33 119.09 1zye n VAL 161 Ca 0.00 0.57 0.09 0.00 -2.96 0.00 0.00 64.34 62.04 1zye n VAL 161 Cb 0.06 -1.57 0.29 0.00 -1.06 0.00 0.00 33.84 31.55 1zye n VAL 161 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1zye n GLU 162 N -1.71 3.30 0.00 1.45 2.13 -0.16 -5.09 120.64 120.55 1zye n GLU 162 Ca -0.00 -2.66 0.00 0.00 0.66 0.00 0.00 57.16 55.16 1zye n GLU 162 Cb 0.03 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.04 1zye n GLU 162 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72