#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 1.82 -1.27 0.55 0.00 -1.26 -4.98 121.76 116.62 1zye s ALA 3 Ca 0.00 -1.88 -0.18 0.00 0.00 0.00 0.00 51.96 49.91 1zye s ALA 3 Cb 0.00 0.91 0.09 0.00 0.00 0.00 0.00 23.12 24.12 1zye s ALA 3 CO 0.00 -0.41 1.67 0.08 0.00 0.00 0.00 175.76 177.10 1zye s VAL 4 N -3.64 4.27 0.00 0.00 1.01 -1.26 -2.67 120.40 118.10 1zye s VAL 4 Ca 0.36 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.35 1zye s VAL 4 Cb 0.08 -5.14 0.00 0.00 0.00 0.00 0.00 36.38 31.32 1zye s VAL 4 CO 0.13 -1.95 0.00 0.35 0.00 0.00 0.00 175.10 173.63 1zye n THR 5 N 6.11 0.00 -3.26 3.92 -2.24 -1.09 -4.95 114.28 112.77 1zye n THR 5 Ca 0.46 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 62.06 1zye n THR 5 Cb 0.46 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 2.90 0.31 -0.78 -0.21 -1.09 -4.83 119.66 115.96 1zye s GLN 6 Ca 0.00 -1.19 -0.28 0.00 0.02 0.00 0.00 55.36 53.91 1zye s GLN 6 Cb 0.00 -2.73 -0.09 0.00 1.00 0.00 0.00 33.01 31.18 1zye s GLN 6 CO 0.00 -0.13 1.11 -1.01 -2.12 0.00 0.00 175.29 173.14 1zye s HIS 7 N -2.30 3.46 0.32 0.91 3.76 -1.26 -1.38 115.29 118.80 1zye s HIS 7 Ca 0.50 1.67 -0.29 0.00 -0.15 0.00 0.00 55.06 56.79 1zye s HIS 7 Cb -0.09 -3.29 -0.10 0.00 1.11 0.00 0.00 32.58 30.20 1zye s HIS 7 CO 0.32 -0.69 1.37 0.00 -0.85 0.00 0.00 174.74 174.88 1zye s ALA 8 N -1.25 3.54 0.49 -1.40 0.00 0.15 -4.81 121.76 118.48 1zye s ALA 8 Ca 0.48 1.34 -0.22 0.00 0.00 0.00 0.00 51.96 53.56 1zye s ALA 8 Cb -0.31 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.21 1zye s ALA 8 CO 0.40 -0.75 0.98 -2.30 0.00 0.00 0.00 175.76 174.09 1zye n PRO 9 N 1.07 1.19 -1.74 0.00 -0.02 -1.26 -4.94 135.00 129.31 1zye n PRO 9 Ca 0.02 0.44 -0.36 0.00 -2.02 0.00 0.00 63.50 61.57 1zye n PRO 9 Cb 0.41 -2.10 0.07 0.00 -0.02 0.00 0.00 33.50 31.86 1zye n PRO 9 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1zye s TYR 10 N -1.38 2.12 -0.09 6.00 5.04 -1.26 -4.96 117.35 122.82 1zye s TYR 10 Ca 0.68 1.51 -0.10 0.00 -2.44 0.00 0.00 57.07 56.71 1zye s TYR 10 Cb -0.49 -3.63 0.03 0.00 0.35 0.00 0.00 41.96 38.21 1zye s TYR 10 CO 0.53 -2.77 0.28 -0.59 -1.34 0.00 0.00 175.55 171.67 1zye s PHE 11 N -1.52 -0.27 0.10 4.97 -0.12 -1.26 -4.99 117.98 114.88 1zye s PHE 11 Ca 0.81 0.63 0.03 0.00 -0.05 0.00 0.00 56.93 58.35 1zye s PHE 11 Cb -0.35 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 1zye s PHE 11 CO 0.39 -0.19 -0.09 0.21 -0.05 0.00 0.00 175.22 175.49 1zye s LYS 12 N -0.15 0.83 0.00 1.99 2.20 -1.26 -1.48 119.74 121.86 1zye s LYS 12 Ca -0.03 -1.17 0.00 0.00 -0.36 0.00 0.00 55.97 54.41 1zye s LYS 12 Cb -0.03 -0.48 0.00 0.00 -1.51 0.00 0.00 37.83 35.81 1zye s LYS 12 CO 0.01 0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.48 1zye n GLY 13 N 0.50 2.22 3.70 5.54 0.00 -0.89 -4.99 105.19 111.27 1zye n GLY 13 Ca -0.16 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 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 4.80 0.27 2.61 2.01 -1.26 -1.77 115.64 120.29 1zye s THR 14 Ca 0.00 2.02 0.12 0.00 0.31 0.00 0.00 61.69 64.13 1zye s THR 14 Cb 0.00 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 1zye s THR 14 CO 0.00 0.12 -0.18 0.00 -0.69 0.00 0.00 174.62 173.88 1zye s ALA 15 N 1.24 2.78 -0.64 7.40 0.00 -0.03 -0.99 121.76 131.53 1zye s ALA 15 Ca 0.52 -1.81 -0.19 0.00 0.00 0.00 0.00 51.96 50.47 1zye s ALA 15 Cb -0.21 -0.35 0.10 0.00 0.00 0.00 0.00 23.12 22.66 1zye s ALA 15 CO 0.26 0.30 0.79 0.08 0.00 0.00 0.00 175.76 177.19 1zye s VAL 16 N -2.36 4.73 -0.11 0.00 1.01 0.39 -0.96 120.40 123.10 1zye s VAL 16 Ca 0.29 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1zye s VAL 16 Cb -0.06 -4.55 -0.01 0.00 0.00 0.00 0.00 36.38 31.76 1zye s VAL 16 CO 0.15 -1.22 -0.01 0.58 0.00 0.00 0.00 175.10 174.59 1zye h VAL 17 N 5.89 0.02 0.00 2.92 2.07 -1.12 -2.67 116.25 123.36 1zye h VAL 17 Ca -0.25 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1zye h VAL 17 Cb 1.08 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1zye h VAL 17 CO 1.11 0.01 0.00 -1.20 0.02 0.00 0.00 177.57 177.51 1zye n SER 18 N -4.76 0.00 -1.09 0.57 7.64 -1.26 -4.69 113.62 110.03 1zye n SER 18 Ca -0.01 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.97 1zye n SER 18 Cb 0.04 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.49 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 4.27 2.32 3.44 0.23 0.00 -1.26 -4.90 105.19 109.29 1zye n GLY 19 Ca 0.00 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.09 1.57 0.16 1.61 2.02 -1.26 -5.10 118.70 116.61 1zye s GLU 20 Ca 0.39 -1.57 -0.30 0.00 0.02 0.00 0.00 54.97 53.51 1zye s GLU 20 Cb 0.21 -1.84 -0.07 0.00 0.10 0.00 0.00 34.13 32.53 1zye s GLU 20 CO 0.28 0.38 0.96 -0.06 0.02 0.00 0.00 175.26 176.84 1zye s PHE 21 N -1.86 3.86 -0.12 1.61 0.08 -1.26 -0.53 117.98 119.75 1zye s PHE 21 Ca 0.23 1.83 -0.09 0.00 0.12 0.00 0.00 56.93 59.02 1zye s PHE 21 Cb -0.07 -3.04 0.04 0.00 -0.57 0.00 0.00 43.02 39.37 1zye s PHE 21 CO 0.11 0.24 0.31 0.21 -0.10 0.00 0.00 175.22 175.99 1zye s LYS 22 N -0.40 0.32 0.04 0.44 2.20 -0.14 -4.88 119.74 117.32 1zye s LYS 22 Ca 0.45 0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 56.28 1zye s LYS 22 Cb -0.25 0.06 -0.07 0.00 -1.51 0.00 0.00 37.83 36.07 1zye s LYS 22 CO 0.31 -0.10 1.44 -1.21 -0.36 0.00 0.00 175.35 175.44 1zye s GLU 23 N 0.69 4.28 0.02 4.03 0.41 -1.26 -0.85 118.70 126.02 1zye s GLU 23 Ca -0.04 2.06 0.03 0.00 -0.41 0.00 0.00 54.97 56.61 1zye s GLU 23 Cb -0.06 -3.51 -0.01 0.00 -1.78 0.00 0.00 34.13 28.77 1zye s GLU 23 CO -0.04 -0.57 -0.10 0.96 -0.49 0.00 0.00 175.26 175.01 1zye s ILE 24 N 2.16 0.80 0.26 -1.63 -4.36 -0.73 -4.95 121.20 112.75 1zye s ILE 24 Ca 0.66 -0.71 0.01 0.00 -0.26 0.00 0.00 60.65 60.35 1zye s ILE 24 Cb -0.34 -0.72 -0.05 0.00 1.25 0.00 0.00 42.46 42.59 1zye s ILE 24 CO 0.28 0.02 0.09 -0.94 0.24 0.00 0.00 174.94 174.64 1zye s SER 25 N -0.77 1.24 0.45 4.36 1.04 -1.26 -2.08 113.70 116.67 1zye s SER 25 Ca 0.00 -1.38 0.15 0.00 0.48 0.00 0.00 55.95 55.20 1zye s SER 25 Cb -0.06 0.15 1.08 0.00 0.10 0.00 0.00 66.02 67.29 1zye s SER 25 CO 0.00 -0.73 1.99 0.25 0.98 0.00 0.00 173.24 175.74 1zye h LEU 26 N 2.37 0.31 -1.71 2.42 5.85 -1.63 -2.21 115.31 120.70 1zye h LEU 26 Ca -0.38 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 1zye h LEU 26 Cb 1.25 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1zye h LEU 26 CO 0.61 0.19 0.03 0.44 -0.34 0.00 0.00 178.44 179.37 1zye h ASP 27 N 0.34 0.19 0.18 1.25 3.32 -1.96 -2.05 116.42 117.69 1zye h ASP 27 Ca 0.26 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1zye h ASP 27 Cb 0.58 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1zye h ASP 27 CO -0.07 0.20 0.00 0.47 -1.72 0.00 0.00 179.24 178.13 1zye n ASP 28 N -4.44 0.36 -0.56 6.45 8.00 -0.83 -1.68 116.55 123.85 1zye n ASP 28 Ca -0.01 0.64 0.05 0.00 0.71 0.00 0.00 54.79 56.19 1zye n ASP 28 Cb 0.14 -0.70 0.13 0.00 -0.02 0.00 0.00 41.12 40.66 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 -1.96 0.38 -1.65 1.24 3.72 -0.77 -4.96 117.46 113.47 1zye n PHE 29 Ca 0.00 -0.46 -0.46 0.00 -0.05 0.00 0.00 57.45 56.48 1zye n PHE 29 Cb 0.07 -0.03 -0.03 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 0.42 1.81 -1.00 -1.08 3.00 -0.68 -1.46 118.16 119.18 1zye n LYS 30 Ca 0.10 0.65 0.00 0.00 -0.00 0.00 0.00 58.31 59.06 1zye n LYS 30 Cb 0.40 -2.29 0.00 0.00 0.00 0.00 0.00 35.03 33.14 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 2.34 0.23 3.35 3.14 0.00 0.31 -4.99 105.19 109.56 1zye n GLY 31 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.10 1.34 0.20 1.61 1.02 -0.53 -4.80 119.74 117.47 1zye s LYS 32 Ca 0.00 -1.60 -0.26 0.00 0.02 0.00 0.00 55.97 54.13 1zye s LYS 32 Cb 0.00 -1.11 -0.08 0.00 -0.52 0.00 0.00 37.83 36.11 1zye s LYS 32 CO 0.00 0.17 0.82 0.71 -0.92 0.00 0.00 175.35 176.13 1zye s TYR 33 N -2.98 3.89 -0.09 3.18 1.51 -0.77 -2.40 117.35 119.69 1zye s TYR 33 Ca 0.23 1.68 0.03 0.00 -1.01 0.00 0.00 57.07 58.00 1zye s TYR 33 Cb -0.00 -2.81 0.01 0.00 -0.11 0.00 0.00 41.96 39.05 1zye s TYR 33 CO 0.07 0.47 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.65 1zye s LEU 34 N -1.29 1.79 -0.49 -1.29 0.20 0.33 0.29 118.68 118.21 1zye s LEU 34 Ca 0.38 -0.41 -0.12 0.00 0.69 0.00 0.00 54.13 54.68 1zye s LEU 34 Cb -0.23 -1.06 0.12 0.00 -0.43 0.00 0.00 46.19 44.59 1zye s LEU 34 CO 0.27 0.06 0.40 -0.69 -0.29 0.00 0.00 176.35 176.10 1zye s VAL 35 N 0.67 4.57 -0.24 1.68 1.01 -0.03 -0.57 120.40 127.50 1zye s VAL 35 Ca -0.13 -1.68 -0.13 0.00 0.00 0.00 0.00 61.98 60.04 1zye s VAL 35 Cb -0.16 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1zye s VAL 35 CO 0.04 -0.80 0.30 -0.22 0.00 0.00 0.00 175.10 174.41 1zye s LEU 36 N 1.45 4.09 0.01 3.92 2.96 -0.57 -1.76 118.68 128.78 1zye s LEU 36 Ca 0.05 0.27 0.01 0.00 -0.22 0.00 0.00 54.13 54.24 1zye s LEU 36 Cb -0.27 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 1zye s LEU 36 CO 0.01 -0.07 -0.03 0.72 -1.32 0.00 0.00 176.35 175.66 1zye s PHE 37 N 1.52 0.25 -0.00 5.38 -0.71 -0.76 -0.03 117.98 123.63 1zye s PHE 37 Ca 0.13 -0.15 0.01 0.00 -1.04 0.00 0.00 56.93 55.88 1zye s PHE 37 Cb -0.15 -0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.46 1zye s PHE 37 CO 0.08 -0.04 0.03 -0.06 -1.34 0.00 0.00 175.22 173.89 1zye s PHE 38 N -0.36 3.15 0.08 3.49 0.40 0.13 -0.22 117.98 124.64 1zye s PHE 38 Ca -0.02 0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.45 1zye s PHE 38 Cb -0.03 -1.69 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 1zye s PHE 38 CO -0.00 0.49 -0.08 1.52 0.70 0.00 0.00 175.22 177.85 1zye s TYR 39 N -1.13 0.87 0.00 0.36 1.13 -0.04 -3.52 117.35 115.02 1zye s TYR 39 Ca 0.21 -0.69 0.00 0.00 -1.41 0.00 0.00 57.07 55.17 1zye s TYR 39 Cb -0.12 -0.50 0.00 0.00 -1.10 0.00 0.00 41.96 40.25 1zye s TYR 39 CO 0.12 -0.08 0.49 -2.30 -2.51 0.00 0.00 175.55 171.27 1zye n PRO 40 N 0.66 0.00 -4.00 -3.49 -0.02 -1.24 -4.31 135.00 122.61 1zye n PRO 40 Ca -0.17 0.13 -0.09 0.00 -2.02 0.00 0.00 63.50 61.35 1zye n PRO 40 Cb 0.58 -0.99 -0.11 0.00 -0.02 0.00 0.00 33.50 32.95 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 -1.25 2.26 0.72 2.45 1.43 -1.26 -4.00 118.68 119.02 1zye s LEU 41 Ca 0.00 -0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 52.43 1zye s LEU 41 Cb 0.00 0.07 0.03 0.00 0.03 0.00 0.00 46.19 46.32 1zye s LEU 41 CO 0.00 -0.30 1.13 -1.81 0.23 0.00 0.00 176.35 175.60 1zye s ASP 42 N -1.55 4.60 -1.86 2.29 1.01 -1.26 -3.78 116.67 116.12 1zye s ASP 42 Ca -0.14 2.07 0.00 0.00 0.71 0.00 0.00 52.55 55.19 1zye s ASP 42 Cb -0.09 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1zye s ASP 42 CO -0.01 -1.97 0.00 0.49 0.21 0.00 0.00 175.17 173.88 1zye n PHE 43 N -2.83 -0.23 -3.69 4.23 3.72 -1.26 -4.99 117.46 112.41 1zye n PHE 43 Ca 0.11 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.17 1zye n PHE 43 Cb 0.52 -3.27 -0.05 0.00 -0.94 0.00 0.00 39.48 35.74 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 5.21 0.38 4.37 -4.23 -1.25 -5.00 115.64 112.38 1zye s THR 44 Ca 0.00 0.24 0.21 0.00 -1.18 0.00 0.00 61.69 60.96 1zye s THR 44 Cb 0.00 -3.60 0.22 0.00 1.34 0.00 0.00 72.50 70.45 1zye s THR 44 CO 0.00 0.30 1.97 -0.26 -0.54 0.00 0.00 174.62 176.09 1zye h PHE 45 N 3.74 0.00 0.03 3.99 0.04 -1.94 -3.24 116.94 119.57 1zye h PHE 45 Ca -0.49 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.05 1zye h PHE 45 Cb 1.19 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.32 1zye h PHE 45 CO 0.67 0.21 -1.11 0.28 -0.60 0.00 0.00 178.31 177.75 1zye h VAL 46 N 0.00 1.60 0.05 -0.55 2.07 -1.97 -3.41 116.25 114.04 1zye h VAL 46 Ca -0.00 -3.29 -0.23 0.00 0.82 0.00 0.00 66.70 64.00 1zye h VAL 46 Cb 0.46 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1zye h VAL 46 CO 0.03 0.92 -1.04 0.00 0.02 0.00 0.00 177.57 177.50 1zye h PRO 48 N 0.09 0.40 -0.66 0.00 0.13 -1.80 -3.02 132.00 127.14 1zye h PRO 48 Ca -0.08 -0.18 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1zye h PRO 48 Cb 1.73 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.82 1zye h PRO 48 CO 0.16 0.72 0.33 1.79 -0.23 0.00 0.00 178.00 180.77 1zye h THR 49 N 0.34 1.22 -0.45 1.56 1.35 -1.91 -0.59 112.91 114.43 1zye h THR 49 Ca 0.04 -0.61 -0.14 0.00 -0.55 0.00 0.00 66.41 65.15 1zye h THR 49 Cb 0.81 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.62 1zye h THR 49 CO 0.07 0.25 -0.26 -0.08 -0.25 0.00 0.00 175.52 175.25 1zye h GLU 50 N 0.92 0.96 -0.22 4.72 4.81 -1.83 -1.06 114.58 122.87 1zye h GLU 50 Ca 0.23 -0.43 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1zye h GLU 50 Cb 0.10 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1zye h GLU 50 CO -0.03 1.10 -0.01 0.82 -0.73 0.00 0.00 179.01 180.15 1zye h ILE 51 N 0.82 1.26 -0.30 2.32 2.04 -1.44 -2.96 117.51 119.25 1zye h ILE 51 Ca 0.10 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 65.08 1zye h ILE 51 Cb 0.84 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 1zye h ILE 51 CO 0.07 0.28 0.03 0.40 0.00 0.00 0.00 178.15 178.94 1zye h ILE 52 N 0.16 0.82 -0.80 -0.67 2.04 -1.10 -1.95 117.51 116.01 1zye h ILE 52 Ca 0.06 -0.04 0.19 0.00 1.00 0.00 0.00 64.86 66.07 1zye h ILE 52 Cb 0.43 0.68 -0.14 0.00 -0.74 0.00 0.00 36.82 37.05 1zye h ILE 52 CO 0.01 0.02 0.05 0.00 0.00 0.00 0.00 178.15 178.23 1zye h ALA 53 N 1.24 0.90 -0.28 1.87 0.00 -1.12 -0.11 119.26 121.76 1zye h ALA 53 Ca 0.14 0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 1zye h ALA 53 Cb 0.17 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1zye h ALA 53 CO -0.21 -0.44 -0.06 0.74 0.00 0.00 0.00 179.25 179.28 1zye h PHE 54 N 0.12 0.60 -0.83 0.00 0.04 -1.27 -2.74 116.94 112.86 1zye h PHE 54 Ca 0.45 -0.13 0.12 0.00 2.80 0.00 0.00 57.97 61.22 1zye h PHE 54 Cb 0.83 -0.15 -0.08 0.00 2.20 0.00 0.00 35.95 38.75 1zye h PHE 54 CO -0.40 0.73 0.44 1.03 -0.60 0.00 0.00 178.31 179.51 1zye h SER 55 N 0.30 0.58 0.14 2.17 0.87 -0.41 -0.39 113.55 116.81 1zye h SER 55 Ca 0.07 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1zye h SER 55 Cb 0.53 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1zye h SER 55 CO 0.03 0.29 -0.07 0.44 -0.53 0.00 0.00 176.83 176.98 1zye h ASP 56 N 0.68 -0.16 0.00 6.23 3.32 -1.04 -3.11 116.42 122.35 1zye h ASP 56 Ca 0.43 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1zye h ASP 56 Cb 0.52 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1zye h ASP 56 CO -0.31 -0.11 0.00 0.29 -1.72 0.00 0.00 179.24 177.39 1zye n LYS 57 N -2.54 0.29 -0.20 3.56 4.76 -1.04 -4.05 118.16 118.94 1zye n LYS 57 Ca -0.02 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.40 1zye n LYS 57 Cb 0.07 -1.16 0.05 0.00 -1.84 0.00 0.00 35.03 32.16 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 1.89 0.37 -0.81 7.82 0.00 -0.99 -0.34 119.26 127.21 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 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1zye h ALA 58 CO 0.00 -0.44 0.48 0.66 0.00 0.00 0.00 179.25 179.95 1zye h SER 59 N -0.01 0.73 -0.97 0.00 4.64 -1.84 -0.79 113.55 115.32 1zye h SER 59 Ca 0.28 0.03 0.24 0.00 -0.47 0.00 0.00 61.79 61.87 1zye h SER 59 Cb 0.45 -0.12 -0.13 0.00 -0.31 0.00 0.00 62.40 62.29 1zye h SER 59 CO -0.62 0.46 0.52 -0.33 -0.87 0.00 0.00 176.83 175.99 1zye h GLU 60 N 0.86 0.48 -0.08 4.77 5.08 -1.36 0.28 114.58 124.61 1zye h GLU 60 Ca 0.36 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 1zye h GLU 60 Cb 0.22 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1zye h GLU 60 CO -0.19 0.32 -0.10 0.74 -1.00 0.00 0.00 179.01 178.78 1zye h PHE 61 N 0.50 0.25 -0.58 4.33 -1.00 -1.08 -3.12 116.94 116.24 1zye h PHE 61 Ca 0.62 -0.08 0.12 0.00 2.81 0.00 0.00 57.97 61.44 1zye h PHE 61 Cb 1.20 -0.05 -0.09 0.00 3.61 0.00 0.00 35.95 40.62 1zye h PHE 61 CO -0.05 0.67 0.02 0.45 -1.61 0.00 0.00 178.31 177.78 1zye h HIS 62 N -0.23 0.00 -0.54 -0.55 3.86 -0.47 -0.50 115.15 116.72 1zye h HIS 62 Ca 0.01 0.04 0.09 0.00 -1.16 0.00 0.00 60.37 59.35 1zye h HIS 62 Cb 0.63 0.09 -0.07 0.00 1.06 0.00 0.00 27.41 29.12 1zye h HIS 62 CO 0.10 -0.13 0.14 -0.44 0.86 0.00 0.00 177.93 178.46 1zye h ASP 63 N 0.14 0.07 -0.13 2.45 3.45 -1.04 0.23 116.42 121.59 1zye h ASP 63 Ca 0.30 0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.84 1zye h ASP 63 Cb 0.47 0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.34 1zye h ASP 63 CO -0.47 0.06 0.01 1.33 -1.57 0.00 0.00 179.24 178.59 1zye n VAL 64 N -5.08 0.66 -3.13 -1.35 0.24 -0.72 -4.88 118.33 104.08 1zye n VAL 64 Ca 0.07 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 1zye n VAL 64 Cb 0.26 -0.47 0.07 0.00 -1.47 0.00 0.00 33.84 32.22 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 0.14 -2.76 -3.87 -1.34 5.15 0.82 -4.91 115.26 108.49 1zye n ASN 65 Ca 0.07 -0.45 -0.21 0.00 -0.60 0.00 0.00 54.58 53.39 1zye n ASN 65 Cb 0.48 -3.95 -0.17 0.00 -0.53 0.00 0.00 39.78 35.61 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 1.16 3.62 -0.11 0.00 0.41 0.14 -2.92 118.70 121.00 1zye s GLU 67 Ca -0.07 0.16 -0.01 0.00 -0.41 0.00 0.00 54.97 54.64 1zye s GLU 67 Cb -0.14 -2.48 0.03 0.00 -1.78 0.00 0.00 34.13 29.76 1zye s GLU 67 CO -0.01 -0.02 -0.04 0.08 -0.49 0.00 0.00 175.26 174.78 1zye s VAL 68 N -2.43 0.81 -0.12 2.63 1.01 -1.26 -0.85 120.40 120.19 1zye s VAL 68 Ca 0.47 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.24 1zye s VAL 68 Cb -0.10 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.37 1zye s VAL 68 CO 0.36 0.28 -0.16 0.54 0.00 0.00 0.00 175.10 176.12 1zye s VAL 69 N 1.79 1.63 0.24 2.92 0.11 -0.72 -3.26 120.40 123.10 1zye s VAL 69 Ca 0.04 -0.71 -0.14 0.00 -2.93 0.00 0.00 61.98 58.25 1zye s VAL 69 Cb -0.13 -1.48 -0.08 0.00 -1.53 0.00 0.00 36.38 33.16 1zye s VAL 69 CO -0.07 0.47 0.63 0.00 -3.33 0.00 0.00 175.10 172.79 1zye s ALA 70 N 1.07 3.47 -0.02 1.54 0.00 -0.69 -1.83 121.76 125.30 1zye s ALA 70 Ca -0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.78 1zye s ALA 70 Cb -0.14 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.37 1zye s ALA 70 CO -0.04 0.42 0.13 0.54 0.00 0.00 0.00 175.76 176.81 1zye s VAL 71 N -1.75 0.05 0.21 0.00 0.11 0.69 -0.49 120.40 119.22 1zye s VAL 71 Ca 0.47 -0.43 -0.17 0.00 -2.93 0.00 0.00 61.98 58.91 1zye s VAL 71 Cb -0.12 -0.34 0.02 0.00 -1.53 0.00 0.00 36.38 34.41 1zye s VAL 71 CO 0.19 -0.24 0.53 -0.94 -3.33 0.00 0.00 175.10 171.32 1zye s SER 72 N -0.81 -0.22 0.00 3.54 1.04 -1.19 -0.86 113.70 115.19 1zye s SER 72 Ca -0.09 -0.58 0.09 0.00 0.48 0.00 0.00 55.95 55.85 1zye s SER 72 Cb -0.05 0.60 0.56 0.00 0.10 0.00 0.00 66.02 67.22 1zye s SER 72 CO 0.01 -1.10 1.04 1.33 0.98 0.00 0.00 173.24 175.50 1zye n VAL 73 N -0.36 0.00 -1.86 5.02 0.24 -1.26 -1.23 118.33 118.88 1zye n VAL 73 Ca -0.08 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.91 1zye n VAL 73 Cb 0.62 -0.47 0.02 0.00 -1.47 0.00 0.00 33.84 32.54 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 -1.72 6.08 0.63 -1.34 1.01 -1.26 -3.98 116.67 116.09 1zye s ASP 74 Ca 0.14 1.39 -0.17 0.00 0.71 0.00 0.00 52.55 54.62 1zye s ASP 74 Cb 0.06 -2.40 -0.01 0.00 1.01 0.00 0.00 42.92 41.59 1zye s ASP 74 CO 0.11 -0.97 1.14 -0.94 0.21 0.00 0.00 175.17 174.72 1zye s SER 75 N -4.19 5.14 0.35 0.27 1.04 -1.26 -3.54 113.70 111.52 1zye s SER 75 Ca 0.56 2.14 0.26 0.00 0.48 0.00 0.00 55.95 59.39 1zye s SER 75 Cb -0.11 -2.57 1.18 0.00 0.10 0.00 0.00 66.02 64.62 1zye s SER 75 CO 0.54 -1.61 1.79 1.12 0.98 0.00 0.00 173.24 176.06 1zye h HIS 76 N 0.38 0.00 -0.17 5.02 2.07 -1.93 -1.91 115.15 118.61 1zye h HIS 76 Ca -0.48 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 56.96 1zye h HIS 76 Cb 1.26 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.24 1zye h HIS 76 CO 0.52 0.00 -0.19 0.74 -3.07 0.00 0.00 177.93 175.92 1zye h PHE 77 N 0.00 0.51 -0.95 6.12 0.04 -1.98 -2.33 116.94 118.36 1zye h PHE 77 Ca 0.00 -0.16 0.05 0.00 2.80 0.00 0.00 57.97 60.66 1zye h PHE 77 Cb 0.30 -0.11 -0.06 0.00 2.20 0.00 0.00 35.95 38.29 1zye h PHE 77 CO 0.00 0.82 0.61 0.77 -0.60 0.00 0.00 178.31 179.90 1zye h SER 78 N 0.06 0.98 0.02 2.17 0.02 -1.73 -1.34 113.55 113.74 1zye h SER 78 Ca 0.02 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1zye h SER 78 Cb 0.74 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 1zye h SER 78 CO 0.05 0.65 -0.23 0.45 -1.14 0.00 0.00 176.83 176.61 1zye h HIS 79 N 1.13 -0.60 0.47 3.45 3.86 -1.37 -1.35 115.15 120.75 1zye h HIS 79 Ca 0.40 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.61 1zye h HIS 79 Cb 0.11 0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 1zye h HIS 79 CO -0.01 -0.32 -0.48 1.25 0.86 0.00 0.00 177.93 179.24 1zye h LEU 80 N -0.37 -1.30 -1.21 2.43 5.85 -0.98 -0.95 115.31 118.77 1zye h LEU 80 Ca 0.05 0.11 0.37 0.00 0.84 0.00 0.00 57.88 59.25 1zye h LEU 80 Cb 0.44 0.43 -0.14 0.00 0.37 0.00 0.00 40.66 41.76 1zye h LEU 80 CO -0.19 -0.64 0.69 0.00 -0.34 0.00 0.00 178.44 177.97 1zye h ALA 81 N -0.74 2.33 -0.04 1.25 0.00 -1.13 0.16 119.26 121.09 1zye h ALA 81 Ca -0.05 0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1zye h ALA 81 Cb 0.84 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1zye h ALA 81 CO -0.07 -0.95 -0.73 2.35 0.00 0.00 0.00 179.25 179.86 1zye h TRP 82 N 0.19 0.80 -0.81 0.00 7.01 -0.52 -2.38 115.95 120.24 1zye h TRP 82 Ca 0.77 -0.41 0.11 0.00 2.11 0.00 0.00 58.89 61.46 1zye h TRP 82 Cb 2.09 -0.10 -0.08 0.00 -2.10 0.00 0.00 29.16 28.97 1zye h TRP 82 CO -0.01 1.23 0.44 0.82 -2.79 0.00 0.00 178.44 178.13 1zye h ILE 83 N 0.14 0.85 0.00 2.65 2.04 0.25 -1.70 117.51 121.75 1zye h ILE 83 Ca -0.08 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1zye h ILE 83 Cb 1.40 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1zye h ILE 83 CO 0.14 0.13 0.00 0.59 0.00 0.00 0.00 178.15 179.01 1zye n ASN 84 N -4.80 0.00 -4.70 1.72 3.02 0.41 -2.40 115.26 108.51 1zye n ASN 84 Ca 0.14 -0.75 -0.40 0.00 -0.03 0.00 0.00 54.58 53.54 1zye n ASN 84 Cb 0.31 -0.05 -0.05 0.00 -0.61 0.00 0.00 39.78 39.38 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 -2.10 5.05 0.34 3.41 2.01 -0.71 -4.96 115.64 118.68 1zye s THR 85 Ca 0.40 1.31 -0.29 0.00 0.31 0.00 0.00 61.69 63.42 1zye s THR 85 Cb 0.19 -3.98 -0.11 0.00 0.01 0.00 0.00 72.50 68.61 1zye s THR 85 CO 0.35 0.22 1.40 -2.84 -0.69 0.00 0.00 174.62 173.05 1zye s PRO 86 N 1.12 4.25 0.30 4.92 0.02 -1.26 -1.62 135.00 142.73 1zye s PRO 86 Ca 0.33 2.37 0.06 0.00 0.02 0.00 0.00 61.00 63.78 1zye s PRO 86 Cb -0.17 -3.03 0.76 0.00 0.02 0.00 0.00 34.50 32.08 1zye s PRO 86 CO 0.14 -0.35 1.73 0.00 -0.33 0.00 0.00 177.00 178.20 1zye h ARG 87 N 3.45 0.56 -0.87 5.54 3.08 -1.84 -0.67 114.38 123.63 1zye h ARG 87 Ca -0.49 -0.03 0.21 0.00 0.07 0.00 0.00 59.98 59.74 1zye h ARG 87 Cb 1.23 -0.13 -0.16 0.00 0.08 0.00 0.00 29.97 30.99 1zye h ARG 87 CO 0.67 0.37 -0.07 1.17 -1.07 0.00 0.00 179.97 181.03 1zye n LYS 88 N -4.90 -0.07 -1.78 0.04 4.81 -1.26 -1.44 118.16 113.55 1zye n LYS 88 Ca 0.23 1.32 -0.33 0.00 -0.87 0.00 0.00 58.31 58.66 1zye n LYS 88 Cb 0.64 -2.05 0.05 0.00 0.02 0.00 0.00 35.03 33.69 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 -5.32 6.77 0.00 3.14 3.02 -0.27 -4.88 115.26 117.71 1zye n ASN 89 Ca 0.18 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.94 1zye n ASN 89 Cb 0.58 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 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 -0.71 2.08 0.00 7.41 0.00 -0.52 -4.90 105.19 108.54 1zye n GLY 90 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.62 0.09 -0.02 0.00 -1.13 -4.90 105.19 95.61 1zye n GLY 91 Ca 0.00 -1.55 -0.10 0.00 0.00 0.00 0.00 46.02 44.37 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 0.82 0.00 0.99 4.77 -0.78 -4.39 117.00 118.41 1zye n LEU 92 Ca 0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1zye n LEU 92 Cb 0.00 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1zye n LEU 92 CO 0.00 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1zye n GLY 93 N 2.12 -0.37 3.58 -0.72 0.00 -0.64 -4.71 105.19 104.45 1zye n GLY 93 Ca -0.30 -1.04 -0.47 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.47 1.22 -4.96 1.61 -0.00 -1.26 -4.65 115.22 106.71 1zye n HIS 94 Ca 0.00 0.70 -0.28 0.00 -0.00 0.00 0.00 57.72 58.14 1zye n HIS 94 Cb 0.00 -2.26 -0.16 0.00 -0.00 0.00 0.00 29.99 27.57 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 -0.80 2.19 0.00 1.57 0.00 -1.26 -5.02 119.30 115.97 1zye s MET 95 Ca 0.68 -0.69 0.23 0.00 0.00 0.00 0.00 55.69 55.90 1zye s MET 95 Cb -0.80 -1.81 0.03 0.00 0.00 0.00 0.00 34.83 32.25 1zye s MET 95 CO 0.55 0.23 1.12 0.09 0.00 0.00 0.00 175.02 177.00 1zye n ASN 96 N 3.28 2.02 -4.54 1.11 3.02 -1.26 -4.94 115.26 113.96 1zye n ASN 96 Ca -0.19 -1.51 -0.28 0.00 -0.03 0.00 0.00 54.58 52.57 1zye n ASN 96 Cb 0.53 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 -2.46 3.11 0.31 2.41 -4.36 -1.26 -4.98 121.20 113.96 1zye s ILE 97 Ca 0.19 -1.54 -0.29 0.00 -0.26 0.00 0.00 60.65 58.75 1zye s ILE 97 Cb 0.18 -2.49 -0.10 0.00 1.25 0.00 0.00 42.46 41.30 1zye s ILE 97 CO 0.56 -0.00 1.38 0.00 0.24 0.00 0.00 174.94 177.12 1zye s ALA 98 N -1.43 3.55 -0.41 2.27 0.00 -1.20 -4.90 121.76 119.64 1zye s ALA 98 Ca 0.22 1.33 -0.07 0.00 0.00 0.00 0.00 51.96 53.44 1zye s ALA 98 Cb -0.10 -3.52 0.09 0.00 0.00 0.00 0.00 23.12 19.58 1zye s ALA 98 CO 0.13 -0.73 0.22 -0.51 0.00 0.00 0.00 175.76 174.87 1zye s LEU 99 N -1.30 5.07 -0.01 0.00 1.02 -1.01 -1.71 118.68 120.75 1zye s LEU 99 Ca 0.53 -1.65 -0.23 0.00 0.02 0.00 0.00 54.13 52.80 1zye s LEU 99 Cb -0.41 -1.91 -0.05 0.00 0.02 0.00 0.00 46.19 43.84 1zye s LEU 99 CO 0.51 -0.52 0.68 -0.22 0.02 0.00 0.00 176.35 176.82 1zye s LEU 100 N 1.32 4.39 -0.09 1.79 2.96 0.36 -0.46 118.68 128.95 1zye s LEU 100 Ca 0.04 1.25 -0.21 0.00 -0.22 0.00 0.00 54.13 54.98 1zye s LEU 100 Cb -0.23 -3.07 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 1zye s LEU 100 CO -0.00 -0.00 0.61 -0.55 -1.32 0.00 0.00 176.35 175.09 1zye s SER 101 N 0.20 6.87 -0.70 3.68 0.15 -0.16 -3.14 113.70 120.59 1zye s SER 101 Ca 0.35 1.04 0.04 0.00 0.70 0.00 0.00 55.95 58.08 1zye s SER 101 Cb -0.19 -2.36 0.31 0.00 -1.71 0.00 0.00 66.02 62.08 1zye s SER 101 CO 0.19 -0.07 1.08 -0.67 1.20 0.00 0.00 173.24 174.97 1zye n ASP 102 N 3.74 4.91 -0.19 5.45 2.03 -0.37 -4.40 116.55 127.73 1zye n ASP 102 Ca -0.04 -3.62 0.01 0.00 0.52 0.00 0.00 54.79 51.67 1zye n ASP 102 Cb 0.51 -0.73 0.27 0.00 -0.72 0.00 0.00 41.12 40.45 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 3.61 0.81 -0.00 -2.67 6.46 -1.71 -1.06 115.31 120.74 1zye h LEU 103 Ca 0.21 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1zye h LEU 103 Cb 0.52 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1zye h LEU 103 CO 0.91 0.59 0.00 0.35 -0.62 0.00 0.00 178.44 179.68 1zye n THR 104 N -4.42 0.00 -0.56 1.05 -2.24 -1.26 -4.86 114.28 101.98 1zye n THR 104 Ca 0.07 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1zye n THR 104 Cb 0.04 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 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 -0.91 -0.18 0.01 -0.78 5.02 -0.40 -4.82 118.16 116.10 1zye n LYS 105 Ca 0.20 0.04 -0.06 0.00 -2.02 0.00 0.00 58.31 56.47 1zye n LYS 105 Cb 0.09 -4.47 0.14 0.00 -0.02 0.00 0.00 35.03 30.77 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 0.11 0.50 -0.04 1.97 1.08 -1.89 -1.60 115.11 115.24 1zye h GLN 106 Ca 0.00 -0.24 -0.05 0.00 -1.45 0.00 0.00 58.65 56.90 1zye h GLN 106 Cb 0.09 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1zye h GLN 106 CO 0.00 0.81 -0.19 0.82 -0.95 0.00 0.00 178.83 179.32 1zye h ILE 107 N 0.41 1.47 -0.17 2.54 2.04 -1.89 -1.05 117.51 120.86 1zye h ILE 107 Ca 0.04 -1.67 -0.00 0.00 1.00 0.00 0.00 64.86 64.22 1zye h ILE 107 Cb 0.86 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 1zye h ILE 107 CO 0.07 0.46 0.10 0.28 0.00 0.00 0.00 178.15 179.06 1zye h SER 108 N -0.38 0.20 0.04 1.72 0.02 -1.92 -1.51 113.55 111.74 1zye h SER 108 Ca -0.01 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1zye h SER 108 Cb 0.85 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1zye h SER 108 CO 0.04 0.17 -0.02 -0.09 -1.14 0.00 0.00 176.83 175.79 1zye h ARG 109 N 0.24 -0.05 0.00 3.45 2.43 -1.14 0.01 114.38 119.32 1zye h ARG 109 Ca 0.06 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1zye h ARG 109 Cb 0.01 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1zye h ARG 109 CO -0.01 0.28 -0.18 -0.44 -1.51 0.00 0.00 179.97 178.11 1zye h ASP 110 N -0.38 0.00 -0.08 -3.80 3.32 -0.51 -0.12 116.42 114.86 1zye h ASP 110 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1zye h ASP 110 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1zye h ASP 110 CO 0.01 0.18 0.00 -1.22 -1.72 0.00 0.00 179.24 176.49 1zye n TYR 111 N -4.13 0.09 -3.55 4.55 4.02 -0.63 -4.51 117.16 113.00 1zye n TYR 111 Ca -0.02 -0.04 -0.22 0.00 -0.01 0.00 0.00 57.90 57.60 1zye n TYR 111 Cb 0.25 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.65 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 1.16 -0.49 0.00 2.72 0.00 -0.06 -4.86 105.19 103.66 1zye n GLY 112 Ca 0.18 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -4.80 0.55 -2.89 1.61 0.24 -0.07 -5.02 118.33 107.95 1zye n VAL 113 Ca -0.05 -0.76 -0.43 0.00 -2.04 0.00 0.00 64.34 61.06 1zye n VAL 113 Cb 0.58 0.74 -0.05 0.00 -1.47 0.00 0.00 33.84 33.65 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 -0.55 4.13 -0.42 1.34 2.96 -0.85 -0.50 118.68 124.79 1zye s LEU 114 Ca 0.00 0.03 -0.28 0.00 -0.22 0.00 0.00 54.13 53.66 1zye s LEU 114 Cb 0.00 -3.08 -0.02 0.00 0.50 0.00 0.00 46.19 43.59 1zye s LEU 114 CO 0.00 -0.97 1.81 -0.76 -1.32 0.00 0.00 176.35 175.11 1zye s LEU 115 N 3.50 3.45 0.34 -0.68 1.02 -0.41 -4.85 118.68 121.06 1zye s LEU 115 Ca 0.33 1.00 0.08 0.00 0.02 0.00 0.00 54.13 55.57 1zye s LEU 115 Cb -0.11 -3.21 0.62 0.00 0.02 0.00 0.00 46.19 43.50 1zye s LEU 115 CO 0.24 -1.91 1.80 -0.33 0.02 0.00 0.00 176.35 176.17 1zye h GLU 116 N 13.50 0.22 0.00 1.70 4.39 -1.94 -0.36 114.58 132.10 1zye h GLU 116 Ca -0.31 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1zye h GLU 116 Cb 1.17 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1zye h GLU 116 CO 1.09 0.49 0.00 0.41 -1.16 0.00 0.00 179.01 179.84 1zye n GLY 117 N -0.50 -3.10 0.15 -3.84 0.00 -1.26 -3.37 105.19 93.26 1zye n GLY 117 Ca -0.01 0.38 0.03 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.60 1.61 0.14 -1.99 -3.48 132.00 127.67 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 0.51 0.00 0.41 0.14 0.00 0.00 178.00 179.06 1zye n GLY 119 N 0.84 0.97 3.18 1.56 0.00 -0.16 -5.10 105.19 106.49 1zye n GLY 119 Ca 0.01 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.60 1.60 0.33 0.99 2.34 -1.14 -4.94 118.68 117.27 1zye s LEU 120 Ca 0.00 -1.16 -0.10 0.00 0.06 0.00 0.00 54.13 52.92 1zye s LEU 120 Cb 0.00 0.45 -0.07 0.00 -0.56 0.00 0.00 46.19 46.01 1zye s LEU 120 CO 0.00 -0.76 0.69 0.00 -1.06 0.00 0.00 176.35 175.21 1zye s ALA 121 N -4.04 3.43 0.85 1.48 0.00 -1.26 -1.28 121.76 120.93 1zye s ALA 121 Ca 0.24 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.86 1zye s ALA 121 Cb 0.07 -2.60 0.10 0.00 0.00 0.00 0.00 23.12 20.69 1zye s ALA 121 CO 0.02 0.21 1.17 -0.51 0.00 0.00 0.00 175.76 176.65 1zye s LEU 122 N -3.40 2.32 -1.38 0.00 1.43 0.34 -3.61 118.68 114.38 1zye s LEU 122 Ca 0.50 0.83 -0.14 0.00 -1.03 0.00 0.00 54.13 54.29 1zye s LEU 122 Cb -0.10 -3.25 0.08 0.00 0.03 0.00 0.00 46.19 42.95 1zye s LEU 122 CO 0.26 -2.17 2.02 0.54 0.23 0.00 0.00 176.35 177.23 1zye n ARG 123 N -3.50 3.10 -3.65 1.70 1.74 -0.94 -4.26 116.66 110.85 1zye n ARG 123 Ca 0.08 -2.99 -0.32 0.00 -0.77 0.00 0.00 57.85 53.85 1zye n ARG 123 Cb 0.60 -3.24 -0.05 0.00 -1.02 0.00 0.00 32.46 28.76 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 2.90 2.24 -0.01 -0.13 0.00 -1.23 -1.35 107.32 109.74 1zye s GLY 124 Ca 0.47 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.66 1zye s GLY 124 CO -0.03 -0.44 -0.00 -2.27 0.00 0.00 0.00 173.10 170.35 1zye s LEU 125 N -2.61 1.61 -0.04 0.66 0.20 0.21 0.23 118.68 118.93 1zye s LEU 125 Ca 0.41 -0.02 0.05 0.00 0.69 0.00 0.00 54.13 55.26 1zye s LEU 125 Cb -0.12 -0.12 -0.01 0.00 -0.43 0.00 0.00 46.19 45.51 1zye s LEU 125 CO 0.24 -0.04 -0.18 -0.36 -0.29 0.00 0.00 176.35 175.72 1zye s PHE 126 N 0.45 1.71 -0.33 5.38 0.08 0.96 -0.90 117.98 125.33 1zye s PHE 126 Ca -0.04 -0.46 -0.09 0.00 0.12 0.00 0.00 56.93 56.46 1zye s PHE 126 Cb -0.06 -1.14 0.01 0.00 -0.57 0.00 0.00 43.02 41.26 1zye s PHE 126 CO -0.01 -0.14 0.15 0.42 -0.10 0.00 0.00 175.22 175.54 1zye s ILE 127 N -0.06 4.34 -0.17 0.64 1.01 -0.30 -1.51 121.20 125.16 1zye s ILE 127 Ca -0.02 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 1zye s ILE 127 Cb -0.11 -3.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 1zye s ILE 127 CO 0.02 -0.07 -0.05 -0.63 0.00 0.00 0.00 174.94 174.21 1zye s ILE 128 N 1.54 3.65 0.72 2.92 1.01 0.27 -0.58 121.20 130.73 1zye s ILE 128 Ca 0.02 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 1zye s ILE 128 Cb -0.18 -2.61 0.03 0.00 0.01 0.00 0.00 42.46 39.71 1zye s ILE 128 CO 0.05 0.48 1.11 1.51 0.00 0.00 0.00 174.94 178.09 1zye s ASP 129 N 0.63 5.29 0.62 3.58 1.47 -0.05 -0.51 116.67 127.70 1zye s ASP 129 Ca -0.03 1.08 0.23 0.00 1.18 0.00 0.00 52.55 55.01 1zye s ASP 129 Cb -0.15 -1.84 0.95 0.00 -0.34 0.00 0.00 42.92 41.55 1zye s ASP 129 CO 0.02 -1.44 1.44 1.55 0.68 0.00 0.00 175.17 177.43 1zye h PRO 130 N -0.72 0.00 -0.19 2.11 0.13 -1.77 0.36 132.00 131.92 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 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 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 -3.18 2.31 0.00 1.44 4.13 -1.26 -0.53 115.26 118.17 1zye n ASN 131 Ca 0.13 -1.80 0.00 0.00 1.68 0.00 0.00 54.58 54.60 1zye n ASN 131 Cb 1.13 -0.12 0.00 0.00 -1.54 0.00 0.00 39.78 39.25 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 1.27 0.46 3.72 7.41 0.00 0.13 -5.00 105.19 113.18 1zye n GLY 132 Ca 0.17 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 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 5.31 -0.14 1.61 1.01 -1.24 -0.68 120.40 124.27 1zye s VAL 133 Ca 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.84 1zye s VAL 133 Cb 0.00 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1zye s VAL 133 CO 0.00 0.45 1.12 0.27 0.00 0.00 0.00 175.10 176.94 1zye s ILE 134 N 0.28 4.51 -0.16 2.22 -5.25 -0.48 -0.87 121.20 121.45 1zye s ILE 134 Ca 0.08 1.81 0.19 0.00 -0.99 0.00 0.00 60.65 61.74 1zye s ILE 134 Cb -0.11 -4.17 -0.28 0.00 2.95 0.00 0.00 42.46 40.85 1zye s ILE 134 CO -0.01 -0.07 0.48 0.29 -1.79 0.00 0.00 174.94 173.83 1zye n LYS 135 N 5.73 0.62 -3.67 0.37 4.76 0.25 -2.68 118.16 123.54 1zye n LYS 135 Ca 0.11 -0.15 -0.14 0.00 -2.87 0.00 0.00 58.31 55.26 1zye n LYS 135 Cb 0.47 -1.45 -0.08 0.00 -1.84 0.00 0.00 35.03 32.13 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 -3.25 -0.54 -0.00 2.13 5.04 -1.20 -4.98 115.29 112.48 1zye s HIS 136 Ca -0.05 1.20 0.00 0.00 -1.54 0.00 0.00 55.06 54.67 1zye s HIS 136 Cb 0.13 0.23 0.00 0.00 0.04 0.00 0.00 32.58 32.98 1zye s HIS 136 CO 0.80 -0.37 -0.00 -0.48 -2.34 0.00 0.00 174.74 172.34 1zye s LEU 137 N -0.28 1.90 -0.02 8.88 0.05 -1.26 -1.15 118.68 126.79 1zye s LEU 137 Ca -0.05 -0.00 0.05 0.00 0.05 0.00 0.00 54.13 54.18 1zye s LEU 137 Cb -0.03 -0.03 -0.03 0.00 -2.05 0.00 0.00 46.19 44.05 1zye s LEU 137 CO 0.03 -0.01 -0.16 -0.44 -0.55 0.00 0.00 176.35 175.22 1zye s SER 138 N 0.11 3.91 -0.07 1.48 0.01 -0.07 -4.96 113.70 114.11 1zye s SER 138 Ca -0.01 -0.28 -0.01 0.00 1.31 0.00 0.00 55.95 56.96 1zye s SER 138 Cb -0.02 -0.75 0.03 0.00 0.21 0.00 0.00 66.02 65.49 1zye s SER 138 CO -0.00 0.32 0.01 -0.69 0.41 0.00 0.00 173.24 173.28 1zye s VAL 139 N -0.79 0.31 -0.01 3.43 1.01 -1.26 -0.62 120.40 122.47 1zye s VAL 139 Ca 0.13 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1zye s VAL 139 Cb -0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1zye s VAL 139 CO 0.02 0.25 0.04 0.20 0.00 0.00 0.00 175.10 175.61 1zye s ASN 140 N 1.98 5.40 0.86 3.32 0.01 -0.46 -4.98 114.94 121.08 1zye s ASN 140 Ca 0.05 0.08 -0.14 0.00 -0.71 0.00 0.00 52.86 52.14 1zye s ASN 140 Cb -0.12 -1.49 0.03 0.00 0.41 0.00 0.00 41.25 40.07 1zye s ASN 140 CO -0.05 0.29 0.59 -0.67 -1.51 0.00 0.00 177.10 175.75 1zye n ASP 141 N 1.36 -1.27 -0.31 -1.22 2.03 -1.26 -2.20 116.55 113.68 1zye n ASP 141 Ca -0.14 0.45 0.12 0.00 0.52 0.00 0.00 54.79 55.74 1zye n ASP 141 Cb 0.53 -1.26 0.26 0.00 -0.72 0.00 0.00 41.12 39.93 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 -1.13 -0.30 -1.79 -2.67 3.38 -1.96 -3.03 115.31 107.82 1zye h LEU 142 Ca -0.44 0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1zye h LEU 142 Cb 1.30 0.39 0.00 0.00 0.09 0.00 0.00 40.66 42.44 1zye h LEU 142 CO 0.39 -0.26 0.00 -0.81 0.09 0.00 0.00 178.44 177.85 1zye n PRO 143 N -5.38 2.37 -3.96 1.13 -0.04 -1.26 -4.89 135.00 122.97 1zye n PRO 143 Ca 0.21 -1.29 -0.26 0.00 -0.04 0.00 0.00 63.50 62.12 1zye n PRO 143 Cb 0.68 -1.63 -0.17 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.70 0.98 0.49 0.52 1.01 -1.14 -5.09 120.40 115.48 1zye s VAL 144 Ca 0.23 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 1zye s VAL 144 Cb 0.16 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.45 1zye s VAL 144 CO 0.09 0.36 1.04 -0.83 0.00 0.00 0.00 175.10 175.76 1zye s GLY 145 N 1.62 2.48 0.58 4.51 0.00 -1.26 -4.85 107.32 110.40 1zye s GLY 145 Ca 0.03 0.59 -0.13 0.00 0.00 0.00 0.00 44.72 45.20 1zye s GLY 145 CO -0.07 0.90 1.02 0.50 0.00 0.00 0.00 173.10 175.45 1zye s ARG 146 N -3.29 3.68 -0.37 2.90 0.52 -1.26 -5.06 118.95 116.07 1zye s ARG 146 Ca 0.67 0.87 -0.22 0.00 -0.52 0.00 0.00 55.73 56.53 1zye s ARG 146 Cb -0.16 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.22 1zye s ARG 146 CO 0.21 -0.50 0.71 0.45 0.02 0.00 0.00 175.30 176.19 1zye s SER 147 N -3.66 6.48 0.26 0.23 0.15 -1.26 -4.95 113.70 110.95 1zye s SER 147 Ca 0.57 0.20 -0.05 0.00 0.70 0.00 0.00 55.95 57.37 1zye s SER 147 Cb -0.11 -2.36 0.32 0.00 -1.71 0.00 0.00 66.02 62.16 1zye s SER 147 CO 0.44 -0.69 1.92 0.58 1.20 0.00 0.00 173.24 176.70 1zye h VAL 148 N 5.74 1.21 -0.28 4.45 2.07 -1.94 -2.33 116.25 125.16 1zye h VAL 148 Ca -0.25 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 66.85 1zye h VAL 148 Cb 1.10 -0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1zye h VAL 148 CO 0.88 0.24 0.09 -0.33 0.02 0.00 0.00 177.57 178.46 1zye h GLU 149 N 1.29 0.20 -0.68 1.57 4.39 -1.96 -1.63 114.58 117.76 1zye h GLU 149 Ca 0.38 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.07 1zye h GLU 149 Cb -0.06 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 1zye h GLU 149 CO -0.10 0.13 0.41 1.49 -1.16 0.00 0.00 179.01 179.78 1zye h GLU 150 N 0.21 0.92 -0.62 2.33 4.57 -1.88 -1.14 114.58 118.96 1zye h GLU 150 Ca 0.13 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1zye h GLU 150 Cb 0.10 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 1zye h GLU 150 CO -0.14 0.65 0.38 1.15 -1.18 0.00 0.00 179.01 179.87 1zye h THR 151 N 0.92 1.18 -0.26 0.32 2.02 -1.13 -1.63 112.91 114.33 1zye h THR 151 Ca 0.24 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1zye h THR 151 Cb -0.03 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1zye h THR 151 CO -0.05 0.19 0.17 0.25 0.37 0.00 0.00 175.52 176.45 1zye h LEU 152 N 0.84 0.30 -0.78 2.58 5.85 -0.84 -1.52 115.31 121.74 1zye h LEU 152 Ca 0.22 -0.02 0.13 0.00 0.84 0.00 0.00 57.88 59.05 1zye h LEU 152 Cb -0.03 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 40.84 1zye h LEU 152 CO -0.04 0.23 0.37 -0.09 -0.34 0.00 0.00 178.44 178.57 1zye h ARG 153 N 0.34 0.54 -0.50 1.25 2.43 -0.90 -1.95 114.38 115.60 1zye h ARG 153 Ca 0.09 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1zye h ARG 153 Cb -0.02 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1zye h ARG 153 CO -0.02 0.36 0.13 -0.07 -1.51 0.00 0.00 179.97 178.86 1zye h LEU 154 N 0.56 0.75 0.06 3.80 3.38 -0.83 -0.35 115.31 122.66 1zye h LEU 154 Ca 0.42 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1zye h LEU 154 Cb 0.58 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1zye h LEU 154 CO -0.35 0.78 -0.03 0.58 0.09 0.00 0.00 178.44 179.50 1zye h VAL 155 N 0.68 0.95 -0.23 1.22 2.07 -0.76 -2.10 116.25 118.08 1zye h VAL 155 Ca 0.16 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.71 1zye h VAL 155 Cb 0.31 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1zye h VAL 155 CO -0.00 0.01 -0.15 0.11 0.02 0.00 0.00 177.57 177.56 1zye h LYS 156 N -0.09 -0.13 -0.91 1.57 1.57 -1.26 -2.42 116.57 114.90 1zye h LYS 156 Ca -0.01 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.95 1zye h LYS 156 Cb 0.07 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.31 1zye h LYS 156 CO 0.01 -0.08 0.50 0.00 -0.57 0.00 0.00 179.45 179.31 1zye h ALA 157 N 1.04 1.44 0.00 3.86 0.00 -0.79 -0.33 119.26 124.48 1zye h ALA 157 Ca 0.13 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1zye h ALA 157 Cb 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1zye h ALA 157 CO -0.31 -0.09 -0.50 0.74 0.00 0.00 0.00 179.25 179.09 1zye h PHE 158 N 0.66 0.00 -0.07 0.00 0.04 -0.91 -2.33 116.94 114.33 1zye h PHE 158 Ca 0.52 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.23 1zye h PHE 158 Cb 0.78 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.93 1zye h PHE 158 CO -0.06 0.50 -0.19 1.96 -0.60 0.00 0.00 178.31 179.91 1zye h GLN 159 N 0.00 0.25 -0.37 1.51 4.20 -0.80 -2.71 115.11 117.20 1zye h GLN 159 Ca -0.00 -0.18 0.04 0.00 0.06 0.00 0.00 58.65 58.56 1zye h GLN 159 Cb 0.95 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.70 1zye h GLN 159 CO 0.06 0.79 -0.37 0.35 -0.67 0.00 0.00 178.83 178.99 1zye h PHE 160 N -0.24 -1.16 0.00 2.96 3.04 -1.08 -0.90 116.94 119.56 1zye h PHE 160 Ca -0.00 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1zye h PHE 160 Cb 0.80 0.56 0.00 0.00 2.56 0.00 0.00 35.95 39.87 1zye h PHE 160 CO 0.12 -0.30 0.00 1.55 -2.02 0.00 0.00 178.31 177.66 1zye n VAL 161 N -4.47 1.39 -0.48 1.41 3.14 -0.89 -1.05 118.33 117.40 1zye n VAL 161 Ca -0.01 0.35 0.10 0.00 -2.96 0.00 0.00 64.34 61.81 1zye n VAL 161 Cb 0.21 -1.24 0.30 0.00 -1.06 0.00 0.00 33.84 32.05 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 -1.44 3.18 0.00 1.45 2.13 -0.36 -5.09 120.64 120.50 1zye n GLU 162 Ca 0.02 -2.66 0.00 0.00 0.66 0.00 0.00 57.16 55.18 1zye n GLU 162 Cb 0.07 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.11 1zye n GLU 162 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72