#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 2.10 -1.30 0.55 0.00 -1.26 -4.99 121.76 116.87 1zye s ALA 3 Ca 0.00 -1.75 -0.12 0.00 0.00 0.00 0.00 51.96 50.09 1zye s ALA 3 Cb 0.00 0.99 0.13 0.00 0.00 0.00 0.00 23.12 24.24 1zye s ALA 3 CO 0.00 -0.44 1.81 0.28 0.00 0.00 0.00 175.76 177.41 1zye n VAL 4 N -0.62 4.12 0.00 0.00 0.31 -1.26 -2.98 118.33 117.91 1zye n VAL 4 Ca -0.01 -4.20 0.00 0.00 -0.01 0.00 0.00 64.34 60.12 1zye n VAL 4 Cb 0.66 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 1zye n VAL 4 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1zye n THR 5 N 4.32 0.00 -2.94 2.52 -2.24 -1.14 -4.92 114.28 109.88 1zye n THR 5 Ca 0.42 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 62.01 1zye n THR 5 Cb 0.39 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.64 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 2.79 0.34 -0.78 -0.21 -1.16 -4.82 119.66 115.82 1zye s GLN 6 Ca 0.00 -0.97 -0.27 0.00 0.02 0.00 0.00 55.36 54.14 1zye s GLN 6 Cb 0.00 -2.65 -0.09 0.00 1.00 0.00 0.00 33.01 31.27 1zye s GLN 6 CO 0.00 -0.38 1.07 -1.01 -2.12 0.00 0.00 175.29 172.85 1zye s HIS 7 N -2.49 3.43 0.30 0.91 3.76 -1.26 -1.62 115.29 118.32 1zye s HIS 7 Ca 0.54 1.68 -0.29 0.00 -0.15 0.00 0.00 55.06 56.84 1zye s HIS 7 Cb -0.10 -3.20 -0.10 0.00 1.11 0.00 0.00 32.58 30.29 1zye s HIS 7 CO 0.35 -0.57 1.28 0.00 -0.85 0.00 0.00 174.74 174.96 1zye s ALA 8 N -1.41 3.50 0.46 -1.40 0.00 0.13 -4.81 121.76 118.23 1zye s ALA 8 Ca 0.51 1.18 -0.23 0.00 0.00 0.00 0.00 51.96 53.43 1zye s ALA 8 Cb -0.27 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.29 1zye s ALA 8 CO 0.34 -0.55 0.92 -2.30 0.00 0.00 0.00 175.76 174.16 1zye n PRO 9 N 1.25 1.13 -1.68 0.00 -0.02 -1.26 -4.93 135.00 129.49 1zye n PRO 9 Ca 0.01 0.41 -0.38 0.00 -2.02 0.00 0.00 63.50 61.52 1zye n PRO 9 Cb 0.42 -1.98 0.05 0.00 -0.02 0.00 0.00 33.50 31.97 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 -0.83 1.57 -3.76 6.00 9.36 -1.26 -4.95 117.16 123.29 1zye n TYR 10 Ca 0.10 0.44 -0.13 0.00 3.32 0.00 0.00 57.90 61.64 1zye n TYR 10 Cb 0.41 -2.24 -0.11 0.00 -0.63 0.00 0.00 39.34 36.76 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 -1.40 -0.34 0.08 2.98 -0.12 -1.26 -4.99 117.98 112.93 1zye s PHE 11 Ca 0.76 0.82 0.06 0.00 -0.05 0.00 0.00 56.93 58.51 1zye s PHE 11 Cb -0.42 0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.05 1zye s PHE 11 CO 0.46 -0.17 -0.15 0.21 -0.05 0.00 0.00 175.22 175.52 1zye s LYS 12 N 0.33 0.89 0.00 1.99 2.20 -1.26 -1.30 119.74 122.58 1zye s LYS 12 Ca -0.01 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.57 1zye s LYS 12 Cb -0.03 -0.90 0.00 0.00 -1.51 0.00 0.00 37.83 35.38 1zye s LYS 12 CO -0.01 0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.59 1zye n GLY 13 N 1.12 1.03 3.69 5.54 0.00 -0.80 -5.01 105.19 110.76 1zye n GLY 13 Ca -0.20 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 4.41 0.28 2.61 2.01 -1.26 -2.12 115.64 119.57 1zye s THR 14 Ca 0.00 1.72 0.11 0.00 0.31 0.00 0.00 61.69 63.83 1zye s THR 14 Cb 0.00 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 1zye s THR 14 CO 0.00 0.01 -0.15 0.00 -0.69 0.00 0.00 174.62 173.79 1zye s ALA 15 N 2.05 2.85 -0.65 7.40 0.00 -0.24 -0.91 121.76 132.25 1zye s ALA 15 Ca 0.54 -1.82 -0.19 0.00 0.00 0.00 0.00 51.96 50.49 1zye s ALA 15 Cb -0.23 -0.39 0.11 0.00 0.00 0.00 0.00 23.12 22.60 1zye s ALA 15 CO 0.21 0.28 0.81 0.08 0.00 0.00 0.00 175.76 177.14 1zye s VAL 16 N -2.45 4.74 -0.08 0.00 1.01 0.36 -0.83 120.40 123.16 1zye s VAL 16 Ca 0.30 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 1zye s VAL 16 Cb -0.05 -4.56 -0.01 0.00 0.00 0.00 0.00 36.38 31.76 1zye s VAL 16 CO 0.16 -1.23 0.04 0.58 0.00 0.00 0.00 175.10 174.65 1zye h VAL 17 N 5.87 0.00 0.00 2.92 2.07 -1.03 -2.79 116.25 123.29 1zye h VAL 17 Ca -0.23 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1zye h VAL 17 Cb 1.07 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1zye h VAL 17 CO 1.10 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 177.49 1zye n SER 18 N -4.44 0.00 -0.89 0.57 7.64 -1.26 -4.67 113.62 110.57 1zye n SER 18 Ca -0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 1zye n SER 18 Cb 0.01 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.47 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 4.28 0.98 3.41 0.23 0.00 -1.26 -4.91 105.19 107.91 1zye n GLY 19 Ca 0.00 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.79 1.48 0.17 1.61 2.02 -1.26 -5.08 118.70 115.86 1zye s GLU 20 Ca 0.34 -1.53 -0.30 0.00 0.02 0.00 0.00 54.97 53.50 1zye s GLU 20 Cb 0.21 -1.69 -0.07 0.00 0.10 0.00 0.00 34.13 32.67 1zye s GLU 20 CO 0.30 0.35 1.02 -0.06 0.02 0.00 0.00 175.26 176.90 1zye s PHE 21 N -1.90 3.74 -0.15 1.61 0.08 -1.26 -0.38 117.98 119.72 1zye s PHE 21 Ca 0.21 1.74 -0.11 0.00 0.12 0.00 0.00 56.93 58.88 1zye s PHE 21 Cb -0.07 -3.14 0.04 0.00 -0.57 0.00 0.00 43.02 39.28 1zye s PHE 21 CO 0.10 -0.12 0.38 0.21 -0.10 0.00 0.00 175.22 175.68 1zye s LYS 22 N -0.48 0.41 -0.06 0.44 2.20 -0.01 -4.88 119.74 117.36 1zye s LYS 22 Ca 0.47 0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 56.38 1zye s LYS 22 Cb -0.27 0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.13 1zye s LYS 22 CO 0.33 -0.09 1.32 -1.21 -0.36 0.00 0.00 175.35 175.34 1zye s GLU 23 N 0.64 4.29 0.02 4.03 0.41 -1.26 -1.08 118.70 125.74 1zye s GLU 23 Ca -0.04 1.81 0.04 0.00 -0.41 0.00 0.00 54.97 56.38 1zye s GLU 23 Cb -0.05 -3.65 -0.02 0.00 -1.78 0.00 0.00 34.13 28.64 1zye s GLU 23 CO -0.04 -0.59 -0.13 0.96 -0.49 0.00 0.00 175.26 174.97 1zye s ILE 24 N 2.74 1.06 0.29 -1.63 -4.36 -0.90 -4.98 121.20 113.41 1zye s ILE 24 Ca 0.60 -0.84 0.02 0.00 -0.26 0.00 0.00 60.65 60.16 1zye s ILE 24 Cb -0.27 -0.94 -0.05 0.00 1.25 0.00 0.00 42.46 42.46 1zye s ILE 24 CO 0.22 0.09 0.12 -0.94 0.24 0.00 0.00 174.94 174.67 1zye s SER 25 N -0.86 1.48 0.48 4.36 1.04 -1.26 -1.91 113.70 117.03 1zye s SER 25 Ca 0.02 -1.46 0.18 0.00 0.48 0.00 0.00 55.95 55.18 1zye s SER 25 Cb -0.07 0.24 1.18 0.00 0.10 0.00 0.00 66.02 67.46 1zye s SER 25 CO 0.01 -0.78 2.00 0.25 0.98 0.00 0.00 173.24 175.70 1zye h LEU 26 N 2.27 0.21 -1.40 2.42 5.85 -1.56 -2.52 115.31 120.58 1zye h LEU 26 Ca -0.37 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 1zye h LEU 26 Cb 1.25 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1zye h LEU 26 CO 0.58 0.12 -0.06 0.44 -0.34 0.00 0.00 178.44 179.19 1zye h ASP 27 N 0.23 0.30 0.08 1.25 3.32 -1.95 -1.58 116.42 118.07 1zye h ASP 27 Ca 0.24 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1zye h ASP 27 Cb 0.64 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1zye h ASP 27 CO -0.04 0.41 0.00 0.44 -1.72 0.00 0.00 179.24 178.32 1zye h ASP 28 N 0.31 0.00 -0.31 6.45 3.32 -1.86 -1.94 116.42 122.40 1zye h ASP 28 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1zye h ASP 28 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1zye h ASP 28 CO 0.01 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.02 1zye n PHE 29 N -2.47 0.41 -1.65 4.55 3.72 -0.59 -4.95 117.46 116.47 1zye n PHE 29 Ca -0.02 -0.48 -0.46 0.00 -0.05 0.00 0.00 57.45 56.44 1zye n PHE 29 Cb 0.06 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.54 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 0.43 1.83 -0.86 -1.08 3.00 -0.73 -1.81 118.16 118.94 1zye n LYS 30 Ca 0.10 0.65 0.00 0.00 -0.00 0.00 0.00 58.31 59.07 1zye n LYS 30 Cb 0.41 -2.29 0.00 0.00 0.00 0.00 0.00 35.03 33.15 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 2.29 0.72 3.51 3.14 0.00 0.70 -5.00 105.19 110.55 1zye n GLY 31 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.28 1.77 0.22 1.61 1.02 -0.75 -4.76 119.74 118.56 1zye s LYS 32 Ca 0.00 -1.83 -0.23 0.00 0.02 0.00 0.00 55.97 53.93 1zye s LYS 32 Cb 0.00 -1.76 -0.08 0.00 -0.52 0.00 0.00 37.83 35.47 1zye s LYS 32 CO 0.00 0.24 0.78 0.71 -0.92 0.00 0.00 175.35 176.16 1zye s TYR 33 N -2.55 3.75 -0.08 3.18 1.51 -0.09 -1.78 117.35 121.29 1zye s TYR 33 Ca 0.31 1.55 0.05 0.00 -1.01 0.00 0.00 57.07 57.97 1zye s TYR 33 Cb -0.02 -2.73 -0.00 0.00 -0.11 0.00 0.00 41.96 39.10 1zye s TYR 33 CO 0.16 0.38 -0.23 -1.17 -1.11 0.00 0.00 175.55 173.58 1zye s LEU 34 N -1.68 2.04 -0.52 -1.29 0.20 0.43 -0.19 118.68 117.68 1zye s LEU 34 Ca 0.42 -0.51 -0.13 0.00 0.69 0.00 0.00 54.13 54.59 1zye s LEU 34 Cb -0.19 -1.33 0.13 0.00 -0.43 0.00 0.00 46.19 44.36 1zye s LEU 34 CO 0.23 0.18 0.44 -0.69 -0.29 0.00 0.00 176.35 176.23 1zye s VAL 35 N 0.15 4.77 -0.21 1.68 1.01 0.36 -0.01 120.40 128.15 1zye s VAL 35 Ca -0.12 -1.67 -0.16 0.00 0.00 0.00 0.00 61.98 60.04 1zye s VAL 35 Cb -0.16 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1zye s VAL 35 CO 0.06 -0.83 0.39 -0.22 0.00 0.00 0.00 175.10 174.49 1zye s LEU 36 N 1.44 4.14 -0.03 3.92 2.96 -0.22 -1.49 118.68 129.39 1zye s LEU 36 Ca 0.05 0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 54.40 1zye s LEU 36 Cb -0.28 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 43.93 1zye s LEU 36 CO 0.01 -0.09 0.09 0.72 -1.32 0.00 0.00 176.35 175.77 1zye s PHE 37 N 1.40 -0.10 0.03 5.38 -0.71 -0.79 -0.00 117.98 123.19 1zye s PHE 37 Ca 0.18 0.24 0.03 0.00 -1.04 0.00 0.00 56.93 56.34 1zye s PHE 37 Cb -0.15 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.66 1zye s PHE 37 CO 0.08 -0.05 0.01 -0.06 -1.34 0.00 0.00 175.22 173.86 1zye s PHE 38 N 0.03 3.06 0.03 3.49 0.40 0.97 -0.09 117.98 125.87 1zye s PHE 38 Ca -0.00 0.05 -0.00 0.00 -0.60 0.00 0.00 56.93 56.38 1zye s PHE 38 Cb -0.01 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 1zye s PHE 38 CO 0.00 0.47 -0.03 1.52 0.70 0.00 0.00 175.22 177.88 1zye s TYR 39 N -1.18 0.37 0.00 0.36 1.13 0.03 -3.72 117.35 114.34 1zye s TYR 39 Ca 0.22 -0.71 0.00 0.00 -1.41 0.00 0.00 57.07 55.18 1zye s TYR 39 Cb -0.12 -0.27 0.00 0.00 -1.10 0.00 0.00 41.96 40.47 1zye s TYR 39 CO 0.14 -0.24 0.55 -2.30 -2.51 0.00 0.00 175.55 171.18 1zye n PRO 40 N 1.09 0.00 -4.06 -3.49 -0.02 -1.25 -4.31 135.00 122.95 1zye n PRO 40 Ca -0.21 0.14 -0.13 0.00 -2.02 0.00 0.00 63.50 61.28 1zye n PRO 40 Cb 0.57 -1.05 -0.12 0.00 -0.02 0.00 0.00 33.50 32.89 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 -1.48 2.24 0.74 2.45 1.43 -1.26 -4.00 118.68 118.80 1zye s LEU 41 Ca 0.00 -0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 1zye s LEU 41 Cb 0.00 -0.16 0.05 0.00 0.03 0.00 0.00 46.19 46.11 1zye s LEU 41 CO 0.00 -0.19 1.19 -1.81 0.23 0.00 0.00 176.35 175.77 1zye s ASP 42 N -1.49 4.15 -1.51 2.29 1.01 -1.26 -3.88 116.67 115.98 1zye s ASP 42 Ca -0.10 2.31 0.00 0.00 0.71 0.00 0.00 52.55 55.47 1zye s ASP 42 Cb -0.10 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.25 1zye s ASP 42 CO 0.00 -2.29 0.00 0.49 0.21 0.00 0.00 175.17 173.58 1zye n PHE 43 N -2.85 -0.51 -4.00 4.23 3.72 -1.26 -5.00 117.46 111.79 1zye n PHE 43 Ca 0.13 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.19 1zye n PHE 43 Cb 0.51 -3.16 -0.06 0.00 -0.94 0.00 0.00 39.48 35.82 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 -2.75 5.12 0.44 4.37 -4.23 -1.25 -5.01 115.64 112.33 1zye s THR 44 Ca 0.00 -0.18 0.21 0.00 -1.18 0.00 0.00 61.69 60.53 1zye s THR 44 Cb 0.00 -3.33 0.23 0.00 1.34 0.00 0.00 72.50 70.75 1zye s THR 44 CO 0.00 0.41 2.03 -0.26 -0.54 0.00 0.00 174.62 176.27 1zye h PHE 45 N 4.23 0.00 -0.07 3.99 0.04 -1.94 -3.25 116.94 119.94 1zye h PHE 45 Ca -0.50 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.07 1zye h PHE 45 Cb 1.19 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.36 1zye h PHE 45 CO 0.67 0.15 -0.73 0.28 -0.60 0.00 0.00 178.31 178.09 1zye h VAL 46 N 0.00 1.33 0.00 -0.55 2.07 -1.97 -3.41 116.25 113.73 1zye h VAL 46 Ca -0.00 -2.02 -0.15 0.00 0.82 0.00 0.00 66.70 65.35 1zye h VAL 46 Cb 0.32 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1zye h VAL 46 CO 0.02 0.62 -0.70 0.00 0.02 0.00 0.00 177.57 177.53 1zye h PRO 48 N 0.00 0.69 -0.57 0.00 0.13 -1.79 -3.05 132.00 127.40 1zye h PRO 48 Ca -0.01 -0.31 0.05 0.00 -0.87 0.00 0.00 66.00 64.86 1zye h PRO 48 Cb 1.33 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 1zye h PRO 48 CO 0.09 0.91 0.31 1.79 -0.23 0.00 0.00 178.00 180.87 1zye h THR 49 N 0.59 0.97 -0.41 1.56 1.35 -1.91 -0.61 112.91 114.44 1zye h THR 49 Ca 0.07 -0.20 -0.15 0.00 -0.55 0.00 0.00 66.41 65.58 1zye h THR 49 Cb 0.82 0.33 -0.01 0.00 -1.73 0.00 0.00 68.15 67.57 1zye h THR 49 CO 0.07 0.11 -0.31 -0.08 -0.25 0.00 0.00 175.52 175.05 1zye h GLU 50 N 0.58 0.93 0.22 4.72 4.81 -1.84 -0.62 114.58 123.39 1zye h GLU 50 Ca 0.25 -0.46 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1zye h GLU 50 Cb 0.14 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1zye h GLU 50 CO -0.16 1.12 -0.11 0.82 -0.73 0.00 0.00 179.01 179.95 1zye h ILE 51 N 0.76 0.82 -0.31 2.32 2.04 -1.38 -2.90 117.51 118.86 1zye h ILE 51 Ca 0.08 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.83 1zye h ILE 51 Cb 0.90 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 37.82 1zye h ILE 51 CO 0.08 0.04 -0.27 0.40 0.00 0.00 0.00 178.15 178.41 1zye h ILE 52 N -0.38 0.34 -0.90 -0.67 2.04 -1.07 -0.34 117.51 116.53 1zye h ILE 52 Ca -0.03 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.97 1zye h ILE 52 Cb 0.29 0.34 -0.14 0.00 -0.74 0.00 0.00 36.82 36.56 1zye h ILE 52 CO 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.85 1zye n ALA 53 N -2.88 -0.11 -0.01 1.87 0.00 -0.25 -0.96 120.51 118.18 1zye n ALA 53 Ca 0.00 0.90 -0.11 0.00 0.00 0.00 0.00 53.44 54.23 1zye n ALA 53 Cb 0.31 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 1zye n ALA 53 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1zye h PHE 54 N 0.00 0.13 -0.68 0.00 0.04 -0.87 -2.63 116.94 112.93 1zye h PHE 54 Ca 0.31 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.21 1zye h PHE 54 Cb 0.54 -0.04 -0.09 0.00 2.20 0.00 0.00 35.95 38.55 1zye h PHE 54 CO -0.79 0.15 0.19 1.03 -0.60 0.00 0.00 178.31 178.28 1zye h SER 55 N 0.07 0.08 0.00 2.17 0.87 -0.70 -0.28 113.55 115.76 1zye h SER 55 Ca 0.03 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1zye h SER 55 Cb 0.06 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1zye h SER 55 CO -0.01 0.02 0.00 0.47 -0.53 0.00 0.00 176.83 176.79 1zye n ASP 56 N -5.10 0.00 0.00 6.23 8.00 -0.13 -2.62 116.55 122.92 1zye n ASP 56 Ca 0.12 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.15 1zye n ASP 56 Cb 0.38 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1zye n ASP 56 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1zye n LYS 57 N -0.71 0.00 -0.24 -1.24 4.76 -1.00 -4.05 118.16 115.68 1zye n LYS 57 Ca 0.00 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 1zye n LYS 57 Cb 0.00 -1.29 0.05 0.00 -1.84 0.00 0.00 35.03 31.95 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 1.25 0.22 -0.48 7.82 0.00 -0.79 -1.63 119.26 125.65 1zye h ALA 58 Ca 0.00 0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1zye h ALA 58 Cb 0.00 0.69 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1zye h ALA 58 CO 0.00 -0.55 0.13 0.66 0.00 0.00 0.00 179.25 179.49 1zye h SER 59 N -0.08 0.08 -0.93 0.00 4.64 -1.83 -1.96 113.55 113.48 1zye h SER 59 Ca 0.30 0.07 0.27 0.00 -0.47 0.00 0.00 61.79 61.96 1zye h SER 59 Cb 0.55 0.08 -0.15 0.00 -0.31 0.00 0.00 62.40 62.57 1zye h SER 59 CO -0.74 0.07 0.28 -0.33 -0.87 0.00 0.00 176.83 175.24 1zye h GLU 60 N 0.28 0.17 -0.15 4.77 5.08 -1.61 0.18 114.58 123.30 1zye h GLU 60 Ca 0.23 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1zye h GLU 60 Cb 0.28 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1zye h GLU 60 CO -0.28 0.11 0.02 0.74 -1.00 0.00 0.00 179.01 178.60 1zye h PHE 61 N 0.17 0.27 -0.52 4.33 -1.00 -1.32 -3.11 116.94 115.76 1zye h PHE 61 Ca 0.61 -0.04 0.06 0.00 2.81 0.00 0.00 57.97 61.41 1zye h PHE 61 Cb 1.32 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 40.78 1zye h PHE 61 CO -0.24 0.44 0.35 0.45 -1.61 0.00 0.00 178.31 177.70 1zye h HIS 62 N 0.02 0.48 -0.40 -0.55 3.86 -0.35 -0.56 115.15 117.65 1zye h HIS 62 Ca 0.04 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1zye h HIS 62 Cb 0.32 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 1zye h HIS 62 CO 0.02 0.26 0.17 -0.44 0.86 0.00 0.00 177.93 178.80 1zye h ASP 63 N 0.48 0.55 -0.44 2.45 3.45 -0.74 -2.60 116.42 119.57 1zye h ASP 63 Ca 0.23 -0.16 -0.16 0.00 0.43 0.00 0.00 57.03 57.37 1zye h ASP 63 Cb 0.28 -0.14 -0.09 0.00 -0.56 0.00 0.00 39.33 38.81 1zye h ASP 63 CO -0.06 0.56 0.20 1.33 -1.57 0.00 0.00 179.24 179.70 1zye n VAL 64 N -4.65 1.89 -2.23 -1.35 0.24 -0.74 -4.90 118.33 106.59 1zye n VAL 64 Ca -0.00 -0.92 -0.04 0.00 -2.04 0.00 0.00 64.34 61.34 1zye n VAL 64 Cb 0.14 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 31.95 1zye n VAL 64 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1zye n ASN 65 N -0.06 -2.18 -3.86 -1.34 3.02 -0.85 -4.90 115.26 105.08 1zye n ASN 65 Ca 0.25 -0.03 -0.24 0.00 -0.03 0.00 0.00 54.58 54.53 1zye n ASN 65 Cb 0.97 -1.37 -0.17 0.00 -0.61 0.00 0.00 39.78 38.60 1zye n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1zye s GLU 67 N 1.56 3.71 -0.13 0.00 0.41 0.73 -3.12 118.70 121.88 1zye s GLU 67 Ca 0.00 0.46 -0.01 0.00 -0.41 0.00 0.00 54.97 55.01 1zye s GLU 67 Cb -0.13 -2.34 0.03 0.00 -1.78 0.00 0.00 34.13 29.91 1zye s GLU 67 CO -0.04 -0.14 -0.06 0.08 -0.49 0.00 0.00 175.26 174.60 1zye s VAL 68 N -2.55 1.02 -0.11 2.63 1.01 -1.26 -0.49 120.40 120.64 1zye s VAL 68 Ca 0.51 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.13 1zye s VAL 68 Cb -0.10 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.19 1zye s VAL 68 CO 0.37 0.28 -0.17 0.54 0.00 0.00 0.00 175.10 176.12 1zye s VAL 69 N 1.70 1.60 0.08 2.92 0.11 -0.56 -3.44 120.40 122.80 1zye s VAL 69 Ca 0.04 -0.71 -0.15 0.00 -2.93 0.00 0.00 61.98 58.23 1zye s VAL 69 Cb -0.13 -1.45 -0.06 0.00 -1.53 0.00 0.00 36.38 33.21 1zye s VAL 69 CO -0.08 0.46 0.49 0.00 -3.33 0.00 0.00 175.10 172.64 1zye s ALA 70 N 0.92 3.64 0.02 1.54 0.00 -0.53 -1.88 121.76 125.46 1zye s ALA 70 Ca -0.08 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1zye s ALA 70 Cb -0.15 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 1zye s ALA 70 CO -0.01 0.47 -0.04 0.54 0.00 0.00 0.00 175.76 176.72 1zye s VAL 71 N -1.26 0.22 0.29 0.00 0.11 0.87 -0.41 120.40 120.22 1zye s VAL 71 Ca 0.31 -0.80 -0.11 0.00 -2.93 0.00 0.00 61.98 58.45 1zye s VAL 71 Cb -0.16 -0.32 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 1zye s VAL 71 CO 0.17 -0.37 0.53 -0.94 -3.33 0.00 0.00 175.10 171.16 1zye s SER 72 N -1.23 0.18 0.00 3.54 1.04 -1.18 -0.79 113.70 115.25 1zye s SER 72 Ca -0.12 -1.09 0.24 0.00 0.48 0.00 0.00 55.95 55.46 1zye s SER 72 Cb -0.08 0.65 1.36 0.00 0.10 0.00 0.00 66.02 68.04 1zye s SER 72 CO -0.00 -1.27 1.78 1.33 0.98 0.00 0.00 173.24 176.06 1zye n VAL 73 N -0.45 0.08 -1.76 5.02 0.24 -1.26 -0.87 118.33 119.32 1zye n VAL 73 Ca -0.02 0.02 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 1zye n VAL 73 Cb 0.61 -0.64 0.04 0.00 -1.47 0.00 0.00 33.84 32.38 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 -2.16 5.69 0.71 -1.34 1.01 -1.26 -3.81 116.67 115.51 1zye s ASP 74 Ca 0.32 1.40 -0.15 0.00 0.71 0.00 0.00 52.55 54.84 1zye s ASP 74 Cb 0.16 -2.33 0.03 0.00 1.01 0.00 0.00 42.92 41.79 1zye s ASP 74 CO 0.30 -1.22 1.17 -0.94 0.21 0.00 0.00 175.17 174.69 1zye s SER 75 N -4.09 4.47 0.55 0.27 1.04 -1.26 -3.71 113.70 110.97 1zye s SER 75 Ca 0.57 2.21 0.33 0.00 0.48 0.00 0.00 55.95 59.54 1zye s SER 75 Cb -0.12 -2.57 1.47 0.00 0.10 0.00 0.00 66.02 64.89 1zye s SER 75 CO 0.54 -2.07 2.03 1.12 0.98 0.00 0.00 173.24 175.84 1zye h HIS 76 N -0.25 0.00 0.09 5.02 2.07 -1.93 -2.18 115.15 117.97 1zye h HIS 76 Ca -0.47 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.05 1zye h HIS 76 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 1zye h HIS 76 CO 0.50 0.05 -0.04 0.74 -3.07 0.00 0.00 177.93 176.11 1zye h PHE 77 N 0.00 -0.11 -0.82 6.12 0.04 -1.98 -2.12 116.94 118.07 1zye h PHE 77 Ca -0.00 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.90 1zye h PHE 77 Cb 0.45 0.04 -0.09 0.00 2.20 0.00 0.00 35.95 38.55 1zye h PHE 77 CO 0.00 0.13 0.41 0.77 -0.60 0.00 0.00 178.31 179.02 1zye h SER 78 N -0.34 0.51 0.51 2.17 0.02 -1.80 -1.43 113.55 113.19 1zye h SER 78 Ca -0.01 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1zye h SER 78 Cb 0.29 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1zye h SER 78 CO 0.02 0.23 -0.49 0.45 -1.14 0.00 0.00 176.83 175.90 1zye h HIS 79 N 0.62 -1.35 -0.17 3.45 3.86 -1.35 -1.88 115.15 118.32 1zye h HIS 79 Ca 0.43 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.67 1zye h HIS 79 Cb 0.57 0.52 -0.04 0.00 1.06 0.00 0.00 27.41 29.53 1zye h HIS 79 CO -0.10 -0.66 -0.31 1.25 0.86 0.00 0.00 177.93 178.97 1zye h LEU 80 N -1.00 -1.01 -1.38 2.43 5.85 -0.90 0.14 115.31 119.45 1zye h LEU 80 Ca -0.06 0.13 0.47 0.00 0.84 0.00 0.00 57.88 59.26 1zye h LEU 80 Cb 0.86 0.41 -0.13 0.00 0.37 0.00 0.00 40.66 42.17 1zye h LEU 80 CO -0.06 -0.24 0.89 0.00 -0.34 0.00 0.00 178.44 178.69 1zye n ALA 81 N -2.88 1.36 0.12 1.25 0.00 -0.58 0.25 120.51 120.03 1zye n ALA 81 Ca -0.03 0.84 -0.20 0.00 0.00 0.00 0.00 53.44 54.05 1zye n ALA 81 Cb 0.20 -1.04 -0.15 0.00 0.00 0.00 0.00 19.45 18.46 1zye n ALA 81 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1zye h TRP 82 N 0.00 0.71 -0.60 0.00 7.01 0.03 -2.46 115.95 120.64 1zye h TRP 82 Ca 0.86 -0.52 0.01 0.00 2.11 0.00 0.00 58.89 61.36 1zye h TRP 82 Cb 2.82 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 29.82 1zye h TRP 82 CO -0.01 1.43 0.39 0.82 -2.79 0.00 0.00 178.44 178.29 1zye h ILE 83 N 0.11 1.14 0.00 2.65 2.04 0.17 -1.59 117.51 122.02 1zye h ILE 83 Ca -0.21 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1zye h ILE 83 Cb 2.07 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1zye h ILE 83 CO 0.23 0.15 0.00 0.59 0.00 0.00 0.00 178.15 179.11 1zye n ASN 84 N -4.68 0.00 -4.70 1.72 3.02 0.14 -2.23 115.26 108.53 1zye n ASN 84 Ca 0.05 0.23 -0.41 0.00 -0.03 0.00 0.00 54.58 54.42 1zye n ASN 84 Cb 0.03 -0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 38.80 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 -2.73 4.94 0.29 3.41 2.01 -0.92 -4.95 115.64 117.69 1zye s THR 85 Ca 0.12 1.69 -0.29 0.00 0.31 0.00 0.00 61.69 63.51 1zye s THR 85 Cb 0.10 -4.15 -0.10 0.00 0.01 0.00 0.00 72.50 68.36 1zye s THR 85 CO 0.25 0.16 1.35 -2.84 -0.69 0.00 0.00 174.62 172.84 1zye s PRO 86 N 1.26 4.33 0.33 4.92 0.02 -1.26 -1.79 135.00 142.81 1zye s PRO 86 Ca 0.42 2.23 0.12 0.00 0.02 0.00 0.00 61.00 63.79 1zye s PRO 86 Cb -0.18 -3.09 0.99 0.00 0.02 0.00 0.00 34.50 32.23 1zye s PRO 86 CO 0.19 -0.27 1.67 0.00 -0.33 0.00 0.00 177.00 178.27 1zye h ARG 87 N 4.10 0.35 -0.85 5.54 3.08 -1.84 0.62 114.38 125.38 1zye h ARG 87 Ca -0.48 -0.02 0.17 0.00 0.07 0.00 0.00 59.98 59.72 1zye h ARG 87 Cb 1.22 -0.08 -0.16 0.00 0.08 0.00 0.00 29.97 31.03 1zye h ARG 87 CO 0.70 0.23 -0.21 1.17 -1.07 0.00 0.00 179.97 180.80 1zye n LYS 88 N -5.04 -0.08 -1.56 0.04 4.81 -1.26 -1.19 118.16 113.88 1zye n LYS 88 Ca 0.29 1.32 -0.35 0.00 -0.87 0.00 0.00 58.31 58.70 1zye n LYS 88 Cb 0.89 -1.97 0.06 0.00 0.02 0.00 0.00 35.03 34.03 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 7.33 0.00 3.14 3.02 0.20 -4.84 115.26 118.73 1zye n ASN 89 Ca 0.14 -3.80 0.00 0.00 -0.03 0.00 0.00 54.58 50.89 1zye n ASN 89 Cb 0.43 -0.93 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 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 -0.80 1.37 0.00 7.41 0.00 -0.33 -4.93 105.19 107.90 1zye n GLY 90 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.50 0.11 -0.02 0.00 -1.18 -4.91 105.19 95.70 1zye n GLY 91 Ca 0.00 -1.59 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 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 2.17 0.00 0.99 4.77 -0.64 -4.40 117.00 119.88 1zye n LEU 92 Ca 0.00 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1zye n LEU 92 Cb 0.00 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1zye n LEU 92 CO 0.00 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1zye n GLY 93 N 2.25 -0.69 3.60 -0.72 0.00 -0.74 -4.69 105.19 104.19 1zye n GLY 93 Ca -0.38 -1.13 -0.49 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.20 1.57 -5.13 1.61 -0.00 -1.26 -4.65 115.22 107.16 1zye n HIS 94 Ca 0.00 0.59 -0.32 0.00 -0.00 0.00 0.00 57.72 57.99 1zye n HIS 94 Cb 0.00 -2.35 -0.17 0.00 -0.00 0.00 0.00 29.99 27.48 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 0.11 3.06 0.00 1.57 0.00 -1.26 -5.00 119.30 117.77 1zye s MET 95 Ca 0.78 -0.87 0.24 0.00 0.00 0.00 0.00 55.69 55.84 1zye s MET 95 Cb -0.86 -2.33 0.53 0.00 0.00 0.00 0.00 34.83 32.17 1zye s MET 95 CO 0.48 0.16 1.45 0.09 0.00 0.00 0.00 175.02 177.19 1zye n ASN 96 N 3.59 2.64 -4.25 1.11 3.02 -1.26 -4.91 115.26 115.20 1zye n ASN 96 Ca -0.19 -1.86 -0.27 0.00 -0.03 0.00 0.00 54.58 52.23 1zye n ASN 96 Cb 0.53 -0.11 -0.15 0.00 -0.61 0.00 0.00 39.78 39.44 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 -1.78 1.71 0.36 2.41 -4.36 -1.26 -4.95 121.20 113.33 1zye s ILE 97 Ca 0.34 -1.09 -0.28 0.00 -0.26 0.00 0.00 60.65 59.36 1zye s ILE 97 Cb 0.21 -1.46 -0.12 0.00 1.25 0.00 0.00 42.46 42.34 1zye s ILE 97 CO 0.30 0.34 1.43 0.00 0.24 0.00 0.00 174.94 177.25 1zye n ALA 98 N 2.15 2.02 -3.54 2.27 0.00 -1.22 -4.88 120.51 117.30 1zye n ALA 98 Ca -0.16 0.35 -0.37 0.00 0.00 0.00 0.00 53.44 53.25 1zye n ALA 98 Cb 0.53 -2.37 -0.11 0.00 0.00 0.00 0.00 19.45 17.50 1zye n ALA 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1zye s LEU 99 N -1.58 4.88 -0.05 0.00 1.02 -1.05 -1.46 118.68 120.44 1zye s LEU 99 Ca 0.55 -1.63 -0.21 0.00 0.02 0.00 0.00 54.13 52.86 1zye s LEU 99 Cb -0.51 -1.86 -0.05 0.00 0.02 0.00 0.00 46.19 43.79 1zye s LEU 99 CO 0.62 -0.47 0.60 -0.22 0.02 0.00 0.00 176.35 176.90 1zye s LEU 100 N 1.28 4.36 -0.07 1.79 2.96 0.46 -0.48 118.68 128.97 1zye s LEU 100 Ca 0.03 1.09 -0.21 0.00 -0.22 0.00 0.00 54.13 54.83 1zye s LEU 100 Cb -0.22 -2.92 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 1zye s LEU 100 CO -0.01 0.02 0.59 -0.55 -1.32 0.00 0.00 176.35 175.07 1zye s SER 101 N 0.27 6.87 -0.69 3.68 0.15 -0.09 -3.07 113.70 120.82 1zye s SER 101 Ca 0.32 1.04 0.04 0.00 0.70 0.00 0.00 55.95 58.05 1zye s SER 101 Cb -0.17 -2.35 0.29 0.00 -1.71 0.00 0.00 66.02 62.07 1zye s SER 101 CO 0.16 -0.01 0.95 -0.67 1.20 0.00 0.00 173.24 174.87 1zye n ASP 102 N 3.42 4.48 0.12 5.45 2.03 -0.05 -4.34 116.55 127.65 1zye n ASP 102 Ca -0.05 -3.53 0.02 0.00 0.52 0.00 0.00 54.79 51.74 1zye n ASP 102 Cb 0.51 -0.73 0.36 0.00 -0.72 0.00 0.00 41.12 40.55 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 3.95 0.22 -0.44 -2.67 6.46 -1.74 -1.72 115.31 119.37 1zye h LEU 103 Ca 0.20 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1zye h LEU 103 Cb 0.59 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1zye h LEU 103 CO 0.91 0.42 0.00 0.35 -0.62 0.00 0.00 178.44 179.50 1zye n THR 104 N -4.23 0.03 -0.42 1.05 -2.24 -1.26 -4.87 114.28 102.34 1zye n THR 104 Ca -0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1zye n THR 104 Cb 0.30 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.44 0.00 0.18 -0.78 5.02 -0.65 -4.80 118.16 116.70 1zye n LYS 105 Ca 0.20 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.51 1zye n LYS 105 Cb 0.20 -4.07 0.33 0.00 -0.02 0.00 0.00 35.03 31.48 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 0.38 0.00 0.04 1.97 1.08 -1.89 -0.99 115.11 115.70 1zye h GLN 106 Ca 0.00 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 1zye h GLN 106 Cb 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1zye h GLN 106 CO 0.00 0.40 -0.51 0.82 -0.95 0.00 0.00 178.83 178.59 1zye h ILE 107 N 0.00 1.52 -0.00 2.54 2.04 -1.90 -2.06 117.51 119.64 1zye h ILE 107 Ca -0.00 -2.19 -0.05 0.00 1.00 0.00 0.00 64.86 63.61 1zye h ILE 107 Cb 0.72 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.67 1zye h ILE 107 CO 0.05 0.62 -0.24 0.28 0.00 0.00 0.00 178.15 178.86 1zye h SER 108 N -0.36 0.00 0.28 1.72 0.02 -1.89 -0.98 113.55 112.34 1zye h SER 108 Ca -0.08 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1zye h SER 108 Cb 1.30 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1zye h SER 108 CO 0.10 0.24 -0.13 -0.09 -1.14 0.00 0.00 176.83 175.81 1zye h ARG 109 N 0.00 -0.36 -0.22 3.45 2.43 -1.14 0.04 114.38 118.58 1zye h ARG 109 Ca -0.00 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1zye h ARG 109 Cb 0.43 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1zye h ARG 109 CO 0.03 -0.08 0.06 -0.44 -1.51 0.00 0.00 179.97 178.02 1zye h ASP 110 N -0.61 0.28 0.20 -3.80 3.32 -0.93 0.13 116.42 115.01 1zye h ASP 110 Ca -0.04 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1zye h ASP 110 Cb 0.44 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1zye h ASP 110 CO 0.06 0.29 -0.05 -1.22 -1.72 0.00 0.00 179.24 176.60 1zye n TYR 111 N -4.41 0.00 -3.35 4.55 4.02 -0.41 -4.57 117.16 112.99 1zye n TYR 111 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.71 1zye n TYR 111 Cb 0.15 -0.10 0.06 0.00 -0.02 0.00 0.00 39.34 39.43 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 1.18 -0.23 0.02 2.72 0.00 0.03 -4.86 105.19 104.05 1zye n GLY 112 Ca 0.18 0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.40 1.17 -3.09 1.61 0.24 -0.07 -5.02 118.33 108.77 1zye n VAL 113 Ca -0.01 -1.25 -0.43 0.00 -2.04 0.00 0.00 64.34 60.60 1zye n VAL 113 Cb 0.55 0.35 -0.06 0.00 -1.47 0.00 0.00 33.84 33.21 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 -1.39 4.76 -0.26 1.34 2.96 -1.03 -0.19 118.68 124.87 1zye s LEU 114 Ca 0.07 -0.76 -0.29 0.00 -0.22 0.00 0.00 54.13 52.94 1zye s LEU 114 Cb 0.06 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 1zye s LEU 114 CO 0.01 -0.95 1.83 -0.76 -1.32 0.00 0.00 176.35 175.16 1zye s LEU 115 N 2.90 3.64 0.29 -0.68 1.02 -0.60 -4.84 118.68 120.42 1zye s LEU 115 Ca 0.19 1.56 0.12 0.00 0.02 0.00 0.00 54.13 56.02 1zye s LEU 115 Cb -0.17 -3.53 0.40 0.00 0.02 0.00 0.00 46.19 42.91 1zye s LEU 115 CO 0.14 -1.60 1.62 -0.33 0.02 0.00 0.00 176.35 176.21 1zye h GLU 116 N 12.56 0.00 0.00 1.70 4.39 -1.95 -0.92 114.58 130.36 1zye h GLU 116 Ca -0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1zye h GLU 116 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1zye h GLU 116 CO 1.01 0.58 0.00 0.41 -1.16 0.00 0.00 179.01 179.84 1zye n GLY 117 N 0.30 -2.85 0.09 -3.84 0.00 -1.26 -3.36 105.19 94.26 1zye n GLY 117 Ca -0.01 0.30 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 0.10 -0.09 1.61 0.14 -1.99 -3.48 132.00 128.29 1zye h PRO 118 Ca 0.00 -0.15 0.00 0.00 0.14 0.00 0.00 66.00 65.99 1zye h PRO 118 Cb 0.00 0.05 0.00 0.00 0.14 0.00 0.00 31.00 31.19 1zye h PRO 118 CO 0.00 1.02 0.00 0.41 0.14 0.00 0.00 178.00 179.57 1zye n GLY 119 N 1.25 1.38 3.13 1.56 0.00 -0.36 -5.10 105.19 107.05 1zye n GLY 119 Ca -0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.09 2.33 0.48 0.99 2.34 -1.15 -4.93 118.68 118.65 1zye s LEU 120 Ca 0.00 -1.06 -0.18 0.00 0.06 0.00 0.00 54.13 52.96 1zye s LEU 120 Cb 0.00 0.13 -0.09 0.00 -0.56 0.00 0.00 46.19 45.67 1zye s LEU 120 CO 0.00 -0.59 0.96 0.00 -1.06 0.00 0.00 176.35 175.66 1zye s ALA 121 N -3.84 3.08 0.90 1.48 0.00 -1.26 -1.56 121.76 120.56 1zye s ALA 121 Ca 0.13 0.22 -0.14 0.00 0.00 0.00 0.00 51.96 52.18 1zye s ALA 121 Cb 0.07 -3.10 0.14 0.00 0.00 0.00 0.00 23.12 20.23 1zye s ALA 121 CO -0.05 -0.10 1.20 -0.51 0.00 0.00 0.00 175.76 176.30 1zye s LEU 122 N -3.76 2.28 -1.38 0.00 1.43 0.74 -3.80 118.68 114.20 1zye s LEU 122 Ca 0.59 0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.27 1zye s LEU 122 Cb -0.10 -2.98 0.09 0.00 0.03 0.00 0.00 46.19 43.24 1zye s LEU 122 CO 0.25 -2.46 2.07 0.54 0.23 0.00 0.00 176.35 176.99 1zye n ARG 123 N -3.66 3.18 -3.44 1.70 1.74 -0.88 -4.29 116.66 111.00 1zye n ARG 123 Ca 0.10 -3.00 -0.34 0.00 -0.77 0.00 0.00 57.85 53.84 1zye n ARG 123 Cb 0.60 -3.14 -0.05 0.00 -1.02 0.00 0.00 32.46 28.84 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 2.26 2.35 -0.02 -0.13 0.00 -1.24 -1.72 107.32 108.82 1zye s GLY 124 Ca 0.44 -0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.93 1zye s GLY 124 CO -0.05 -0.06 -0.09 -2.27 0.00 0.00 0.00 173.10 170.63 1zye s LEU 125 N -2.32 1.89 -0.06 0.66 0.20 -0.17 -0.02 118.68 118.87 1zye s LEU 125 Ca 0.41 -0.18 0.03 0.00 0.69 0.00 0.00 54.13 55.08 1zye s LEU 125 Cb -0.13 -0.52 0.01 0.00 -0.43 0.00 0.00 46.19 45.11 1zye s LEU 125 CO 0.20 0.09 -0.14 -0.36 -0.29 0.00 0.00 176.35 175.85 1zye s PHE 126 N -0.00 1.57 -0.39 5.38 0.08 1.00 -1.17 117.98 124.44 1zye s PHE 126 Ca 0.00 -0.54 -0.14 0.00 0.12 0.00 0.00 56.93 56.37 1zye s PHE 126 Cb -0.06 -1.11 0.01 0.00 -0.57 0.00 0.00 43.02 41.29 1zye s PHE 126 CO 0.00 -0.25 0.27 0.42 -0.10 0.00 0.00 175.22 175.56 1zye s ILE 127 N 0.44 5.12 -0.16 0.64 1.01 -0.59 -1.05 121.20 126.61 1zye s ILE 127 Ca -0.11 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 1zye s ILE 127 Cb -0.14 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 1zye s ILE 127 CO 0.04 -0.22 -0.01 -0.63 0.00 0.00 0.00 174.94 174.11 1zye s ILE 128 N 1.66 4.16 0.74 2.92 1.01 0.99 -0.66 121.20 132.02 1zye s ILE 128 Ca 0.05 -0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 1zye s ILE 128 Cb -0.19 -2.83 0.05 0.00 0.01 0.00 0.00 42.46 39.50 1zye s ILE 128 CO 0.09 0.49 1.11 1.51 0.00 0.00 0.00 174.94 178.15 1zye s ASP 129 N 0.26 4.95 0.63 3.58 1.47 -0.21 -0.42 116.67 126.92 1zye s ASP 129 Ca -0.01 0.86 0.20 0.00 1.18 0.00 0.00 52.55 54.78 1zye s ASP 129 Cb -0.13 -1.51 0.85 0.00 -0.34 0.00 0.00 42.92 41.78 1zye s ASP 129 CO 0.02 -1.61 1.40 1.55 0.68 0.00 0.00 175.17 177.21 1zye h PRO 130 N -0.80 0.00 -0.11 2.11 0.13 -1.64 0.20 132.00 131.89 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 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1zye h PRO 130 CO 0.64 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.50 1zye n ASN 131 N -3.07 2.56 0.00 1.44 4.13 -1.26 -0.22 115.26 118.85 1zye n ASN 131 Ca 0.11 -1.84 0.00 0.00 1.68 0.00 0.00 54.58 54.53 1zye n ASN 131 Cb 1.09 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 39.27 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 1.31 0.53 3.69 7.41 0.00 0.69 -4.98 105.19 113.84 1zye n GLY 132 Ca 0.17 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.00 5.27 -0.19 1.61 1.01 -1.25 0.17 120.40 125.03 1zye s VAL 133 Ca 0.00 0.56 -0.29 0.00 0.00 0.00 0.00 61.98 62.25 1zye s VAL 133 Cb 0.00 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1zye s VAL 133 CO 0.00 0.33 1.24 0.27 0.00 0.00 0.00 175.10 176.94 1zye s ILE 134 N 0.89 4.31 -0.12 2.22 -5.25 -0.64 -1.04 121.20 121.57 1zye s ILE 134 Ca 0.16 1.58 0.21 0.00 -0.99 0.00 0.00 60.65 61.61 1zye s ILE 134 Cb -0.14 -4.05 -0.21 0.00 2.95 0.00 0.00 42.46 41.01 1zye s ILE 134 CO 0.06 -0.18 0.64 0.29 -1.79 0.00 0.00 174.94 173.95 1zye n LYS 135 N 6.66 0.64 -3.72 0.37 4.76 0.16 -2.88 118.16 124.15 1zye n LYS 135 Ca 0.14 -0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.41 1zye n LYS 135 Cb 0.45 -1.65 -0.09 0.00 -1.84 0.00 0.00 35.03 31.90 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 -3.28 -0.43 -0.01 2.13 5.04 -1.21 -4.98 115.29 112.56 1zye s HIS 136 Ca -0.05 1.01 0.00 0.00 -1.54 0.00 0.00 55.06 54.48 1zye s HIS 136 Cb 0.11 0.16 0.01 0.00 0.04 0.00 0.00 32.58 32.90 1zye s HIS 136 CO 0.85 -0.27 -0.01 -0.48 -2.34 0.00 0.00 174.74 172.50 1zye s LEU 137 N -0.07 1.70 0.06 8.88 0.05 -1.26 -1.55 118.68 126.49 1zye s LEU 137 Ca -0.03 -0.02 0.05 0.00 0.05 0.00 0.00 54.13 54.18 1zye s LEU 137 Cb -0.03 -0.10 -0.04 0.00 -2.05 0.00 0.00 46.19 43.97 1zye s LEU 137 CO 0.02 -0.03 -0.05 -0.44 -0.55 0.00 0.00 176.35 175.30 1zye s SER 138 N 0.33 4.75 -0.15 1.48 0.01 -0.32 -4.96 113.70 114.84 1zye s SER 138 Ca -0.03 -0.21 -0.04 0.00 1.31 0.00 0.00 55.95 56.99 1zye s SER 138 Cb -0.05 -1.08 0.07 0.00 0.21 0.00 0.00 66.02 65.17 1zye s SER 138 CO -0.01 0.22 0.19 -0.69 0.41 0.00 0.00 173.24 173.36 1zye s VAL 139 N -1.17 -0.28 0.04 3.43 1.01 -1.26 -1.00 120.40 121.17 1zye s VAL 139 Ca 0.21 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.27 1zye s VAL 139 Cb -0.11 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1zye s VAL 139 CO 0.13 -0.07 0.10 0.20 0.00 0.00 0.00 175.10 175.46 1zye s ASN 140 N 2.30 5.70 1.03 3.32 0.01 -0.70 -4.96 114.94 121.63 1zye s ASN 140 Ca 0.05 0.09 -0.15 0.00 -0.71 0.00 0.00 52.86 52.13 1zye s ASN 140 Cb -0.14 -1.61 0.06 0.00 0.41 0.00 0.00 41.25 39.98 1zye s ASN 140 CO -0.09 0.21 0.21 -0.67 -1.51 0.00 0.00 177.10 175.26 1zye n ASP 141 N 0.75 -2.26 -0.25 -1.22 2.03 -1.26 -2.08 116.55 112.25 1zye n ASP 141 Ca -0.10 0.13 0.06 0.00 0.52 0.00 0.00 54.79 55.39 1zye n ASP 141 Cb 0.52 -1.09 0.18 0.00 -0.72 0.00 0.00 41.12 40.01 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 -1.78 -0.15 -2.74 -2.67 3.38 -1.95 -3.04 115.31 106.35 1zye h LEU 142 Ca -0.48 0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 1zye h LEU 142 Cb 1.32 0.27 -0.09 0.00 0.09 0.00 0.00 40.66 42.24 1zye h LEU 142 CO 0.36 -0.11 0.20 -0.81 0.09 0.00 0.00 178.44 178.16 1zye n PRO 143 N -5.25 2.27 -3.78 1.13 -0.04 -1.26 -4.86 135.00 123.21 1zye n PRO 143 Ca 0.14 -1.61 -0.28 0.00 -0.04 0.00 0.00 63.50 61.71 1zye n PRO 143 Cb 0.48 -1.74 -0.16 0.00 -0.04 0.00 0.00 33.50 32.04 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 -1.82 0.75 0.69 0.52 1.01 -1.15 -5.12 120.40 115.28 1zye s VAL 144 Ca 0.29 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 1zye s VAL 144 Cb 0.24 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.41 1zye s VAL 144 CO 0.07 -0.21 1.14 -0.83 0.00 0.00 0.00 175.10 175.27 1zye s GLY 145 N 1.75 2.20 0.37 4.51 0.00 -1.26 -4.84 107.32 110.05 1zye s GLY 145 Ca -0.02 0.65 -0.10 0.00 0.00 0.00 0.00 44.72 45.25 1zye s GLY 145 CO -0.08 1.02 0.72 0.50 0.00 0.00 0.00 173.10 175.26 1zye s ARG 146 N -4.05 3.78 -0.28 2.90 0.52 -1.26 -5.08 118.95 115.47 1zye s ARG 146 Ca 0.69 0.41 -0.23 0.00 -0.52 0.00 0.00 55.73 56.08 1zye s ARG 146 Cb -0.23 -2.45 -0.00 0.00 0.52 0.00 0.00 34.95 32.79 1zye s ARG 146 CO 0.43 0.04 0.77 0.45 0.02 0.00 0.00 175.30 177.01 1zye s SER 147 N -3.03 6.69 0.34 0.23 0.15 -1.26 -4.94 113.70 111.87 1zye s SER 147 Ca 0.50 0.75 0.07 0.00 0.70 0.00 0.00 55.95 57.98 1zye s SER 147 Cb -0.10 -2.40 0.61 0.00 -1.71 0.00 0.00 66.02 62.41 1zye s SER 147 CO 0.29 -0.55 1.81 0.58 1.20 0.00 0.00 173.24 176.57 1zye h VAL 148 N 5.53 1.24 0.04 4.45 2.07 -1.95 -2.45 116.25 125.18 1zye h VAL 148 Ca -0.24 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.17 1zye h VAL 148 Cb 1.10 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1zye h VAL 148 CO 0.86 0.34 -0.07 -0.33 0.02 0.00 0.00 177.57 178.39 1zye h GLU 149 N 0.25 -0.14 -0.38 1.57 4.39 -1.97 -1.74 114.58 116.56 1zye h GLU 149 Ca 0.04 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.82 1zye h GLU 149 Cb 0.57 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.19 1zye h GLU 149 CO 0.04 -0.10 0.02 1.49 -1.16 0.00 0.00 179.01 179.30 1zye h GLU 150 N -0.15 0.12 -0.51 2.33 4.57 -1.91 -0.75 114.58 118.27 1zye h GLU 150 Ca 0.02 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.27 1zye h GLU 150 Cb 0.17 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.66 1zye h GLU 150 CO -0.05 0.08 0.14 1.15 -1.18 0.00 0.00 179.01 179.14 1zye h THR 151 N 0.12 0.75 -0.28 0.32 2.02 -1.19 -0.82 112.91 113.84 1zye h THR 151 Ca 0.18 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.27 1zye h THR 151 Cb 0.25 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1zye h THR 151 CO -0.29 0.05 0.17 0.25 0.37 0.00 0.00 175.52 176.07 1zye h LEU 152 N 0.29 0.28 -0.87 2.58 5.85 -0.72 -1.45 115.31 121.26 1zye h LEU 152 Ca 0.26 -0.00 0.13 0.00 0.84 0.00 0.00 57.88 59.11 1zye h LEU 152 Cb 0.33 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.21 1zye h LEU 152 CO -0.30 0.20 0.48 -0.09 -0.34 0.00 0.00 178.44 178.39 1zye h ARG 153 N 0.35 0.69 -0.30 1.25 2.43 -0.38 -2.18 114.38 116.23 1zye h ARG 153 Ca 0.11 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1zye h ARG 153 Cb -0.01 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1zye h ARG 153 CO -0.04 0.46 0.09 -0.07 -1.51 0.00 0.00 179.97 178.89 1zye h LEU 154 N 0.71 0.45 0.43 3.80 3.38 -0.60 -0.87 115.31 122.61 1zye h LEU 154 Ca 0.46 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1zye h LEU 154 Cb 0.59 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1zye h LEU 154 CO -0.33 0.54 -0.26 0.58 0.09 0.00 0.00 178.44 179.06 1zye h VAL 155 N 0.33 0.45 -0.65 1.22 2.07 -0.85 -1.71 116.25 117.11 1zye h VAL 155 Ca 0.10 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.76 1zye h VAL 155 Cb 0.26 0.45 -0.11 0.00 -1.52 0.00 0.00 31.29 30.37 1zye h VAL 155 CO -0.00 0.00 -0.02 0.11 0.02 0.00 0.00 177.57 177.68 1zye h LYS 156 N -0.66 0.09 -0.69 1.57 1.57 -1.37 -1.67 116.57 115.41 1zye h LYS 156 Ca -0.05 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.84 1zye h LYS 156 Cb 0.54 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 1zye h LYS 156 CO 0.05 0.06 0.29 0.00 -0.57 0.00 0.00 179.45 179.29 1zye h ALA 157 N 1.61 0.94 0.00 3.86 0.00 -0.74 -0.76 119.26 124.16 1zye h ALA 157 Ca 0.34 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.26 1zye h ALA 157 Cb 0.56 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1zye h ALA 157 CO -0.58 -0.15 -0.37 0.74 0.00 0.00 0.00 179.25 178.89 1zye h PHE 158 N 0.48 0.00 -0.05 0.00 0.04 -0.39 -2.26 116.94 114.76 1zye h PHE 158 Ca 0.36 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 61.00 1zye h PHE 158 Cb 0.46 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.61 1zye h PHE 158 CO -0.15 0.37 -0.45 1.96 -0.60 0.00 0.00 178.31 179.44 1zye h GLN 159 N 0.00 0.40 -0.10 1.51 4.20 -1.07 -3.10 115.11 116.95 1zye h GLN 159 Ca -0.00 -0.36 0.03 0.00 0.06 0.00 0.00 58.65 58.38 1zye h GLN 159 Cb 0.78 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.59 1zye h GLN 159 CO 0.05 1.01 -0.53 0.35 -0.67 0.00 0.00 178.83 179.04 1zye h PHE 160 N -0.09 -1.56 0.00 2.96 3.04 -0.88 -1.23 116.94 119.18 1zye h PHE 160 Ca -0.04 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1zye h PHE 160 Cb 1.13 0.70 0.00 0.00 2.56 0.00 0.00 35.95 40.33 1zye h PHE 160 CO 0.13 -0.55 0.00 1.55 -2.02 0.00 0.00 178.31 177.42 1zye n VAL 161 N -5.44 1.18 -0.88 1.41 3.14 -0.87 -1.72 118.33 115.14 1zye n VAL 161 Ca -0.06 0.51 0.08 0.00 -2.96 0.00 0.00 64.34 61.90 1zye n VAL 161 Cb 0.38 -1.47 0.37 0.00 -1.06 0.00 0.00 33.84 32.07 1zye n VAL 161 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1zye n GLU 162 N -2.02 4.43 0.00 1.45 -0.58 -0.48 -5.11 120.64 118.33 1zye n GLU 162 Ca 0.00 -3.07 0.00 0.00 -0.42 0.00 0.00 57.16 53.67 1zye n GLU 162 Cb 0.09 -2.15 0.00 0.00 -0.57 0.00 0.00 31.44 28.81 1zye n GLU 162 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65