#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 1.24 -1.26 0.55 0.00 -1.26 -4.98 121.76 116.05 1zye s ALA 3 Ca 0.00 -1.55 -0.18 0.00 0.00 0.00 0.00 51.96 50.22 1zye s ALA 3 Cb 0.00 0.57 0.01 0.00 0.00 0.00 0.00 23.12 23.70 1zye s ALA 3 CO 0.00 -0.34 1.91 0.28 0.00 0.00 0.00 175.76 177.60 1zye n VAL 4 N -0.20 3.21 0.00 0.00 0.31 -1.26 -2.51 118.33 117.88 1zye n VAL 4 Ca -0.07 -3.18 0.00 0.00 -0.01 0.00 0.00 64.34 61.09 1zye n VAL 4 Cb 0.63 -2.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 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 6.34 0.00 -3.96 2.52 -2.24 -1.16 -4.95 114.28 110.83 1zye n THR 5 Ca 0.49 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 62.05 1zye n THR 5 Cb 0.44 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 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 2.81 0.30 -0.78 -0.21 -1.04 -4.84 119.66 115.90 1zye s GLN 6 Ca 0.00 -1.19 -0.29 0.00 0.02 0.00 0.00 55.36 53.90 1zye s GLN 6 Cb 0.00 -2.51 -0.10 0.00 1.00 0.00 0.00 33.01 31.40 1zye s GLN 6 CO 0.00 0.24 1.28 -1.01 -2.12 0.00 0.00 175.29 173.68 1zye s HIS 7 N -2.23 3.16 0.51 0.91 3.76 -1.26 -1.66 115.29 118.49 1zye s HIS 7 Ca 0.37 1.42 -0.23 0.00 -0.15 0.00 0.00 55.06 56.47 1zye s HIS 7 Cb -0.07 -3.61 -0.06 0.00 1.11 0.00 0.00 32.58 29.95 1zye s HIS 7 CO 0.26 -1.68 1.37 0.00 -0.85 0.00 0.00 174.74 173.83 1zye s ALA 8 N -0.92 2.98 0.51 -1.40 0.00 0.29 -4.80 121.76 118.42 1zye s ALA 8 Ca 0.50 1.35 -0.22 0.00 0.00 0.00 0.00 51.96 53.58 1zye s ALA 8 Cb -0.38 -3.56 -0.07 0.00 0.00 0.00 0.00 23.12 19.11 1zye s ALA 8 CO 0.48 -1.25 1.16 -2.30 0.00 0.00 0.00 175.76 173.86 1zye n PRO 9 N -0.69 1.45 -1.71 0.00 -0.02 -1.26 -4.96 135.00 127.82 1zye n PRO 9 Ca 0.08 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.71 1zye n PRO 9 Cb 0.44 -2.32 0.05 0.00 -0.02 0.00 0.00 33.50 31.65 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 -0.96 1.91 -3.81 6.00 9.36 -1.26 -4.96 117.16 123.45 1zye n TYR 10 Ca 0.10 0.44 -0.12 0.00 3.32 0.00 0.00 57.90 61.64 1zye n TYR 10 Cb 0.43 -2.30 -0.11 0.00 -0.63 0.00 0.00 39.34 36.73 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 -1.34 -0.18 0.17 2.98 -0.12 -1.26 -4.99 117.98 113.24 1zye s PHE 11 Ca 0.73 0.42 0.03 0.00 -0.05 0.00 0.00 56.93 58.07 1zye s PHE 11 Cb -0.42 0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 41.98 1zye s PHE 11 CO 0.48 -0.16 -0.05 0.21 -0.05 0.00 0.00 175.22 175.65 1zye s LYS 12 N -0.23 1.12 0.00 1.99 2.20 -1.26 -1.44 119.74 122.12 1zye s LYS 12 Ca -0.03 -1.52 0.00 0.00 -0.36 0.00 0.00 55.97 54.06 1zye s LYS 12 Cb -0.03 -0.50 0.00 0.00 -1.51 0.00 0.00 37.83 35.79 1zye s LYS 12 CO 0.01 -0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 1zye n GLY 13 N -0.25 2.94 3.67 5.54 0.00 -1.03 -5.00 105.19 111.06 1zye n GLY 13 Ca -0.08 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 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 4.51 0.19 2.61 2.01 -1.26 -1.12 115.64 120.58 1zye s THR 14 Ca 0.00 1.81 0.08 0.00 0.31 0.00 0.00 61.69 63.89 1zye s THR 14 Cb 0.00 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1zye s THR 14 CO 0.00 -0.11 0.01 0.00 -0.69 0.00 0.00 174.62 173.83 1zye s ALA 15 N 2.97 3.22 -0.68 7.40 0.00 -0.23 -1.18 121.76 133.26 1zye s ALA 15 Ca 0.50 -1.40 -0.21 0.00 0.00 0.00 0.00 51.96 50.85 1zye s ALA 15 Cb -0.19 -0.98 0.09 0.00 0.00 0.00 0.00 23.12 22.04 1zye s ALA 15 CO 0.13 0.44 0.90 0.08 0.00 0.00 0.00 175.76 177.32 1zye s VAL 16 N -1.82 4.57 -0.07 0.00 1.01 0.23 -1.44 120.40 122.88 1zye s VAL 16 Ca 0.28 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1zye s VAL 16 Cb -0.09 -4.63 -0.00 0.00 0.00 0.00 0.00 36.38 31.66 1zye s VAL 16 CO 0.19 -1.35 -0.00 0.58 0.00 0.00 0.00 175.10 174.51 1zye h VAL 17 N 5.92 0.00 0.00 2.92 2.07 -1.25 -2.29 116.25 123.61 1zye h VAL 17 Ca -0.22 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.66 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 1.14 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 177.53 1zye n SER 18 N -3.79 0.00 -1.24 0.57 7.64 -1.26 -4.71 113.62 110.83 1zye n SER 18 Ca -0.00 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.99 1zye n SER 18 Cb 0.00 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 63.48 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 4.40 2.23 3.46 0.23 0.00 -1.26 -4.92 105.19 109.32 1zye n GLY 19 Ca 0.00 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.16 1.65 0.26 1.61 2.02 -1.26 -5.10 118.70 116.72 1zye s GLU 20 Ca 0.44 -1.66 -0.29 0.00 0.02 0.00 0.00 54.97 53.48 1zye s GLU 20 Cb 0.24 -1.82 -0.09 0.00 0.10 0.00 0.00 34.13 32.56 1zye s GLU 20 CO 0.32 0.36 0.96 -0.06 0.02 0.00 0.00 175.26 176.86 1zye s PHE 21 N -2.18 3.87 -0.20 1.61 0.08 -1.26 -0.76 117.98 119.14 1zye s PHE 21 Ca 0.27 1.86 -0.12 0.00 0.12 0.00 0.00 56.93 59.06 1zye s PHE 21 Cb -0.06 -3.01 0.06 0.00 -0.57 0.00 0.00 43.02 39.44 1zye s PHE 21 CO 0.13 0.28 0.49 0.21 -0.10 0.00 0.00 175.22 176.23 1zye s LYS 22 N -1.40 0.50 0.10 0.44 2.20 -0.52 -4.87 119.74 116.19 1zye s LYS 22 Ca 0.43 0.90 -0.31 0.00 -0.36 0.00 0.00 55.97 56.64 1zye s LYS 22 Cb -0.25 0.05 -0.08 0.00 -1.51 0.00 0.00 37.83 36.03 1zye s LYS 22 CO 0.31 -0.15 1.49 -1.21 -0.36 0.00 0.00 175.35 175.44 1zye s GLU 23 N 1.37 4.26 0.01 4.03 0.41 -1.26 -1.07 118.70 126.45 1zye s GLU 23 Ca -0.09 2.19 0.03 0.00 -0.41 0.00 0.00 54.97 56.68 1zye s GLU 23 Cb -0.07 -3.35 -0.01 0.00 -1.78 0.00 0.00 34.13 28.92 1zye s GLU 23 CO -0.14 -0.57 -0.09 0.96 -0.49 0.00 0.00 175.26 174.94 1zye s ILE 24 N 1.64 0.66 0.27 -1.63 -4.36 -0.27 -4.93 121.20 112.58 1zye s ILE 24 Ca 0.68 -0.59 0.02 0.00 -0.26 0.00 0.00 60.65 60.50 1zye s ILE 24 Cb -0.38 -0.60 -0.05 0.00 1.25 0.00 0.00 42.46 42.67 1zye s ILE 24 CO 0.30 0.02 0.09 -0.94 0.24 0.00 0.00 174.94 174.65 1zye s SER 25 N -0.63 1.40 0.57 4.36 1.04 -1.26 -2.47 113.70 116.70 1zye s SER 25 Ca 0.00 -1.38 0.26 0.00 0.48 0.00 0.00 55.95 55.31 1zye s SER 25 Cb -0.05 0.12 1.55 0.00 0.10 0.00 0.00 66.02 67.74 1zye s SER 25 CO 0.00 -0.70 2.10 0.25 0.98 0.00 0.00 173.24 175.87 1zye h LEU 26 N 2.35 0.00 -1.20 2.42 5.85 -1.62 -2.47 115.31 120.64 1zye h LEU 26 Ca -0.39 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.25 1zye h LEU 26 Cb 1.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1zye h LEU 26 CO 0.62 0.00 -0.34 0.44 -0.34 0.00 0.00 178.44 178.83 1zye h ASP 27 N 0.00 0.11 0.02 1.25 3.32 -1.95 -2.66 116.42 116.51 1zye h ASP 27 Ca 0.10 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1zye h ASP 27 Cb 0.48 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1zye h ASP 27 CO -0.00 0.45 0.00 0.47 -1.72 0.00 0.00 179.24 178.44 1zye n ASP 28 N -4.11 0.49 -0.82 6.45 8.00 -0.93 -1.60 116.55 124.04 1zye n ASP 28 Ca -0.02 0.73 0.07 0.00 0.71 0.00 0.00 54.79 56.28 1zye n ASP 28 Cb 0.40 -0.79 0.22 0.00 -0.02 0.00 0.00 41.12 40.92 1zye n ASP 28 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1zye n PHE 29 N -2.16 0.75 -1.83 1.24 3.72 -1.00 -4.96 117.46 113.22 1zye n PHE 29 Ca -0.01 -0.68 -0.41 0.00 -0.05 0.00 0.00 57.45 56.29 1zye n PHE 29 Cb 0.04 -0.18 -0.01 0.00 -0.94 0.00 0.00 39.48 38.39 1zye n PHE 29 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1zye s LYS 30 N -1.90 4.15 -0.52 -1.08 2.47 -0.63 -2.08 119.74 120.16 1zye s LYS 30 Ca 0.34 2.52 0.00 0.00 -1.56 0.00 0.00 55.97 57.27 1zye s LYS 30 Cb 0.24 -3.03 0.00 0.00 -1.46 0.00 0.00 37.83 33.58 1zye s LYS 30 CO 0.13 -0.57 0.00 0.41 0.16 0.00 0.00 175.35 175.48 1zye n GLY 31 N 1.82 0.65 3.27 5.54 0.00 0.75 -5.00 105.19 112.21 1zye n GLY 31 Ca 0.06 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.92 1.10 0.28 1.61 1.02 -0.88 -4.81 119.74 116.14 1zye s LYS 32 Ca 0.00 -1.47 -0.22 0.00 0.02 0.00 0.00 55.97 54.30 1zye s LYS 32 Cb 0.00 -0.70 -0.09 0.00 -0.52 0.00 0.00 37.83 36.52 1zye s LYS 32 CO 0.00 0.09 0.82 0.71 -0.92 0.00 0.00 175.35 176.05 1zye s TYR 33 N -3.27 3.63 -0.05 3.18 1.51 -0.81 -1.86 117.35 119.68 1zye s TYR 33 Ca 0.18 1.53 0.02 0.00 -1.01 0.00 0.00 57.07 57.79 1zye s TYR 33 Cb 0.02 -2.74 0.01 0.00 -0.11 0.00 0.00 41.96 39.14 1zye s TYR 33 CO 0.02 0.25 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.43 1zye s LEU 34 N -2.14 1.66 -0.47 -1.29 0.20 0.30 0.35 118.68 117.28 1zye s LEU 34 Ca 0.47 -0.25 -0.08 0.00 0.69 0.00 0.00 54.13 54.96 1zye s LEU 34 Cb -0.16 -0.72 0.12 0.00 -0.43 0.00 0.00 46.19 45.00 1zye s LEU 34 CO 0.21 0.04 0.33 -0.69 -0.29 0.00 0.00 176.35 175.95 1zye s VAL 35 N 0.52 4.07 -0.26 1.68 1.01 0.23 -1.06 120.40 126.59 1zye s VAL 35 Ca -0.10 -1.87 -0.13 0.00 0.00 0.00 0.00 61.98 59.89 1zye s VAL 35 Cb -0.13 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1zye s VAL 35 CO 0.02 -0.77 0.26 -0.22 0.00 0.00 0.00 175.10 174.39 1zye s LEU 36 N 1.28 4.07 0.02 3.92 2.96 -0.55 -1.46 118.68 128.93 1zye s LEU 36 Ca 0.07 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 1zye s LEU 36 Cb -0.25 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.17 1zye s LEU 36 CO -0.01 -0.06 -0.05 0.72 -1.32 0.00 0.00 176.35 175.62 1zye s PHE 37 N 1.61 0.47 0.05 5.38 -0.71 -0.62 0.14 117.98 124.30 1zye s PHE 37 Ca 0.11 -0.34 0.05 0.00 -1.04 0.00 0.00 56.93 55.71 1zye s PHE 37 Cb -0.15 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.33 1zye s PHE 37 CO 0.09 -0.07 -0.09 -0.06 -1.34 0.00 0.00 175.22 173.74 1zye s PHE 38 N -0.91 2.79 0.08 3.49 0.40 0.89 0.60 117.98 125.31 1zye s PHE 38 Ca -0.07 -0.11 0.02 0.00 -0.60 0.00 0.00 56.93 56.17 1zye s PHE 38 Cb -0.07 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 1zye s PHE 38 CO -0.00 0.37 -0.08 1.52 0.70 0.00 0.00 175.22 177.73 1zye s TYR 39 N -1.07 0.88 0.00 0.36 1.13 0.10 -3.61 117.35 115.15 1zye s TYR 39 Ca 0.18 -0.72 0.00 0.00 -1.41 0.00 0.00 57.07 55.12 1zye s TYR 39 Cb -0.11 -0.50 0.00 0.00 -1.10 0.00 0.00 41.96 40.25 1zye s TYR 39 CO 0.10 -0.09 0.50 -2.30 -2.51 0.00 0.00 175.55 171.24 1zye n PRO 40 N 0.55 0.00 -3.88 -3.49 -0.02 -1.23 -4.31 135.00 122.63 1zye n PRO 40 Ca -0.16 0.25 -0.11 0.00 -2.02 0.00 0.00 63.50 61.46 1zye n PRO 40 Cb 0.58 -1.00 -0.10 0.00 -0.02 0.00 0.00 33.50 32.97 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 -1.49 1.61 0.73 2.45 1.43 -1.26 -4.06 118.68 118.09 1zye s LEU 41 Ca 0.00 -0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 1zye s LEU 41 Cb 0.00 0.66 0.04 0.00 0.03 0.00 0.00 46.19 46.92 1zye s LEU 41 CO 0.00 -0.40 1.18 -1.81 0.23 0.00 0.00 176.35 175.55 1zye s ASP 42 N -1.55 4.27 -1.36 2.29 1.01 -1.26 -3.78 116.67 116.28 1zye s ASP 42 Ca -0.13 2.27 0.00 0.00 0.71 0.00 0.00 52.55 55.40 1zye s ASP 42 Cb -0.06 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1zye s ASP 42 CO 0.00 -2.21 0.00 0.49 0.21 0.00 0.00 175.17 173.66 1zye n PHE 43 N -2.80 0.00 -3.45 4.23 3.72 -1.26 -4.98 117.46 112.92 1zye n PHE 43 Ca 0.13 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.17 1zye n PHE 43 Cb 0.51 -2.62 -0.06 0.00 -0.94 0.00 0.00 39.48 36.37 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 -2.27 4.96 0.36 4.37 -4.23 -1.25 -5.00 115.64 112.57 1zye s THR 44 Ca 0.00 0.74 0.17 0.00 -1.18 0.00 0.00 61.69 61.42 1zye s THR 44 Cb 0.00 -3.71 0.15 0.00 1.34 0.00 0.00 72.50 70.27 1zye s THR 44 CO 0.00 0.35 1.88 -0.26 -0.54 0.00 0.00 174.62 176.05 1zye h PHE 45 N 3.91 0.00 0.00 3.99 0.04 -1.93 -3.18 116.94 119.77 1zye h PHE 45 Ca -0.49 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.13 1zye h PHE 45 Cb 1.20 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.33 1zye h PHE 45 CO 0.67 0.30 -0.86 0.28 -0.60 0.00 0.00 178.31 178.10 1zye h VAL 46 N 0.00 0.90 0.04 -0.55 2.07 -1.97 -3.41 116.25 113.33 1zye h VAL 46 Ca -0.00 -2.36 -0.25 0.00 0.82 0.00 0.00 66.70 64.91 1zye h VAL 46 Cb 0.60 2.38 0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1zye h VAL 46 CO 0.04 0.51 -1.04 0.00 0.02 0.00 0.00 177.57 177.10 1zye h PRO 48 N 0.23 1.02 -0.80 0.00 0.13 -1.79 -2.91 132.00 127.87 1zye h PRO 48 Ca -0.11 -0.38 0.06 0.00 -0.87 0.00 0.00 66.00 64.70 1zye h PRO 48 Cb 1.70 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.71 1zye h PRO 48 CO 0.18 1.07 0.48 1.79 -0.23 0.00 0.00 178.00 181.30 1zye h THR 49 N 0.89 1.01 -0.38 1.56 1.35 -1.91 0.13 112.91 115.56 1zye h THR 49 Ca 0.14 -0.30 -0.15 0.00 -0.55 0.00 0.00 66.41 65.55 1zye h THR 49 Cb 0.69 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.15 1zye h THR 49 CO 0.05 0.16 -0.34 -0.08 -0.25 0.00 0.00 175.52 175.06 1zye h GLU 50 N 0.88 0.86 -0.13 4.72 4.81 -1.82 -1.20 114.58 122.71 1zye h GLU 50 Ca 0.36 -0.42 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1zye h GLU 50 Cb 0.19 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1zye h GLU 50 CO -0.18 1.07 -0.01 0.82 -0.73 0.00 0.00 179.01 179.98 1zye h ILE 51 N 0.72 1.26 -0.51 2.32 2.04 -1.23 -2.96 117.51 119.15 1zye h ILE 51 Ca 0.07 -0.87 0.09 0.00 1.00 0.00 0.00 64.86 65.15 1zye h ILE 51 Cb 0.91 1.59 -0.07 0.00 -0.74 0.00 0.00 36.82 38.51 1zye h ILE 51 CO 0.08 0.25 0.09 0.40 0.00 0.00 0.00 178.15 178.98 1zye h ILE 52 N -0.05 0.70 -0.76 -0.67 2.04 -0.79 -1.83 117.51 116.15 1zye h ILE 52 Ca 0.03 -0.08 0.17 0.00 1.00 0.00 0.00 64.86 65.99 1zye h ILE 52 Cb 0.39 0.45 -0.12 0.00 -0.74 0.00 0.00 36.82 36.81 1zye h ILE 52 CO 0.01 0.04 0.15 0.00 0.00 0.00 0.00 178.15 178.35 1zye h ALA 53 N 1.41 0.97 -0.16 1.87 0.00 -1.14 -0.47 119.26 121.74 1zye h ALA 53 Ca 0.26 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.32 1zye h ALA 53 Cb 0.36 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1zye h ALA 53 CO -0.35 -0.37 -0.05 0.74 0.00 0.00 0.00 179.25 179.22 1zye h PHE 54 N 0.23 0.35 -0.75 0.00 0.04 -1.25 -2.81 116.94 112.75 1zye h PHE 54 Ca 0.43 -0.08 0.17 0.00 2.80 0.00 0.00 57.97 61.30 1zye h PHE 54 Cb 0.77 -0.08 -0.12 0.00 2.20 0.00 0.00 35.95 38.71 1zye h PHE 54 CO -0.29 0.60 0.07 1.03 -0.60 0.00 0.00 178.31 179.12 1zye h SER 55 N -0.00 -0.21 0.24 2.17 0.87 -0.34 0.30 113.55 116.58 1zye h SER 55 Ca 0.04 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1zye h SER 55 Cb 0.49 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1zye h SER 55 CO 0.02 -0.14 -0.12 0.44 -0.53 0.00 0.00 176.83 176.50 1zye h ASP 56 N 0.16 -0.29 0.00 6.23 3.32 -1.21 -3.11 116.42 121.50 1zye h ASP 56 Ca 0.42 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1zye h ASP 56 Cb 0.75 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1zye h ASP 56 CO -0.61 -0.20 0.00 0.29 -1.72 0.00 0.00 179.24 176.99 1zye n LYS 57 N -2.93 0.36 -0.17 3.56 4.76 -0.96 -4.05 118.16 118.73 1zye n LYS 57 Ca -0.04 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.33 1zye n LYS 57 Cb 0.13 -1.18 -0.02 0.00 -1.84 0.00 0.00 35.03 32.13 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 2.07 -0.21 -0.92 7.82 0.00 -0.87 0.14 119.26 127.29 1zye h ALA 58 Ca 0.00 0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.14 1zye h ALA 58 Cb 0.00 0.83 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1zye h ALA 58 CO 0.00 -0.76 0.59 0.66 0.00 0.00 0.00 179.25 179.74 1zye h SER 59 N -0.23 0.81 -0.90 0.00 4.64 -1.83 -0.91 113.55 115.13 1zye h SER 59 Ca 0.19 0.03 0.16 0.00 -0.47 0.00 0.00 61.79 61.70 1zye h SER 59 Cb 0.56 -0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 62.44 1zye h SER 59 CO -0.63 0.46 0.58 -0.08 -0.87 0.00 0.00 176.83 176.29 1zye h GLU 60 N 0.89 0.64 -0.06 4.77 4.81 -1.27 -0.52 114.58 123.84 1zye h GLU 60 Ca 0.44 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.55 1zye h GLU 60 Cb 0.47 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1zye h GLU 60 CO -0.20 0.42 -0.26 0.74 -0.73 0.00 0.00 179.01 178.98 1zye h PHE 61 N 0.66 0.38 -0.85 0.92 -1.00 -1.05 -3.21 116.94 112.80 1zye h PHE 61 Ca 0.46 -0.16 0.13 0.00 2.81 0.00 0.00 57.97 61.21 1zye h PHE 61 Cb 0.79 -0.06 -0.09 0.00 3.61 0.00 0.00 35.95 40.20 1zye h PHE 61 CO -0.00 0.88 0.45 0.45 -1.61 0.00 0.00 178.31 178.48 1zye h HIS 62 N -0.22 0.80 -0.51 -0.55 3.86 -0.86 0.10 115.15 117.76 1zye h HIS 62 Ca -0.01 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.28 1zye h HIS 62 Cb 0.91 -0.23 -0.05 0.00 1.06 0.00 0.00 27.41 29.10 1zye h HIS 62 CO 0.13 0.23 0.23 -0.44 0.86 0.00 0.00 177.93 178.94 1zye h ASP 63 N 0.67 0.31 -0.19 2.45 3.45 -1.20 -0.75 116.42 121.16 1zye h ASP 63 Ca 0.45 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.95 1zye h ASP 63 Cb 0.59 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.35 1zye h ASP 63 CO -0.33 0.21 0.00 1.33 -1.57 0.00 0.00 179.24 178.88 1zye n VAL 64 N -4.93 0.42 -3.01 -1.35 0.24 -0.72 -4.90 118.33 104.09 1zye n VAL 64 Ca 0.05 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 1zye n VAL 64 Cb 0.17 -0.04 0.06 0.00 -1.47 0.00 0.00 33.84 32.56 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 0.12 -4.86 -3.71 -1.34 5.15 -0.29 -4.92 115.26 105.42 1zye n ASN 65 Ca 0.07 -0.57 -0.19 0.00 -0.60 0.00 0.00 54.58 53.29 1zye n ASN 65 Cb 0.28 -4.38 -0.17 0.00 -0.53 0.00 0.00 39.78 34.98 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 1.84 3.61 -0.11 0.00 0.41 0.15 -2.98 118.70 121.63 1zye s GLU 67 Ca 0.01 0.39 -0.00 0.00 -0.41 0.00 0.00 54.97 54.95 1zye s GLU 67 Cb -0.12 -2.31 0.02 0.00 -1.78 0.00 0.00 34.13 29.94 1zye s GLU 67 CO -0.03 -0.25 -0.07 0.08 -0.49 0.00 0.00 175.26 174.49 1zye s VAL 68 N -2.77 0.96 -0.10 2.63 1.01 -1.26 -0.60 120.40 120.27 1zye s VAL 68 Ca 0.50 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.24 1zye s VAL 68 Cb -0.10 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.30 1zye s VAL 68 CO 0.44 0.35 -0.15 0.54 0.00 0.00 0.00 175.10 176.29 1zye s VAL 69 N 1.67 1.46 0.01 2.92 0.11 -0.53 -2.90 120.40 123.14 1zye s VAL 69 Ca 0.04 -0.63 -0.15 0.00 -2.93 0.00 0.00 61.98 58.31 1zye s VAL 69 Cb -0.13 -1.34 -0.06 0.00 -1.53 0.00 0.00 36.38 33.33 1zye s VAL 69 CO -0.07 0.43 0.43 0.00 -3.33 0.00 0.00 175.10 172.56 1zye s ALA 70 N 0.96 3.68 0.02 1.54 0.00 -0.62 -1.58 121.76 125.77 1zye s ALA 70 Ca -0.07 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.72 1zye s ALA 70 Cb -0.15 -2.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 1zye s ALA 70 CO -0.01 0.47 -0.07 0.54 0.00 0.00 0.00 175.76 176.68 1zye s VAL 71 N -1.07 0.54 0.16 0.00 0.11 0.20 -0.62 120.40 119.71 1zye s VAL 71 Ca 0.24 -0.75 -0.14 0.00 -2.93 0.00 0.00 61.98 58.40 1zye s VAL 71 Cb -0.17 -0.55 0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1zye s VAL 71 CO 0.14 -0.16 0.39 -0.94 -3.33 0.00 0.00 175.10 171.20 1zye s SER 72 N -1.00 -0.14 0.00 3.54 1.04 -1.17 0.01 113.70 115.99 1zye s SER 72 Ca -0.04 -0.55 0.09 0.00 0.48 0.00 0.00 55.95 55.92 1zye s SER 72 Cb -0.07 0.49 0.53 0.00 0.10 0.00 0.00 66.02 67.07 1zye s SER 72 CO 0.00 -0.92 0.95 1.33 0.98 0.00 0.00 173.24 175.58 1zye n VAL 73 N -0.25 0.00 -1.88 5.02 0.24 -1.26 -1.31 118.33 118.90 1zye n VAL 73 Ca -0.12 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.88 1zye n VAL 73 Cb 0.63 -0.74 0.05 0.00 -1.47 0.00 0.00 33.84 32.31 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 -1.94 5.46 0.69 -1.34 1.01 -1.26 -3.98 116.67 115.31 1zye s ASP 74 Ca 0.13 1.14 -0.14 0.00 0.71 0.00 0.00 52.55 54.39 1zye s ASP 74 Cb 0.06 -1.95 0.02 0.00 1.01 0.00 0.00 42.92 42.06 1zye s ASP 74 CO 0.10 -1.33 1.12 -0.94 0.21 0.00 0.00 175.17 174.33 1zye s SER 75 N -4.35 4.84 0.42 0.27 1.04 -1.26 -3.48 113.70 111.18 1zye s SER 75 Ca 0.58 2.01 0.29 0.00 0.48 0.00 0.00 55.95 59.32 1zye s SER 75 Cb -0.11 -2.55 1.22 0.00 0.10 0.00 0.00 66.02 64.68 1zye s SER 75 CO 0.52 -1.82 1.87 1.12 0.98 0.00 0.00 173.24 175.91 1zye h HIS 76 N -0.26 0.00 -0.16 5.02 2.07 -1.93 -1.99 115.15 117.90 1zye h HIS 76 Ca -0.46 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.02 1zye h HIS 76 Cb 1.25 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.22 1zye h HIS 76 CO 0.54 0.00 -0.05 0.74 -3.07 0.00 0.00 177.93 176.09 1zye h PHE 77 N 0.00 0.36 -0.89 6.12 0.04 -1.98 -2.37 116.94 118.22 1zye h PHE 77 Ca 0.00 -0.08 0.08 0.00 2.80 0.00 0.00 57.97 60.77 1zye h PHE 77 Cb 0.43 -0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.43 1zye h PHE 77 CO 0.00 0.60 0.58 0.77 -0.60 0.00 0.00 178.31 179.66 1zye h SER 78 N 0.01 0.85 -0.81 2.17 0.02 -1.77 -0.80 113.55 113.22 1zye h SER 78 Ca 0.04 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1zye h SER 78 Cb 0.49 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 1zye h SER 78 CO 0.02 0.53 0.53 0.45 -1.14 0.00 0.00 176.83 177.22 1zye h HIS 79 N 0.96 1.00 0.67 3.45 3.86 -1.28 -2.48 115.15 121.33 1zye h HIS 79 Ca 0.40 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.60 1zye h HIS 79 Cb 0.28 -0.34 0.01 0.00 1.06 0.00 0.00 27.41 28.42 1zye h HIS 79 CO -0.00 0.62 -0.32 1.25 0.86 0.00 0.00 177.93 180.33 1zye h LEU 80 N 1.07 -0.76 -1.65 2.43 5.85 -0.65 -2.37 115.31 119.21 1zye h LEU 80 Ca 0.30 0.00 0.49 0.00 0.84 0.00 0.00 57.88 59.51 1zye h LEU 80 Cb -0.09 0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.03 1zye h LEU 80 CO -0.08 -0.40 1.07 0.00 -0.34 0.00 0.00 178.44 178.69 1zye h ALA 81 N -1.09 3.20 0.20 1.25 0.00 -1.18 0.25 119.26 121.90 1zye h ALA 81 Ca -0.09 0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.58 1zye h ALA 81 Cb 0.72 0.19 0.03 0.00 0.00 0.00 0.00 17.79 18.73 1zye h ALA 81 CO 0.15 -1.80 -1.25 2.35 0.00 0.00 0.00 179.25 178.70 1zye h TRP 82 N 0.03 0.79 -0.70 0.00 7.01 -1.24 -2.48 115.95 119.36 1zye h TRP 82 Ca 0.86 -0.57 0.07 0.00 2.11 0.00 0.00 58.89 61.36 1zye h TRP 82 Cb 3.06 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 30.02 1zye h TRP 82 CO -0.00 1.48 0.37 0.82 -2.79 0.00 0.00 178.44 178.32 1zye h ILE 83 N -0.07 0.92 0.00 2.65 2.04 -0.51 -1.47 117.51 121.07 1zye h ILE 83 Ca -0.22 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1zye h ILE 83 Cb 1.96 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1zye h ILE 83 CO 0.22 0.12 0.00 0.59 0.00 0.00 0.00 178.15 179.08 1zye n ASN 84 N -4.81 0.00 -4.71 1.72 3.02 -0.11 -2.19 115.26 108.18 1zye n ASN 84 Ca 0.10 -0.35 -0.39 0.00 -0.03 0.00 0.00 54.58 53.90 1zye n ASN 84 Cb 0.22 -0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.17 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 -2.32 5.09 0.25 3.41 2.01 -0.79 -4.95 115.64 118.34 1zye s THR 85 Ca 0.28 1.25 -0.30 0.00 0.31 0.00 0.00 61.69 63.22 1zye s THR 85 Cb 0.16 -3.95 -0.11 0.00 0.01 0.00 0.00 72.50 68.61 1zye s THR 85 CO 0.32 0.25 1.53 -2.84 -0.69 0.00 0.00 174.62 173.19 1zye s PRO 86 N 0.91 4.20 0.29 4.92 0.02 -1.26 -1.57 135.00 142.51 1zye s PRO 86 Ca 0.32 2.43 0.03 0.00 0.02 0.00 0.00 61.00 63.80 1zye s PRO 86 Cb -0.17 -3.08 0.72 0.00 0.02 0.00 0.00 34.50 31.99 1zye s PRO 86 CO 0.14 -0.54 1.66 0.00 -0.33 0.00 0.00 177.00 177.93 1zye h ARG 87 N 5.30 0.26 -0.80 5.54 3.08 -1.84 0.13 114.38 126.05 1zye h ARG 87 Ca -0.46 -0.02 0.19 0.00 0.07 0.00 0.00 59.98 59.76 1zye h ARG 87 Cb 1.22 -0.06 -0.15 0.00 0.08 0.00 0.00 29.97 31.06 1zye h ARG 87 CO 0.81 0.17 -0.11 1.17 -1.07 0.00 0.00 179.97 180.94 1zye n LYS 88 N -5.17 -0.07 -1.39 0.04 4.81 -1.26 -1.37 118.16 113.75 1zye n LYS 88 Ca 0.22 1.23 -0.34 0.00 -0.87 0.00 0.00 58.31 58.55 1zye n LYS 88 Cb 0.68 -1.89 0.08 0.00 0.02 0.00 0.00 35.03 33.92 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 -5.24 7.40 0.00 3.14 3.02 0.44 -4.90 115.26 119.12 1zye n ASN 89 Ca 0.15 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.92 1zye n ASN 89 Cb 0.49 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 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 -0.90 2.35 0.00 7.41 0.00 -0.47 -4.90 105.19 108.67 1zye n GLY 90 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -1.64 0.03 -0.02 0.00 -1.15 -4.88 105.19 95.53 1zye n GLY 91 Ca 0.00 -1.42 -0.04 0.00 0.00 0.00 0.00 46.02 44.56 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 0.72 0.00 0.99 4.77 -0.62 -4.45 117.00 118.41 1zye n LEU 92 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1zye n LEU 92 Cb 0.00 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1zye n LEU 92 CO 0.00 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1zye n GLY 93 N 2.72 0.25 3.64 -0.72 0.00 -0.61 -4.69 105.19 105.77 1zye n GLY 93 Ca -0.12 -0.95 -0.47 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 1.89 -5.13 1.61 -0.00 -1.26 -4.58 115.22 107.75 1zye n HIS 94 Ca 0.00 0.49 -0.30 0.00 -0.00 0.00 0.00 57.72 57.91 1zye n HIS 94 Cb 0.00 -2.41 -0.16 0.00 -0.00 0.00 0.00 29.99 27.41 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 -0.09 2.41 0.00 1.57 0.00 -1.26 -5.01 119.30 116.92 1zye s MET 95 Ca 0.73 -0.81 0.22 0.00 0.00 0.00 0.00 55.69 55.83 1zye s MET 95 Cb -0.74 -2.01 0.00 0.00 0.00 0.00 0.00 34.83 32.08 1zye s MET 95 CO 0.48 0.30 1.08 0.09 0.00 0.00 0.00 175.02 176.97 1zye n ASN 96 N 3.11 2.07 -4.53 1.11 3.02 -1.26 -4.95 115.26 113.84 1zye n ASN 96 Ca -0.18 -1.53 -0.27 0.00 -0.03 0.00 0.00 54.58 52.57 1zye n ASN 96 Cb 0.52 0.45 -0.10 0.00 -0.61 0.00 0.00 39.78 40.04 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 -2.40 2.95 0.28 2.41 -4.36 -1.26 -4.95 121.20 113.87 1zye s ILE 97 Ca 0.19 -1.75 -0.29 0.00 -0.26 0.00 0.00 60.65 58.54 1zye s ILE 97 Cb 0.18 -2.45 -0.10 0.00 1.25 0.00 0.00 42.46 41.34 1zye s ILE 97 CO 0.54 -0.10 1.39 0.00 0.24 0.00 0.00 174.94 177.02 1zye s ALA 98 N -1.66 3.58 -0.43 2.27 0.00 -1.14 -4.89 121.76 119.48 1zye s ALA 98 Ca 0.23 1.31 -0.05 0.00 0.00 0.00 0.00 51.96 53.45 1zye s ALA 98 Cb -0.09 -3.53 0.11 0.00 0.00 0.00 0.00 23.12 19.61 1zye s ALA 98 CO 0.13 -0.72 0.25 -0.51 0.00 0.00 0.00 175.76 174.91 1zye s LEU 99 N -0.91 5.34 -0.12 0.00 1.02 -0.86 -1.60 118.68 121.55 1zye s LEU 99 Ca 0.55 -1.91 -0.24 0.00 0.02 0.00 0.00 54.13 52.55 1zye s LEU 99 Cb -0.41 -1.90 -0.03 0.00 0.02 0.00 0.00 46.19 43.87 1zye s LEU 99 CO 0.47 -0.58 0.76 -0.22 0.02 0.00 0.00 176.35 176.80 1zye s LEU 100 N 1.24 4.25 0.08 1.79 2.96 0.21 0.75 118.68 129.95 1zye s LEU 100 Ca 0.06 1.18 -0.27 0.00 -0.22 0.00 0.00 54.13 54.88 1zye s LEU 100 Cb -0.24 -3.15 -0.06 0.00 0.50 0.00 0.00 46.19 43.24 1zye s LEU 100 CO -0.02 -0.25 0.86 -0.55 -1.32 0.00 0.00 176.35 175.07 1zye s SER 101 N 1.00 7.35 -0.62 3.68 0.15 -0.32 -3.02 113.70 121.92 1zye s SER 101 Ca 0.38 1.62 0.06 0.00 0.70 0.00 0.00 55.95 58.70 1zye s SER 101 Cb -0.17 -2.53 0.29 0.00 -1.71 0.00 0.00 66.02 61.90 1zye s SER 101 CO 0.16 -0.02 0.83 -0.67 1.20 0.00 0.00 173.24 174.73 1zye n ASP 102 N 2.79 4.05 0.24 5.45 2.03 -0.43 -4.48 116.55 126.20 1zye n ASP 102 Ca -0.00 -3.54 0.08 0.00 0.52 0.00 0.00 54.79 51.85 1zye n ASP 102 Cb 0.50 -0.63 0.58 0.00 -0.72 0.00 0.00 41.12 40.85 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 3.70 0.00 -0.89 -2.67 6.46 -1.71 -1.48 115.31 118.72 1zye h LEU 103 Ca 0.17 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1zye h LEU 103 Cb 0.60 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1zye h LEU 103 CO 0.83 0.19 0.00 0.35 -0.62 0.00 0.00 178.44 179.19 1zye n THR 104 N -3.96 0.17 -0.57 1.05 -2.24 -1.26 -4.92 114.28 102.55 1zye n THR 104 Ca -0.02 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1zye n THR 104 Cb 0.27 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.10 -0.20 0.14 -0.78 5.02 -0.56 -4.78 118.16 117.11 1zye n LYS 105 Ca 0.16 0.05 -0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1zye n LYS 105 Cb 0.28 -4.47 0.17 0.00 -0.02 0.00 0.00 35.03 30.99 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 0.12 0.00 0.02 1.97 1.08 -1.91 -0.48 115.11 115.91 1zye h GLN 106 Ca 0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 1zye h GLN 106 Cb 0.10 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1zye h GLN 106 CO 0.00 0.60 -0.60 0.82 -0.95 0.00 0.00 178.83 178.70 1zye h ILE 107 N 0.00 1.45 -0.36 2.54 2.04 -1.89 -0.18 117.51 121.11 1zye h ILE 107 Ca -0.01 -2.13 -0.06 0.00 1.00 0.00 0.00 64.86 63.66 1zye h ILE 107 Cb 1.15 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 39.91 1zye h ILE 107 CO 0.08 0.61 -0.02 0.28 0.00 0.00 0.00 178.15 179.10 1zye h SER 108 N -0.19 0.55 0.42 1.72 0.02 -1.91 -1.48 113.55 112.68 1zye h SER 108 Ca -0.08 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1zye h SER 108 Cb 1.33 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1zye h SER 108 CO 0.12 0.63 -0.29 -0.09 -1.14 0.00 0.00 176.83 176.06 1zye h ARG 109 N 0.55 -0.67 0.00 3.45 2.43 -0.98 -0.63 114.38 118.53 1zye h ARG 109 Ca 0.11 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1zye h ARG 109 Cb 0.38 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1zye h ARG 109 CO 0.01 -0.44 -0.02 -0.44 -1.51 0.00 0.00 179.97 177.57 1zye h ASP 110 N -0.69 0.00 0.08 -3.80 3.32 -0.42 -0.61 116.42 114.29 1zye h ASP 110 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1zye h ASP 110 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1zye h ASP 110 CO 0.02 0.02 -0.09 -1.22 -1.72 0.00 0.00 179.24 176.25 1zye n TYR 111 N -3.12 0.00 -2.47 4.55 4.02 -0.61 -4.50 117.16 115.02 1zye n TYR 111 Ca 0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.76 1zye n TYR 111 Cb 0.32 -0.05 0.01 0.00 -0.02 0.00 0.00 39.34 39.60 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 1.23 -0.13 0.26 2.72 0.00 -0.24 -4.79 105.19 104.24 1zye n GLY 112 Ca 0.17 -0.28 0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.03 0.91 -2.83 1.61 0.24 -0.30 -5.00 118.33 108.93 1zye n VAL 113 Ca -0.12 -0.96 -0.42 0.00 -2.04 0.00 0.00 64.34 60.80 1zye n VAL 113 Cb 0.60 0.55 -0.04 0.00 -1.47 0.00 0.00 33.84 33.48 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 -0.95 4.02 -0.48 1.34 2.96 -0.85 -0.71 118.68 124.01 1zye s LEU 114 Ca 0.09 0.58 -0.28 0.00 -0.22 0.00 0.00 54.13 54.30 1zye s LEU 114 Cb 0.05 -3.23 0.01 0.00 0.50 0.00 0.00 46.19 43.53 1zye s LEU 114 CO 0.07 -0.82 1.41 -0.76 -1.32 0.00 0.00 176.35 174.93 1zye s LEU 115 N 3.38 3.50 0.28 -0.68 1.02 -0.27 -4.88 118.68 121.04 1zye s LEU 115 Ca 0.37 0.57 -0.01 0.00 0.02 0.00 0.00 54.13 55.09 1zye s LEU 115 Cb -0.12 -3.32 0.39 0.00 0.02 0.00 0.00 46.19 43.16 1zye s LEU 115 CO 0.18 -1.56 1.80 -0.33 0.02 0.00 0.00 176.35 176.45 1zye h GLU 116 N 10.90 0.78 0.00 1.70 4.39 -1.95 -0.43 114.58 129.98 1zye h GLU 116 Ca -0.27 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1zye h GLU 116 Cb 1.10 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1zye h GLU 116 CO 1.13 0.75 0.00 0.41 -1.16 0.00 0.00 179.01 180.14 1zye n GLY 117 N -0.77 -3.37 0.13 -3.84 0.00 -1.26 -3.07 105.19 93.01 1zye n GLY 117 Ca 0.03 0.54 -0.02 0.00 0.00 0.00 0.00 46.02 46.57 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 0.01 -0.62 1.61 0.14 -2.00 -3.47 132.00 127.66 1zye h PRO 118 Ca 0.00 -0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.14 1zye h PRO 118 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.14 1zye h PRO 118 CO 0.00 0.64 0.00 0.41 0.14 0.00 0.00 178.00 179.19 1zye n GLY 119 N 0.31 0.97 3.24 1.56 0.00 -0.18 -5.12 105.19 105.97 1zye n GLY 119 Ca -0.01 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.62 1.21 0.31 0.99 2.34 -1.13 -4.94 118.68 116.84 1zye s LEU 120 Ca 0.00 -1.26 -0.06 0.00 0.06 0.00 0.00 54.13 52.87 1zye s LEU 120 Cb 0.00 0.56 -0.05 0.00 -0.56 0.00 0.00 46.19 46.13 1zye s LEU 120 CO 0.00 -0.85 0.59 0.00 -1.06 0.00 0.00 176.35 175.03 1zye s ALA 121 N -4.10 3.58 0.90 1.48 0.00 -1.26 -1.11 121.76 121.24 1zye s ALA 121 Ca 0.32 -0.50 -0.14 0.00 0.00 0.00 0.00 51.96 51.64 1zye s ALA 121 Cb 0.06 -2.37 0.15 0.00 0.00 0.00 0.00 23.12 20.96 1zye s ALA 121 CO 0.08 0.21 1.25 -0.51 0.00 0.00 0.00 175.76 176.79 1zye s LEU 122 N -3.58 2.57 -1.29 0.00 1.43 0.11 -3.51 118.68 114.42 1zye s LEU 122 Ca 0.45 0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 53.93 1zye s LEU 122 Cb -0.11 -2.76 0.13 0.00 0.03 0.00 0.00 46.19 43.49 1zye s LEU 122 CO 0.30 -2.39 1.74 0.54 0.23 0.00 0.00 176.35 176.77 1zye n ARG 123 N -3.59 3.33 -3.49 1.70 1.74 -0.79 -4.27 116.66 111.29 1zye n ARG 123 Ca 0.12 -3.45 -0.34 0.00 -0.77 0.00 0.00 57.85 53.40 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 2.64 2.36 -0.01 -0.13 0.00 -1.24 -1.07 107.32 109.88 1zye s GLY 124 Ca 0.45 -0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.88 1zye s GLY 124 CO 0.01 -0.08 -0.04 -2.27 0.00 0.00 0.00 173.10 170.72 1zye s LEU 125 N -2.08 1.75 -0.03 0.66 0.20 0.13 -0.08 118.68 119.23 1zye s LEU 125 Ca 0.37 -0.08 0.04 0.00 0.69 0.00 0.00 54.13 55.15 1zye s LEU 125 Cb -0.14 -0.26 -0.00 0.00 -0.43 0.00 0.00 46.19 45.35 1zye s LEU 125 CO 0.19 0.01 -0.14 -0.36 -0.29 0.00 0.00 176.35 175.76 1zye s PHE 126 N 0.25 1.37 -0.33 5.38 0.08 0.12 -0.81 117.98 124.05 1zye s PHE 126 Ca -0.02 -0.35 -0.09 0.00 0.12 0.00 0.00 56.93 56.58 1zye s PHE 126 Cb -0.06 -0.93 0.01 0.00 -0.57 0.00 0.00 43.02 41.47 1zye s PHE 126 CO -0.00 -0.11 0.14 0.42 -0.10 0.00 0.00 175.22 175.57 1zye s ILE 127 N 0.01 4.31 -0.19 0.64 1.01 0.42 -1.47 121.20 125.92 1zye s ILE 127 Ca -0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 1zye s ILE 127 Cb -0.09 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 1zye s ILE 127 CO 0.01 -0.05 -0.02 -0.63 0.00 0.00 0.00 174.94 174.25 1zye s ILE 128 N 1.54 3.82 0.74 2.92 1.01 -0.23 -0.09 121.20 130.91 1zye s ILE 128 Ca 0.02 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.20 1zye s ILE 128 Cb -0.18 -2.72 0.03 0.00 0.01 0.00 0.00 42.46 39.61 1zye s ILE 128 CO 0.05 0.44 1.09 1.51 0.00 0.00 0.00 174.94 178.03 1zye s ASP 129 N 0.94 5.10 0.60 3.58 1.47 0.01 -0.54 116.67 127.82 1zye s ASP 129 Ca 0.01 1.23 0.30 0.00 1.18 0.00 0.00 52.55 55.27 1zye s ASP 129 Cb -0.14 -2.02 1.17 0.00 -0.34 0.00 0.00 42.92 41.58 1zye s ASP 129 CO 0.01 -1.58 1.48 1.55 0.68 0.00 0.00 175.17 177.32 1zye h PRO 130 N -0.82 0.00 -0.06 2.11 0.13 -1.66 0.29 132.00 132.00 1zye h PRO 130 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.62 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.48 1zye n ASN 131 N -3.46 1.37 0.00 1.44 4.13 -1.26 -0.18 115.26 117.30 1zye n ASN 131 Ca 0.23 -1.52 0.00 0.00 1.68 0.00 0.00 54.58 54.97 1zye n ASN 131 Cb 1.39 -0.03 0.00 0.00 -1.54 0.00 0.00 39.78 39.60 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 1.13 0.55 3.76 7.41 0.00 0.10 -5.01 105.19 113.13 1zye n GLY 132 Ca 0.18 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 5.10 -0.02 1.61 1.01 -1.25 -0.55 120.40 124.31 1zye s VAL 133 Ca 0.00 0.94 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 1zye s VAL 133 Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1zye s VAL 133 CO 0.00 0.42 1.06 0.27 0.00 0.00 0.00 175.10 176.85 1zye s ILE 134 N 0.00 4.60 -0.13 2.22 -5.25 -0.66 -0.81 121.20 121.16 1zye s ILE 134 Ca 0.25 1.87 0.10 0.00 -0.99 0.00 0.00 60.65 61.89 1zye s ILE 134 Cb -0.16 -4.20 -0.15 0.00 2.95 0.00 0.00 42.46 40.90 1zye s ILE 134 CO 0.12 0.10 0.28 0.29 -1.79 0.00 0.00 174.94 173.93 1zye n LYS 135 N 4.31 1.15 -3.71 0.37 4.76 0.87 -3.00 118.16 122.91 1zye n LYS 135 Ca 0.08 -0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1zye n LYS 135 Cb 0.49 -1.18 -0.09 0.00 -1.84 0.00 0.00 35.03 32.41 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 -2.53 -0.51 -0.01 2.13 5.04 -1.19 -4.98 115.29 113.24 1zye s HIS 136 Ca -0.02 1.23 0.01 0.00 -1.54 0.00 0.00 55.06 54.75 1zye s HIS 136 Cb 0.07 0.18 0.00 0.00 0.04 0.00 0.00 32.58 32.87 1zye s HIS 136 CO 0.43 -0.27 -0.04 -0.48 -2.34 0.00 0.00 174.74 172.04 1zye s LEU 137 N 0.14 1.89 -0.04 8.88 0.05 -1.26 -0.44 118.68 127.91 1zye s LEU 137 Ca -0.01 -0.07 0.06 0.00 0.05 0.00 0.00 54.13 54.16 1zye s LEU 137 Cb -0.03 -0.23 -0.02 0.00 -2.05 0.00 0.00 46.19 43.86 1zye s LEU 137 CO 0.01 0.03 -0.22 -0.44 -0.55 0.00 0.00 176.35 175.18 1zye s SER 138 N 0.07 3.37 -0.07 1.48 0.01 0.01 -4.97 113.70 113.60 1zye s SER 138 Ca -0.00 -0.39 -0.01 0.00 1.31 0.00 0.00 55.95 56.86 1zye s SER 138 Cb -0.03 -0.58 0.03 0.00 0.21 0.00 0.00 66.02 65.64 1zye s SER 138 CO -0.00 0.32 0.00 -0.69 0.41 0.00 0.00 173.24 173.27 1zye s VAL 139 N -0.57 0.36 -0.06 3.43 1.01 -1.26 0.21 120.40 123.52 1zye s VAL 139 Ca 0.08 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 1zye s VAL 139 Cb -0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1zye s VAL 139 CO 0.00 0.25 0.02 0.20 0.00 0.00 0.00 175.10 175.57 1zye s ASN 140 N 1.89 5.31 1.01 3.32 0.01 -0.23 -4.98 114.94 121.27 1zye s ASN 140 Ca 0.04 0.13 -0.19 0.00 -0.71 0.00 0.00 52.86 52.13 1zye s ASN 140 Cb -0.12 -1.49 -0.06 0.00 0.41 0.00 0.00 41.25 39.98 1zye s ASN 140 CO -0.05 0.35 -0.52 -0.67 -1.51 0.00 0.00 177.10 174.70 1zye n ASP 141 N 1.87 -3.59 -0.22 -1.22 2.03 -1.26 -1.88 116.55 112.27 1zye n ASP 141 Ca -0.17 0.11 0.03 0.00 0.52 0.00 0.00 54.79 55.28 1zye n ASP 141 Cb 0.53 -0.85 0.13 0.00 -0.72 0.00 0.00 41.12 40.22 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 -1.36 -0.12 -1.50 -2.67 3.38 -1.97 -3.21 115.31 107.86 1zye h LEU 142 Ca -0.45 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1zye h LEU 142 Cb 1.33 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1zye h LEU 142 CO 0.28 -0.07 0.00 -0.81 0.09 0.00 0.00 178.44 177.94 1zye n PRO 143 N -5.21 2.06 -4.32 1.13 -0.04 -1.26 -4.89 135.00 122.47 1zye n PRO 143 Ca 0.11 -1.29 -0.29 0.00 -0.04 0.00 0.00 63.50 62.00 1zye n PRO 143 Cb 0.39 -1.42 -0.17 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.62 1.50 0.39 0.52 1.01 -1.21 -5.07 120.40 115.93 1zye s VAL 144 Ca 0.23 -0.63 -0.24 0.00 0.00 0.00 0.00 61.98 61.35 1zye s VAL 144 Cb 0.14 -1.39 -0.10 0.00 0.00 0.00 0.00 36.38 35.03 1zye s VAL 144 CO 0.13 0.44 1.00 -0.83 0.00 0.00 0.00 175.10 175.84 1zye s GLY 145 N 1.15 2.65 0.61 4.51 0.00 -1.26 -4.85 107.32 110.13 1zye s GLY 145 Ca -0.03 0.57 -0.15 0.00 0.00 0.00 0.00 44.72 45.12 1zye s GLY 145 CO -0.04 0.96 1.06 0.50 0.00 0.00 0.00 173.10 175.57 1zye s ARG 146 N -2.60 3.25 -0.45 2.90 0.52 -1.26 -5.05 118.95 116.26 1zye s ARG 146 Ca 0.58 1.14 -0.23 0.00 -0.52 0.00 0.00 55.73 56.70 1zye s ARG 146 Cb -0.17 -2.03 0.03 0.00 0.52 0.00 0.00 34.95 33.29 1zye s ARG 146 CO 0.22 -0.86 0.77 0.45 0.02 0.00 0.00 175.30 175.91 1zye s SER 147 N -3.01 6.40 0.28 0.23 0.15 -1.26 -4.94 113.70 111.55 1zye s SER 147 Ca 0.62 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1zye s SER 147 Cb -0.15 -2.38 0.52 0.00 -1.71 0.00 0.00 66.02 62.29 1zye s SER 147 CO 0.41 -0.90 1.84 0.58 1.20 0.00 0.00 173.24 176.36 1zye h VAL 148 N 5.97 0.95 -0.16 4.45 2.07 -1.93 -1.51 116.25 126.10 1zye h VAL 148 Ca -0.25 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 66.94 1zye h VAL 148 Cb 1.09 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1zye h VAL 148 CO 0.95 0.19 0.04 -0.33 0.02 0.00 0.00 177.57 178.44 1zye h GLU 149 N 1.02 0.10 -0.87 1.57 4.39 -1.96 -2.28 114.58 116.56 1zye h GLU 149 Ca 0.48 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.19 1zye h GLU 149 Cb 0.42 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 1zye h GLU 149 CO -0.25 0.07 0.57 1.49 -1.16 0.00 0.00 179.01 179.73 1zye h GLU 150 N 0.11 1.11 -0.51 2.33 4.57 -1.72 -1.43 114.58 119.04 1zye h GLU 150 Ca 0.07 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1zye h GLU 150 Cb 0.05 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 1zye h GLU 150 CO -0.08 0.73 0.33 1.15 -1.18 0.00 0.00 179.01 179.96 1zye h THR 151 N 1.14 1.11 -0.51 0.32 2.02 -1.08 -0.94 112.91 114.98 1zye h THR 151 Ca 0.33 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.23 1zye h THR 151 Cb -0.08 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 1zye h THR 151 CO -0.09 0.12 0.13 0.25 0.37 0.00 0.00 175.52 176.30 1zye h LEU 152 N 0.68 0.76 -0.85 2.58 5.85 -0.82 -0.36 115.31 123.15 1zye h LEU 152 Ca 0.19 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.74 1zye h LEU 152 Cb -0.06 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.71 1zye h LEU 152 CO -0.05 0.79 0.53 -0.09 -0.34 0.00 0.00 178.44 179.28 1zye h ARG 153 N 0.70 0.95 -0.30 1.25 2.43 -0.98 -1.96 114.38 116.47 1zye h ARG 153 Ca 0.16 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1zye h ARG 153 Cb 0.32 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1zye h ARG 153 CO 0.00 0.63 0.03 -0.07 -1.51 0.00 0.00 179.97 179.04 1zye h LEU 154 N 0.97 0.49 -0.52 3.80 3.38 -0.29 -1.12 115.31 122.03 1zye h LEU 154 Ca 0.37 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1zye h LEU 154 Cb 0.15 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1zye h LEU 154 CO -0.17 0.65 0.25 0.58 0.09 0.00 0.00 178.44 179.84 1zye h VAL 155 N 0.31 0.93 -0.44 1.22 2.07 -0.79 -2.27 116.25 117.29 1zye h VAL 155 Ca 0.09 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1zye h VAL 155 Cb 0.38 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1zye h VAL 155 CO 0.01 0.09 0.25 0.11 0.02 0.00 0.00 177.57 178.04 1zye h LYS 156 N 0.48 0.48 -0.95 1.57 1.57 -1.23 -2.59 116.57 115.90 1zye h LYS 156 Ca 0.23 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.07 1zye h LYS 156 Cb 0.16 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.29 1zye h LYS 156 CO -0.18 0.32 0.59 0.00 -0.57 0.00 0.00 179.45 179.61 1zye h ALA 157 N 1.21 1.35 -0.13 3.86 0.00 -0.66 -1.01 119.26 123.89 1zye h ALA 157 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 1zye h ALA 157 Cb 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1zye h ALA 157 CO -0.10 0.29 -0.64 0.74 0.00 0.00 0.00 179.25 179.54 1zye h PHE 158 N 1.02 0.62 0.22 0.00 0.04 -1.13 -2.23 116.94 115.48 1zye h PHE 158 Ca 0.44 -0.25 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 1zye h PHE 158 Cb 0.29 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1zye h PHE 158 CO -0.02 0.99 -0.10 1.96 -0.60 0.00 0.00 178.31 180.53 1zye h GLN 159 N 0.35 -0.28 -0.53 1.51 4.20 -1.02 -2.01 115.11 117.33 1zye h GLN 159 Ca -0.01 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.77 1zye h GLN 159 Cb 1.20 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.98 1zye h GLN 159 CO 0.12 -0.11 -0.36 0.35 -0.67 0.00 0.00 178.83 178.16 1zye h PHE 160 N -0.39 -1.13 0.00 2.96 3.04 -1.19 0.13 116.94 120.35 1zye h PHE 160 Ca -0.03 0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1zye h PHE 160 Cb 0.30 0.56 0.00 0.00 2.56 0.00 0.00 35.95 39.37 1zye h PHE 160 CO -0.03 -0.24 0.00 1.55 -2.02 0.00 0.00 178.31 177.56 1zye n VAL 161 N -4.37 0.29 -0.30 1.41 3.14 -0.84 -1.42 118.33 116.25 1zye n VAL 161 Ca 0.00 0.07 0.08 0.00 -2.96 0.00 0.00 64.34 61.53 1zye n VAL 161 Cb 0.17 -0.93 0.22 0.00 -1.06 0.00 0.00 33.84 32.24 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 -1.10 2.89 0.00 1.45 2.13 0.43 -5.07 120.64 121.37 1zye n GLU 162 Ca 0.06 -2.31 0.00 0.00 0.66 0.00 0.00 57.16 55.57 1zye n GLU 162 Cb 0.05 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 30.34 1zye n GLU 162 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72