#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqy h TYR 8 N 0.00 -0.98 -0.03 -0.32 3.20 -1.97 -1.36 116.97 115.52 1aqy h TYR 8 Ca 0.00 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1aqy h TYR 8 Cb 0.00 0.51 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1aqy h TYR 8 CO 0.00 -0.39 0.00 0.66 -1.64 0.00 0.00 178.16 176.79 1aqy n TYR 9 N -5.43 0.03 -0.01 -3.82 4.01 -1.26 -1.27 117.16 109.42 1aqy n TYR 9 Ca 0.03 -0.02 -0.16 0.00 -0.16 0.00 0.00 57.90 57.59 1aqy n TYR 9 Cb 0.35 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.24 1aqy n TYR 9 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1aqy n GLU 10 N -0.59 0.71 0.11 -0.72 1.02 -0.54 -4.29 120.64 116.33 1aqy n GLU 10 Ca 0.12 0.27 -0.23 0.00 -0.02 0.00 0.00 57.16 57.30 1aqy n GLU 10 Cb 0.09 -1.74 -0.15 0.00 -0.02 0.00 0.00 31.44 29.62 1aqy n GLU 10 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1aqy h VAL 11 N 0.04 1.37 -3.76 2.62 2.07 -1.13 -3.47 116.25 113.99 1aqy h VAL 11 Ca -0.37 -2.61 -0.68 0.00 0.82 0.00 0.00 66.70 63.86 1aqy h VAL 11 Cb 2.03 3.07 -0.19 0.00 -1.52 0.00 0.00 31.29 34.68 1aqy h VAL 11 CO 0.08 0.77 -0.73 -0.36 0.02 0.00 0.00 177.57 177.35 1aqy s PHE 12 N -2.58 2.80 -0.04 1.57 0.08 -0.39 -2.36 117.98 117.06 1aqy s PHE 12 Ca -0.11 -0.09 -0.06 0.00 0.12 0.00 0.00 56.93 56.79 1aqy s PHE 12 Cb 0.03 -1.60 0.01 0.00 -0.57 0.00 0.00 43.02 40.89 1aqy s PHE 12 CO 0.90 0.31 0.15 0.20 -0.10 0.00 0.00 175.22 176.68 1aqy s GLY 13 N -1.22 -0.06 0.03 4.36 0.00 0.21 -4.46 107.32 106.19 1aqy s GLY 13 Ca 0.15 0.23 -0.30 0.00 0.00 0.00 0.00 44.72 44.80 1aqy s GLY 13 CO 0.05 0.15 1.43 1.85 0.00 0.00 0.00 173.10 176.57 1aqy s GLU 14 N -0.42 4.28 -0.21 2.90 2.56 -1.26 -1.11 118.70 125.44 1aqy s GLU 14 Ca -0.05 2.03 -0.00 0.00 0.00 0.00 0.00 54.97 56.95 1aqy s GLU 14 Cb -0.03 -3.51 0.06 0.00 2.00 0.00 0.00 34.13 32.64 1aqy s GLU 14 CO 0.01 -0.56 -0.03 0.12 -0.56 0.00 0.00 175.26 174.23 1aqy s PHE 15 N 2.16 1.94 -1.46 5.30 5.36 0.12 -4.78 117.98 126.61 1aqy s PHE 15 Ca 0.65 -1.43 -0.09 0.00 -0.96 0.00 0.00 56.93 55.11 1aqy s PHE 15 Cb -0.33 -1.40 0.06 0.00 -0.34 0.00 0.00 43.02 41.00 1aqy s PHE 15 CO 0.28 -0.71 0.85 0.54 -1.46 0.00 0.00 175.22 174.72 1aqy n ARG 16 N 4.80 -5.08 -0.97 10.12 1.74 -1.26 -1.83 116.66 124.18 1aqy n ARG 16 Ca -0.11 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 1aqy n ARG 16 Cb 0.45 -5.31 0.00 0.00 -1.02 0.00 0.00 32.46 26.59 1aqy n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aqy n GLY 17 N -1.67 0.66 2.98 -0.13 0.00 -1.26 -5.04 105.19 100.73 1aqy n GLY 17 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1aqy n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aqy s VAL 18 N -2.60 1.20 0.08 1.61 1.01 -0.76 -4.95 120.40 115.99 1aqy s VAL 18 Ca 0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 1aqy s VAL 18 Cb 0.00 -1.15 -0.08 0.00 0.00 0.00 0.00 36.38 35.15 1aqy s VAL 18 CO 0.00 0.39 1.56 -0.22 0.00 0.00 0.00 175.10 176.83 1aqy s LEU 19 N 1.29 4.36 0.05 3.92 2.96 -1.26 -0.71 118.68 129.29 1aqy s LEU 19 Ca -0.02 2.43 0.00 0.00 -0.22 0.00 0.00 54.13 56.32 1aqy s LEU 19 Cb -0.14 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1aqy s LEU 19 CO -0.04 -0.81 -0.04 -0.04 -1.32 0.00 0.00 176.35 174.09 1aqy s MET 20 N 2.09 0.58 -0.04 1.98 -1.94 -0.26 -0.36 119.30 121.36 1aqy s MET 20 Ca 0.70 -1.07 -0.30 0.00 -1.71 0.00 0.00 55.69 53.31 1aqy s MET 20 Cb -0.39 0.06 -0.06 0.00 2.01 0.00 0.00 34.83 36.46 1aqy s MET 20 CO 0.31 -0.06 1.58 0.34 -0.01 0.00 0.00 175.02 177.17 1aqy s ASP 21 N -2.51 6.71 0.59 3.03 -1.08 -1.26 -0.61 116.67 121.54 1aqy s ASP 21 Ca 0.01 2.21 0.29 0.00 -0.52 0.00 0.00 52.55 54.54 1aqy s ASP 21 Cb 0.02 -2.54 1.67 0.00 -1.46 0.00 0.00 42.92 40.61 1aqy s ASP 21 CO -0.06 -0.87 2.09 0.11 0.52 0.00 0.00 175.17 176.96 1aqy h LYS 22 N 8.97 0.00 0.00 4.34 1.57 -1.80 -0.88 116.57 128.76 1aqy h LYS 22 Ca -0.38 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 1aqy h LYS 22 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1aqy h LYS 22 CO 0.94 0.00 -0.19 0.00 -0.57 0.00 0.00 179.45 179.64 1aqy h ARG 23 N 0.00 0.00 -0.00 3.15 3.08 -1.88 -2.29 114.38 116.44 1aqy h ARG 23 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1aqy h ARG 23 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1aqy h ARG 23 CO -0.00 0.19 -0.33 1.19 -1.07 0.00 0.00 179.97 179.94 1aqy n PHE 24 N -3.59 0.00 0.17 3.04 3.72 -0.34 -4.16 117.46 116.30 1aqy n PHE 24 Ca -0.01 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.41 1aqy n PHE 24 Cb 0.33 -0.19 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 1aqy n PHE 24 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1aqy n THR 25 N -1.02 0.00 -0.30 4.37 -2.24 -1.02 -4.59 114.28 109.48 1aqy n THR 25 Ca 0.10 -0.36 0.07 0.00 -2.27 0.00 0.00 64.05 61.58 1aqy n THR 25 Cb 0.34 0.93 0.28 0.00 -2.10 0.00 0.00 70.33 69.77 1aqy n THR 25 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1aqy h LYS 26 N 0.00 0.90 -1.10 -0.78 3.64 -1.58 -2.55 116.57 115.10 1aqy h LYS 26 Ca 0.00 -0.05 -0.59 0.00 -1.27 0.00 0.00 60.65 58.73 1aqy h LYS 26 Cb 0.11 -0.20 -0.40 0.00 -0.41 0.00 0.00 32.23 31.33 1aqy h LYS 26 CO 0.00 0.60 -0.44 0.66 -2.27 0.00 0.00 179.45 178.00 1aqy n TYR 27 N -4.54 3.03 -0.18 1.91 4.01 -1.26 -4.87 117.16 115.25 1aqy n TYR 27 Ca 0.16 -2.60 0.24 0.00 -0.16 0.00 0.00 57.90 55.54 1aqy n TYR 27 Cb 0.30 -0.47 0.64 0.00 -0.31 0.00 0.00 39.34 39.50 1aqy n TYR 27 CO 0.00 0.00 0.00 2.35 -0.46 0.00 0.00 176.86 178.75 1aqy h TRP 28 N 2.33 0.20 -0.75 -0.72 2.91 -1.70 -2.08 115.95 116.14 1aqy h TRP 28 Ca 0.39 0.01 0.16 0.00 1.13 0.00 0.00 58.89 60.58 1aqy h TRP 28 Cb 1.16 -0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 29.70 1aqy h TRP 28 CO 0.94 0.05 0.51 0.93 -1.03 0.00 0.00 178.44 179.84 1aqy h GLU 29 N 0.15 0.34 -0.10 2.65 3.07 -1.89 -0.28 114.58 118.52 1aqy h GLU 29 Ca 0.42 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 59.20 1aqy h GLU 29 Cb 1.42 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.25 1aqy h GLU 29 CO -0.07 0.23 -0.23 -0.44 -1.40 0.00 0.00 179.01 177.10 1aqy h ASP 30 N 0.35 0.17 0.04 1.42 3.32 -1.78 -2.06 116.42 117.88 1aqy h ASP 30 Ca 0.37 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.28 1aqy h ASP 30 Cb 0.94 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 1aqy h ASP 30 CO -0.11 0.41 -0.49 0.58 -1.72 0.00 0.00 179.24 177.91 1aqy h VAL 31 N 0.16 1.54 -0.90 -1.35 2.07 -1.26 -3.26 116.25 113.25 1aqy h VAL 31 Ca 0.03 -2.37 0.13 0.00 0.82 0.00 0.00 66.70 65.30 1aqy h VAL 31 Cb 0.50 3.13 -0.07 0.00 -1.52 0.00 0.00 31.29 33.33 1aqy h VAL 31 CO 0.03 0.60 0.58 -0.08 0.02 0.00 0.00 177.57 178.72 1aqy h GLU 32 N -0.80 0.76 -0.64 1.57 4.81 -1.19 -2.18 114.58 116.93 1aqy h GLU 32 Ca -0.11 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1aqy h GLU 32 Cb 1.26 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1aqy h GLU 32 CO 0.01 0.51 0.00 -1.33 -0.73 0.00 0.00 179.01 177.47 1aqy n MET 33 N -4.56 4.05 -1.76 1.92 2.81 -0.78 -4.55 117.12 114.25 1aqy n MET 33 Ca 0.17 -2.82 -0.41 0.00 -1.81 0.00 0.00 57.70 52.83 1aqy n MET 33 Cb 0.40 -2.02 -0.01 0.00 -0.71 0.00 0.00 33.22 30.89 1aqy n MET 33 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1aqy n PHE 34 N 0.87 2.89 -3.56 2.03 7.35 -0.82 -4.99 117.46 121.24 1aqy n PHE 34 Ca 0.25 0.38 -0.40 0.00 -0.76 0.00 0.00 57.45 56.93 1aqy n PHE 34 Cb 0.97 -2.55 -0.11 0.00 0.35 0.00 0.00 39.48 38.15 1aqy n PHE 34 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1aqy s LEU 35 N -1.39 4.35 0.51 -2.13 2.96 -1.26 -4.54 118.68 117.18 1aqy s LEU 35 Ca 0.57 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1aqy s LEU 35 Cb -0.49 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 1aqy s LEU 35 CO 0.58 -0.18 0.79 0.00 -1.32 0.00 0.00 176.35 176.22 1aqy s ALA 36 N 1.72 3.49 0.11 5.97 0.00 -1.26 -5.09 121.76 126.70 1aqy s ALA 36 Ca 0.06 -0.78 0.09 0.00 0.00 0.00 0.00 51.96 51.34 1aqy s ALA 36 Cb -0.17 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 1aqy s ALA 36 CO 0.10 -0.53 -0.19 1.03 0.00 0.00 0.00 175.76 176.18 1aqy s ARG 37 N -4.76 1.78 0.39 0.00 0.52 -1.26 -5.02 118.95 110.60 1aqy s ARG 37 Ca 0.50 -1.18 0.14 0.00 -0.52 0.00 0.00 55.73 54.67 1aqy s ARG 37 Cb -0.10 -2.10 0.98 0.00 0.52 0.00 0.00 34.95 34.25 1aqy s ARG 37 CO 0.42 0.48 1.85 -1.35 0.02 0.00 0.00 175.30 176.72 1aqy h PRO 38 N 3.81 0.50 -0.60 3.54 0.11 -1.98 -2.42 132.00 134.95 1aqy h PRO 38 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1aqy h PRO 38 Cb 1.17 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1aqy h PRO 38 CO 0.46 0.33 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 1aqy n ASP 39 N -4.56 3.51 -4.77 -2.05 5.75 -1.26 -4.66 116.55 108.50 1aqy n ASP 39 Ca 0.20 -2.27 -0.37 0.00 -0.01 0.00 0.00 54.79 52.34 1aqy n ASP 39 Cb 0.64 -0.47 -0.01 0.00 -1.03 0.00 0.00 41.12 40.25 1aqy n ASP 39 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1aqy s ASP 40 N -0.82 6.10 -0.13 -1.12 1.01 -0.92 -4.48 116.67 116.30 1aqy s ASP 40 Ca 0.37 2.28 0.02 0.00 0.71 0.00 0.00 52.55 55.94 1aqy s ASP 40 Cb 0.23 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.58 1aqy s ASP 40 CO 0.19 -0.97 -0.19 -0.22 0.21 0.00 0.00 175.17 174.20 1aqy s LEU 41 N -3.15 1.95 -0.22 1.23 2.96 -0.71 -4.01 118.68 116.73 1aqy s LEU 41 Ca 0.65 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.93 1aqy s LEU 41 Cb -0.28 -1.31 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 1aqy s LEU 41 CO 0.33 0.04 0.13 -0.69 -1.32 0.00 0.00 176.35 174.84 1aqy s VAL 42 N 0.95 5.23 -0.33 1.68 1.01 -1.00 -0.98 120.40 126.96 1aqy s VAL 42 Ca -0.05 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 1aqy s VAL 42 Cb -0.15 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 32.86 1aqy s VAL 42 CO -0.03 0.40 0.09 -0.63 0.00 0.00 0.00 175.10 174.93 1aqy s ILE 43 N 0.71 3.72 -0.04 2.22 1.01 0.08 -0.38 121.20 128.52 1aqy s ILE 43 Ca 0.07 -1.14 0.05 0.00 0.00 0.00 0.00 60.65 59.63 1aqy s ILE 43 Cb -0.12 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 1aqy s ILE 43 CO 0.01 -0.16 -0.18 0.00 0.00 0.00 0.00 174.94 174.61 1aqy s ALA 44 N 1.39 2.49 0.15 9.38 0.00 -0.20 -2.11 121.76 132.85 1aqy s ALA 44 Ca -0.02 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 50.74 1aqy s ALA 44 Cb -0.19 -0.82 0.04 0.00 0.00 0.00 0.00 23.12 22.15 1aqy s ALA 44 CO 0.02 0.55 0.45 0.95 0.00 0.00 0.00 175.76 177.73 1aqy s THR 45 N -0.69 0.05 0.18 0.00 -4.23 -1.06 -2.25 115.64 107.64 1aqy s THR 45 Ca 0.11 -0.55 -0.18 0.00 -1.18 0.00 0.00 61.69 59.89 1aqy s THR 45 Cb -0.10 -1.24 -0.08 0.00 1.34 0.00 0.00 72.50 72.42 1aqy s THR 45 CO 0.00 -0.23 0.65 -0.47 -0.54 0.00 0.00 174.62 174.03 1aqy s TYR 46 N -3.81 3.66 0.24 3.99 5.04 -1.26 -4.22 117.35 120.98 1aqy s TYR 46 Ca 0.04 1.26 -0.29 0.00 -2.44 0.00 0.00 57.07 55.65 1aqy s TYR 46 Cb 0.01 -2.52 -0.15 0.00 0.35 0.00 0.00 41.96 39.64 1aqy s TYR 46 CO -0.10 0.40 0.83 -2.30 -1.34 0.00 0.00 175.55 173.04 1aqy n PRO 47 N 0.88 0.77 -2.31 4.97 -0.02 -1.26 -3.23 135.00 134.80 1aqy n PRO 47 Ca -0.04 0.27 -0.13 0.00 -2.02 0.00 0.00 63.50 61.58 1aqy n PRO 47 Cb 0.51 -1.51 -0.00 0.00 -0.02 0.00 0.00 33.50 32.48 1aqy n PRO 47 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1aqy n LYS 48 N 0.95 -1.29 -0.12 -0.52 4.76 -1.26 -4.89 118.16 115.78 1aqy n LYS 48 Ca 0.14 0.61 0.10 0.00 -2.87 0.00 0.00 58.31 56.29 1aqy n LYS 48 Cb 0.28 -4.81 0.16 0.00 -1.84 0.00 0.00 35.03 28.81 1aqy n LYS 48 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1aqy n SER 49 N -0.50 3.05 0.00 4.39 7.64 -1.20 -4.81 113.62 122.20 1aqy n SER 49 Ca -0.14 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 57.84 1aqy n SER 49 Cb 0.61 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1aqy n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aqy n GLY 50 N 1.21 1.62 0.23 0.23 0.00 -1.26 -4.62 105.19 102.60 1aqy n GLY 50 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1aqy n GLY 50 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1aqy h THR 51 N 0.00 0.65 -0.75 2.61 2.02 -1.92 -2.40 112.91 113.11 1aqy h THR 51 Ca 0.00 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 1aqy h THR 51 Cb 0.00 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1aqy h THR 51 CO 0.00 0.05 0.24 0.74 0.37 0.00 0.00 175.52 176.92 1aqy h THR 52 N 0.26 1.26 0.46 3.16 2.02 -1.98 -2.09 112.91 116.00 1aqy h THR 52 Ca 0.31 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 1aqy h THR 52 Cb 0.46 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1aqy h THR 52 CO -0.40 0.36 -0.22 -0.25 0.37 0.00 0.00 175.52 175.38 1aqy h TRP 53 N 1.12 -0.58 0.00 3.16 7.01 -1.86 -2.57 115.95 122.23 1aqy h TRP 53 Ca 0.24 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.19 1aqy h TRP 53 Cb 0.31 0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.55 1aqy h TRP 53 CO 0.03 -0.33 -0.19 0.97 -2.79 0.00 0.00 178.44 176.13 1aqy h ILE 54 N -0.67 0.47 -0.36 2.65 2.10 -1.51 -2.82 117.51 117.37 1aqy h ILE 54 Ca -0.06 -1.00 -0.08 0.00 1.08 0.00 0.00 64.86 64.80 1aqy h ILE 54 Cb 0.50 1.71 -0.01 0.00 -1.09 0.00 0.00 36.82 37.93 1aqy h ILE 54 CO 0.10 0.18 -0.08 0.28 -1.08 0.00 0.00 178.15 177.56 1aqy h SER 55 N 0.00 0.69 -0.10 2.19 0.02 -1.28 -2.15 113.55 112.92 1aqy h SER 55 Ca -0.00 -0.36 -0.11 0.00 -0.84 0.00 0.00 61.79 60.48 1aqy h SER 55 Cb 0.69 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1aqy h SER 55 CO 0.02 0.89 -0.28 -0.08 -1.14 0.00 0.00 176.83 176.24 1aqy h GLU 56 N 0.48 0.56 -0.18 3.45 4.57 -1.32 -1.91 114.58 120.23 1aqy h GLU 56 Ca 0.09 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1aqy h GLU 56 Cb 0.58 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1aqy h GLU 56 CO 0.03 0.79 0.08 0.28 -1.18 0.00 0.00 179.01 179.01 1aqy h VAL 57 N 0.49 1.16 -0.67 0.32 2.07 -1.40 -2.08 116.25 116.13 1aqy h VAL 57 Ca 0.06 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 1aqy h VAL 57 Cb 0.74 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1aqy h VAL 57 CO 0.06 0.15 0.16 0.58 0.02 0.00 0.00 177.57 178.54 1aqy h VAL 58 N 0.15 1.26 -0.53 2.57 2.07 -1.31 -2.62 116.25 117.84 1aqy h VAL 58 Ca 0.06 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1aqy h VAL 58 Cb 0.17 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1aqy h VAL 58 CO -0.01 0.36 0.24 0.22 0.02 0.00 0.00 177.57 178.41 1aqy h TYR 59 N 1.01 0.78 -0.54 1.57 3.20 -1.23 -1.77 116.97 120.00 1aqy h TYR 59 Ca 0.21 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1aqy h TYR 59 Cb 0.36 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 1aqy h TYR 59 CO 0.03 0.62 0.30 0.52 -1.64 0.00 0.00 178.16 177.99 1aqy h MET 60 N 0.72 0.73 -0.17 1.82 2.86 -1.21 -2.09 114.93 117.60 1aqy h MET 60 Ca 0.18 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1aqy h MET 60 Cb 0.15 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1aqy h MET 60 CO -0.02 0.54 0.04 0.82 1.06 0.00 0.00 176.91 179.35 1aqy h ILE 61 N 0.74 1.20 -0.64 -1.22 2.04 -1.05 0.57 117.51 119.16 1aqy h ILE 61 Ca 0.19 -0.63 0.09 0.00 1.00 0.00 0.00 64.86 65.51 1aqy h ILE 61 Cb 0.01 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1aqy h ILE 61 CO -0.03 0.19 0.43 1.88 0.00 0.00 0.00 178.15 180.62 1aqy h TYR 62 N 0.08 0.54 -0.51 1.37 -1.99 -0.87 -1.56 116.97 114.03 1aqy h TYR 62 Ca 0.05 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.80 1aqy h TYR 62 Cb 0.26 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.81 1aqy h TYR 62 CO 0.01 0.26 0.00 1.63 -0.00 0.00 0.00 178.16 180.06 1aqy n LYS 63 N -4.48 4.01 -3.97 4.88 4.76 -0.83 -4.95 118.16 117.57 1aqy n LYS 63 Ca 0.10 -2.59 -0.28 0.00 -2.87 0.00 0.00 58.31 52.67 1aqy n LYS 63 Cb 0.33 -2.05 -0.01 0.00 -1.84 0.00 0.00 35.03 31.47 1aqy n LYS 63 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1aqy n GLU 64 N 0.65 -3.95 -2.38 1.97 -0.58 -0.59 -2.39 120.64 113.37 1aqy n GLU 64 Ca 0.23 0.47 -0.15 0.00 -0.42 0.00 0.00 57.16 57.29 1aqy n GLU 64 Cb 0.97 -4.95 -0.00 0.00 -0.57 0.00 0.00 31.44 26.89 1aqy n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1aqy n GLY 65 N -1.73 -0.24 3.35 0.62 0.00 0.13 -4.99 105.19 102.33 1aqy n GLY 65 Ca -0.15 -0.23 -0.45 0.00 0.00 0.00 0.00 46.02 45.18 1aqy n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aqy s ASP 66 N -2.41 6.29 0.05 1.61 -0.00 -1.01 -4.97 116.67 116.23 1aqy s ASP 66 Ca 0.04 -1.78 -0.30 0.00 -0.00 0.00 0.00 52.55 50.50 1aqy s ASP 66 Cb -0.02 -2.26 -0.08 0.00 -0.00 0.00 0.00 42.92 40.56 1aqy s ASP 66 CO 0.05 -0.94 1.81 -0.69 -0.00 0.00 0.00 175.17 175.40 1aqy s VAL 67 N 1.90 3.02 0.00 -1.27 1.01 -1.26 -5.01 120.40 118.78 1aqy s VAL 67 Ca 0.10 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1aqy s VAL 67 Cb -0.24 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1aqy s VAL 67 CO 0.02 -0.01 0.00 -0.67 0.00 0.00 0.00 175.10 174.44 1aqy n ASP 73 N 6.61 0.00 -4.68 3.32 -0.08 -1.26 -5.27 116.55 115.20 1aqy n ASP 73 Ca 0.18 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.09 1aqy n ASP 73 Cb 0.41 -0.01 0.06 0.00 2.34 0.00 0.00 41.12 43.92 1aqy n ASP 73 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1aqy n ALA 74 N -0.02 0.74 0.13 -1.67 0.00 -1.26 -4.79 120.51 113.64 1aqy n ALA 74 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1aqy n ALA 74 Cb 0.00 -2.24 0.50 0.00 0.00 0.00 0.00 19.45 17.71 1aqy n ALA 74 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1aqy h ILE 75 N 0.48 1.09 0.00 0.00 2.10 -1.77 -1.61 117.51 117.80 1aqy h ILE 75 Ca -0.50 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.16 1aqy h ILE 75 Cb 1.35 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.96 1aqy h ILE 75 CO 0.52 0.10 0.00 2.22 -1.08 0.00 0.00 178.15 179.91 1aqy n PHE 76 N -4.45 0.00 -0.10 2.19 1.16 -1.26 -1.17 117.46 113.84 1aqy n PHE 76 Ca -0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.45 1aqy n PHE 76 Cb 0.13 -0.21 -0.10 0.00 -1.61 0.00 0.00 39.48 37.68 1aqy n PHE 76 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1aqy n ASN 77 N -1.21 2.09 0.06 5.98 3.02 -0.65 -4.14 115.26 120.40 1aqy n ASN 77 Ca 0.10 -0.08 -0.05 0.00 -0.03 0.00 0.00 54.58 54.51 1aqy n ASN 77 Cb 0.12 -0.02 0.13 0.00 -0.61 0.00 0.00 39.78 39.41 1aqy n ASN 77 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1aqy h ARG 78 N 0.00 0.36 -2.81 3.52 3.08 -1.16 -3.38 114.38 113.99 1aqy h ARG 78 Ca -0.45 -0.21 -0.60 0.00 0.07 0.00 0.00 59.98 58.79 1aqy h ARG 78 Cb 1.77 0.02 -0.40 0.00 0.08 0.00 0.00 29.97 31.44 1aqy h ARG 78 CO -0.05 0.78 -0.79 0.42 -1.07 0.00 0.00 179.97 179.27 1aqy s ILE 79 N -4.00 0.98 0.36 2.04 1.01 -0.32 -4.81 121.20 116.47 1aqy s ILE 79 Ca -0.05 -2.39 -0.28 0.00 0.00 0.00 0.00 60.65 57.93 1aqy s ILE 79 Cb 0.12 -1.69 -0.12 0.00 0.01 0.00 0.00 42.46 40.78 1aqy s ILE 79 CO 0.80 -0.96 1.31 -2.65 0.00 0.00 0.00 174.94 173.44 1aqy n PRO 80 N 3.55 2.17 -2.85 2.79 -0.02 -1.26 -4.57 135.00 134.81 1aqy n PRO 80 Ca 0.12 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.93 1aqy n PRO 80 Cb 0.37 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 1aqy n PRO 80 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1aqy s TYR 81 N -1.11 2.76 0.05 6.00 6.14 -1.26 -1.80 117.35 128.13 1aqy s TYR 81 Ca 0.56 -0.75 -0.09 0.00 0.64 0.00 0.00 57.07 57.43 1aqy s TYR 81 Cb -0.55 -4.32 -0.02 0.00 0.42 0.00 0.00 41.96 37.49 1aqy s TYR 81 CO 0.62 -1.64 0.80 -0.11 0.64 0.00 0.00 175.55 175.86 1aqy n LEU 82 N 7.53 -0.30 -0.35 6.97 7.94 -0.28 -2.05 117.00 136.45 1aqy n LEU 82 Ca 0.05 0.87 0.14 0.00 -1.11 0.00 0.00 56.01 55.96 1aqy n LEU 82 Cb 0.47 -0.25 0.63 0.00 0.53 0.00 0.00 43.42 44.80 1aqy n LEU 82 CO 0.61 -0.59 0.92 -1.84 -1.11 0.00 0.00 177.39 175.38 1aqy n GLU 83 N -3.60 1.46 -2.00 1.96 0.00 -1.26 -3.54 120.64 113.66 1aqy n GLU 83 Ca 0.01 -0.71 -0.42 0.00 0.00 0.00 0.00 57.16 56.04 1aqy n GLU 83 Cb 0.07 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.00 1aqy n GLU 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1aqy s ARG 85 N 0.88 0.70 -0.42 0.00 6.06 -1.26 -1.91 118.95 123.01 1aqy s ARG 85 Ca 0.67 1.01 0.04 0.00 -2.50 0.00 0.00 55.73 54.95 1aqy s ARG 85 Cb -0.42 0.24 0.17 0.00 0.06 0.00 0.00 34.95 35.00 1aqy s ARG 85 CO 0.33 -0.12 0.38 1.21 -2.50 0.00 0.00 175.30 174.60 1aqy s ASN 86 N 0.94 1.16 1.00 -2.12 3.84 -0.53 -4.43 114.94 114.80 1aqy s ASN 86 Ca -0.05 -2.72 0.00 0.00 0.21 0.00 0.00 52.86 50.30 1aqy s ASN 86 Cb -0.05 -0.06 0.00 0.00 -0.55 0.00 0.00 41.25 40.59 1aqy s ASN 86 CO -0.08 -0.17 0.00 -0.62 -2.79 0.00 0.00 177.10 173.43 1aqy n GLU 87 N 3.06 0.00 -0.07 0.43 -0.58 -1.26 -2.28 120.64 119.94 1aqy n GLU 87 Ca 0.26 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 57.12 1aqy n GLU 87 Cb 0.48 0.00 0.21 0.00 -0.57 0.00 0.00 31.44 31.56 1aqy n GLU 87 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1aqy n ASP 88 N 3.81 2.90 0.05 1.62 8.00 -1.26 -4.35 116.55 127.31 1aqy n ASP 88 Ca 0.00 -1.92 -0.19 0.00 0.71 0.00 0.00 54.79 53.39 1aqy n ASP 88 Cb 0.00 -0.09 -0.14 0.00 -0.02 0.00 0.00 41.12 40.86 1aqy n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1aqy h LEU 89 N 4.18 0.42 -7.95 0.64 5.85 -1.91 -3.46 115.31 113.09 1aqy h LEU 89 Ca 0.00 -0.67 -0.48 0.00 0.84 0.00 0.00 57.88 57.57 1aqy h LEU 89 Cb 0.90 -0.14 -0.33 0.00 0.37 0.00 0.00 40.66 41.47 1aqy h LEU 89 CO 0.00 1.57 -0.80 -0.63 -0.34 0.00 0.00 178.44 178.24 1aqy s ILE 90 N -2.59 0.95 -0.29 4.05 1.01 -1.16 -5.00 121.20 118.16 1aqy s ILE 90 Ca -0.13 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.16 1aqy s ILE 90 Cb 0.06 -0.87 0.18 0.00 0.01 0.00 0.00 42.46 41.84 1aqy s ILE 90 CO 0.84 0.31 0.50 0.21 0.00 0.00 0.00 174.94 176.79 1aqy s ASN 91 N 0.57 -0.61 0.31 3.58 3.04 -1.26 -1.46 114.94 119.10 1aqy s ASN 91 Ca -0.11 -0.06 0.04 0.00 0.04 0.00 0.00 52.86 52.78 1aqy s ASN 91 Cb -0.14 1.57 0.50 0.00 -1.54 0.00 0.00 41.25 41.65 1aqy s ASN 91 CO 0.02 -0.32 1.78 1.23 -3.04 0.00 0.00 177.10 176.77 1aqy h GLY 92 N 8.08 0.48 1.02 1.21 0.00 -1.57 -2.77 103.07 109.52 1aqy h GLY 92 Ca -0.06 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 1aqy h GLY 92 CO 0.21 0.33 0.11 -2.22 0.00 0.00 0.00 176.54 174.97 1aqy h ILE 93 N 0.41 1.25 -0.63 2.60 1.08 -1.82 -1.98 117.51 118.43 1aqy h ILE 93 Ca 0.07 -0.95 -0.04 0.00 -0.39 0.00 0.00 64.86 63.55 1aqy h ILE 93 Cb 0.56 0.77 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 1aqy h ILE 93 CO 0.04 0.35 0.24 0.50 -0.69 0.00 0.00 178.15 178.59 1aqy h LYS 94 N 0.83 0.95 -0.92 2.37 3.64 -1.91 -1.27 116.57 120.26 1aqy h LYS 94 Ca 0.17 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1aqy h LYS 94 Cb 0.40 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1aqy h LYS 94 CO 0.01 0.81 0.57 1.96 -2.27 0.00 0.00 179.45 180.53 1aqy h GLN 95 N 0.89 1.24 -0.16 1.90 4.20 -1.27 -2.77 115.11 119.13 1aqy h GLN 95 Ca 0.21 -0.10 -0.16 0.00 0.06 0.00 0.00 58.65 58.66 1aqy h GLN 95 Cb 0.22 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1aqy h GLN 95 CO -0.02 0.85 -0.58 -0.07 -0.67 0.00 0.00 178.83 178.35 1aqy h LEU 96 N 1.26 0.56 -1.72 1.46 3.38 -0.90 -2.67 115.31 116.67 1aqy h LEU 96 Ca 0.33 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1aqy h LEU 96 Cb -0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1aqy h LEU 96 CO -0.07 1.01 -0.18 0.11 0.09 0.00 0.00 178.44 179.41 1aqy h LYS 97 N 0.38 0.00 -0.37 1.13 1.57 -0.98 -2.43 116.57 115.87 1aqy h LYS 97 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1aqy h LYS 97 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1aqy h LYS 97 CO 0.10 0.18 0.00 0.39 -0.57 0.00 0.00 179.45 179.55 1aqy n GLU 98 N -4.01 2.44 -3.36 3.15 1.02 -1.08 -4.95 120.64 113.83 1aqy n GLU 98 Ca -0.02 -2.17 -0.38 0.00 -0.02 0.00 0.00 57.16 54.57 1aqy n GLU 98 Cb 0.26 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.11 1aqy n GLU 98 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1aqy s LYS 99 N -1.53 4.14 0.44 3.49 2.47 -0.92 -5.07 119.74 122.77 1aqy s LYS 99 Ca 0.38 0.55 -0.22 0.00 -1.56 0.00 0.00 55.97 55.12 1aqy s LYS 99 Cb 0.22 -3.29 -0.09 0.00 -1.46 0.00 0.00 37.83 33.21 1aqy s LYS 99 CO 0.31 0.52 1.02 -1.21 0.16 0.00 0.00 175.35 176.14 1aqy s GLU 100 N -0.59 4.04 0.47 4.03 8.01 -1.26 -4.94 118.70 128.46 1aqy s GLU 100 Ca 0.27 1.35 -0.20 0.00 0.01 0.00 0.00 54.97 56.40 1aqy s GLU 100 Cb -0.17 -2.27 -0.09 0.00 -4.31 0.00 0.00 34.13 27.28 1aqy s GLU 100 CO 0.15 -0.22 0.99 -1.12 0.01 0.00 0.00 175.26 175.06 1aqy s SER 101 N -1.89 6.66 -0.02 -0.19 0.01 -1.26 -4.02 113.70 112.98 1aqy s SER 101 Ca 0.63 1.73 -0.27 0.00 1.31 0.00 0.00 55.95 59.35 1aqy s SER 101 Cb -0.16 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.49 1aqy s SER 101 CO 0.21 -0.56 0.85 -2.16 0.41 0.00 0.00 173.24 171.98 1aqy s PRO 102 N -3.43 4.51 0.21 12.44 0.04 -1.26 -5.17 135.00 142.34 1aqy s PRO 102 Ca 0.63 1.17 -0.16 0.00 0.04 0.00 0.00 61.00 62.67 1aqy s PRO 102 Cb -0.11 -3.45 -0.08 0.00 0.04 0.00 0.00 34.50 30.90 1aqy s PRO 102 CO 0.20 0.02 0.65 1.03 0.04 0.00 0.00 177.00 178.94 1aqy s ARG 103 N 0.84 4.08 -0.17 4.56 0.52 -1.26 -5.01 118.95 122.52 1aqy s ARG 103 Ca 0.45 0.66 -0.01 0.00 -0.52 0.00 0.00 55.73 56.30 1aqy s ARG 103 Cb -0.20 -2.83 -0.01 0.00 0.52 0.00 0.00 34.95 32.44 1aqy s ARG 103 CO 0.23 0.39 -0.10 0.42 0.02 0.00 0.00 175.30 176.26 1aqy s ILE 104 N -1.58 3.08 -0.17 1.52 1.01 -1.26 -1.73 121.20 122.07 1aqy s ILE 104 Ca 0.43 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 1aqy s ILE 104 Cb -0.15 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 1aqy s ILE 104 CO 0.20 0.49 -0.11 -0.69 0.00 0.00 0.00 174.94 174.82 1aqy s VAL 105 N 0.87 3.01 -0.14 2.92 1.01 -0.15 -4.07 120.40 123.86 1aqy s VAL 105 Ca -0.03 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 1aqy s VAL 105 Cb -0.15 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1aqy s VAL 105 CO 0.00 0.49 0.13 -0.75 0.00 0.00 0.00 175.10 174.97 1aqy s LYS 106 N 0.88 3.57 0.09 2.72 2.20 -0.74 -0.74 119.74 127.72 1aqy s LYS 106 Ca -0.03 -0.17 -0.16 0.00 -0.36 0.00 0.00 55.97 55.25 1aqy s LYS 106 Cb -0.15 -3.21 0.03 0.00 -1.51 0.00 0.00 37.83 32.99 1aqy s LYS 106 CO -0.00 0.67 0.37 -0.08 -0.36 0.00 0.00 175.35 175.95 1aqy s THR 107 N -0.70 0.07 -0.01 3.43 -1.32 -0.90 -1.13 115.64 115.09 1aqy s THR 107 Ca 0.13 -0.61 0.01 0.00 -1.21 0.00 0.00 61.69 60.02 1aqy s THR 107 Cb -0.12 -1.09 0.02 0.00 -1.51 0.00 0.00 72.50 69.80 1aqy s THR 107 CO 0.03 -0.34 0.98 1.41 -2.21 0.00 0.00 174.62 174.49 1aqy n HIS 108 N 0.11 0.00 -2.53 9.09 8.25 -1.26 -2.57 115.22 126.31 1aqy n HIS 108 Ca -0.17 -0.51 -0.38 0.00 -0.26 0.00 0.00 57.72 56.40 1aqy n HIS 108 Cb 0.62 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.63 1aqy n HIS 108 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1aqy s LEU 109 N -1.08 4.30 0.72 2.41 1.43 -1.26 -4.78 118.68 120.42 1aqy s LEU 109 Ca 0.02 2.11 -0.11 0.00 -1.03 0.00 0.00 54.13 55.13 1aqy s LEU 109 Cb 0.02 -3.97 0.02 0.00 0.03 0.00 0.00 46.19 42.29 1aqy s LEU 109 CO 0.00 -0.34 1.07 -2.16 0.23 0.00 0.00 176.35 175.15 1aqy s PRO 110 N -2.08 2.71 0.35 1.29 0.04 -1.26 -4.85 135.00 131.21 1aqy s PRO 110 Ca 0.52 0.97 0.12 0.00 0.04 0.00 0.00 61.00 62.66 1aqy s PRO 110 Cb -0.25 -1.96 0.93 0.00 0.04 0.00 0.00 34.50 33.25 1aqy s PRO 110 CO 0.32 -1.26 1.78 -1.35 0.04 0.00 0.00 177.00 176.53 1aqy h PRO 111 N -0.84 0.55 0.00 0.56 0.11 -1.92 -2.12 132.00 128.34 1aqy h PRO 111 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1aqy h PRO 111 Cb 1.22 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1aqy h PRO 111 CO 0.56 0.36 0.00 0.36 -0.21 0.00 0.00 178.00 179.07 1aqy n LYS 112 N -4.70 0.19 -0.00 1.05 2.85 -1.26 -2.95 118.16 113.34 1aqy n LYS 112 Ca 0.24 0.41 0.07 0.00 -1.05 0.00 0.00 58.31 57.99 1aqy n LYS 112 Cb 0.72 -1.85 -0.09 0.00 -0.65 0.00 0.00 35.03 33.16 1aqy n LYS 112 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1aqy n LEU 113 N -2.20 0.73 -4.77 -5.58 4.77 -0.80 -5.00 117.00 104.15 1aqy n LEU 113 Ca 0.02 -0.50 -0.39 0.00 -0.03 0.00 0.00 56.01 55.11 1aqy n LEU 113 Cb 0.23 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1aqy n LEU 113 CO 0.19 0.18 0.92 -0.22 -1.33 0.00 0.00 177.39 177.13 1aqy s LEU 114 N -2.73 4.27 0.03 2.23 2.96 -1.15 -4.91 118.68 119.36 1aqy s LEU 114 Ca 0.06 2.55 -0.35 0.00 -0.22 0.00 0.00 54.13 56.16 1aqy s LEU 114 Cb 0.12 -3.88 -0.14 0.00 0.50 0.00 0.00 46.19 42.79 1aqy s LEU 114 CO 0.64 -0.70 1.61 -2.65 -1.32 0.00 0.00 176.35 173.93 1aqy n PRO 115 N 0.30 1.78 0.28 0.98 -0.02 -1.26 -4.84 135.00 132.21 1aqy n PRO 115 Ca 0.03 0.65 0.17 0.00 -2.02 0.00 0.00 63.50 62.32 1aqy n PRO 115 Cb 0.44 -2.39 0.92 0.00 -0.02 0.00 0.00 33.50 32.45 1aqy n PRO 115 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aqy h ALA 116 N 6.54 1.55 -0.26 3.55 0.00 -1.90 -2.59 119.26 126.15 1aqy h ALA 116 Ca -0.47 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.49 1aqy h ALA 116 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1aqy h ALA 116 CO 0.89 -0.10 0.18 1.03 0.00 0.00 0.00 179.25 181.25 1aqy h SER 117 N 0.00 0.13 -0.65 0.00 0.87 -1.89 -1.60 113.55 110.42 1aqy h SER 117 Ca 0.03 -0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 1aqy h SER 117 Cb 0.16 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 1aqy h SER 117 CO -0.00 0.09 0.09 -0.26 -0.53 0.00 0.00 176.83 176.22 1aqy h PHE 118 N 0.15 1.16 -0.12 2.24 0.04 -1.79 -1.94 116.94 116.69 1aqy h PHE 118 Ca 0.11 -0.16 -0.12 0.00 2.80 0.00 0.00 57.97 60.60 1aqy h PHE 118 Cb 0.26 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.10 1aqy h PHE 118 CO -0.00 0.98 -0.38 -1.49 -0.60 0.00 0.00 178.31 176.82 1aqy h TRP 119 N 1.02 0.62 -0.85 -0.55 4.06 -1.54 -2.86 115.95 115.85 1aqy h TRP 119 Ca 0.20 -0.25 0.07 0.00 2.06 0.00 0.00 58.89 60.97 1aqy h TRP 119 Cb 0.45 -0.11 -0.06 0.00 -1.00 0.00 0.00 29.16 28.45 1aqy h TRP 119 CO 0.03 0.99 0.55 0.93 -3.56 0.00 0.00 178.44 177.39 1aqy h GLU 120 N 0.07 0.90 -0.15 0.49 4.39 -1.19 -1.37 114.58 117.72 1aqy h GLU 120 Ca -0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1aqy h GLU 120 Cb 1.01 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1aqy h GLU 120 CO 0.08 0.59 0.00 1.63 -1.16 0.00 0.00 179.01 180.16 1aqy n LYS 121 N -4.49 1.70 -3.97 2.33 5.02 -0.74 -4.96 118.16 113.06 1aqy n LYS 121 Ca 0.13 -1.05 -0.30 0.00 -2.02 0.00 0.00 58.31 55.08 1aqy n LYS 121 Cb 0.23 -1.40 0.01 0.00 -0.02 0.00 0.00 35.03 33.85 1aqy n LYS 121 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1aqy n ASN 122 N 0.27 -3.22 -4.76 4.39 5.15 -0.52 -4.83 115.26 111.74 1aqy n ASN 122 Ca 0.16 -0.88 -0.36 0.00 -0.60 0.00 0.00 54.58 52.91 1aqy n ASN 122 Cb 0.32 -3.51 0.03 0.00 -0.53 0.00 0.00 39.78 36.09 1aqy n ASN 122 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1aqy s LYS 124 N -3.26 3.97 0.04 0.00 1.02 -1.26 -4.88 119.74 115.38 1aqy s LYS 124 Ca 0.76 1.62 -0.05 0.00 0.02 0.00 0.00 55.97 58.32 1aqy s LYS 124 Cb -0.30 -2.47 -0.01 0.00 -0.52 0.00 0.00 37.83 34.53 1aqy s LYS 124 CO 0.33 -0.33 0.08 -1.64 -0.92 0.00 0.00 175.35 172.87 1aqy s MET 125 N -2.61 0.58 -0.10 1.68 -1.94 -0.39 -2.37 119.30 114.14 1aqy s MET 125 Ca 0.61 -0.78 0.01 0.00 -1.71 0.00 0.00 55.69 53.81 1aqy s MET 125 Cb -0.25 0.22 0.02 0.00 2.01 0.00 0.00 34.83 36.84 1aqy s MET 125 CO 0.30 -0.14 -0.10 0.42 -0.01 0.00 0.00 175.02 175.49 1aqy s ILE 126 N -2.66 1.14 -0.13 2.53 1.01 0.48 -1.46 121.20 122.12 1aqy s ILE 126 Ca -0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 1aqy s ILE 126 Cb -0.01 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1aqy s ILE 126 CO -0.05 0.38 -0.10 -0.47 0.00 0.00 0.00 174.94 174.70 1aqy s TYR 127 N 1.34 2.88 -0.05 3.97 5.04 0.09 -1.03 117.35 129.59 1aqy s TYR 127 Ca -0.01 -0.46 0.05 0.00 -2.44 0.00 0.00 57.07 54.21 1aqy s TYR 127 Cb -0.14 -1.86 -0.01 0.00 0.35 0.00 0.00 41.96 40.31 1aqy s TYR 127 CO -0.05 -0.09 -0.22 -1.17 -1.34 0.00 0.00 175.55 172.68 1aqy s LEU 128 N 0.21 2.01 0.32 6.97 2.96 -0.95 -1.08 118.68 129.11 1aqy s LEU 128 Ca -0.06 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1aqy s LEU 128 Cb -0.15 -1.22 -0.06 0.00 0.50 0.00 0.00 46.19 45.27 1aqy s LEU 128 CO 0.04 0.21 0.06 0.00 -1.32 0.00 0.00 176.35 175.34 1aqy s ARG 130 N -3.91 0.64 0.31 0.00 3.52 -1.26 -1.17 118.95 117.08 1aqy s ARG 130 Ca 0.37 -0.62 -0.30 0.00 -0.13 0.00 0.00 55.73 55.05 1aqy s ARG 130 Cb 0.09 0.26 -0.11 0.00 -1.56 0.00 0.00 34.95 33.63 1aqy s ARG 130 CO 0.15 -0.17 1.57 0.54 -0.81 0.00 0.00 175.30 176.58 1aqy s ASN 131 N -1.99 6.37 0.28 -2.12 4.22 -1.26 -4.82 114.94 115.62 1aqy s ASN 131 Ca -0.07 2.96 0.01 0.00 -2.14 0.00 0.00 52.86 53.63 1aqy s ASN 131 Cb -0.02 -2.64 0.65 0.00 1.28 0.00 0.00 41.25 40.51 1aqy s ASN 131 CO -0.03 -0.90 1.68 0.00 -2.04 0.00 0.00 177.10 175.80 1aqy h ALA 132 N 4.52 1.24 -0.45 3.54 0.00 -2.00 -2.33 119.26 123.78 1aqy h ALA 132 Ca -0.48 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1aqy h ALA 132 Cb 1.22 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1aqy h ALA 132 CO 0.77 -0.38 -0.06 0.87 0.00 0.00 0.00 179.25 180.44 1aqy h LYS 133 N 0.30 0.78 0.00 0.00 1.57 -2.00 -2.05 116.57 115.17 1aqy h LYS 133 Ca 0.52 -0.24 -0.12 0.00 -1.87 0.00 0.00 60.65 58.94 1aqy h LYS 133 Cb 0.98 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1aqy h LYS 133 CO -0.57 0.83 -0.57 -0.44 -0.57 0.00 0.00 179.45 178.13 1aqy h ASP 134 N 0.72 0.00 -0.33 0.86 3.32 -1.82 -3.02 116.42 116.15 1aqy h ASP 134 Ca 0.13 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1aqy h ASP 134 Cb 0.53 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1aqy h ASP 134 CO 0.03 0.57 -0.25 0.58 -1.72 0.00 0.00 179.24 178.46 1aqy h VAL 135 N 0.00 1.29 -0.91 -1.35 2.07 -1.13 -2.85 116.25 113.37 1aqy h VAL 135 Ca -0.01 -1.39 0.04 0.00 0.82 0.00 0.00 66.70 66.16 1aqy h VAL 135 Cb 1.17 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 1aqy h VAL 135 CO 0.07 0.45 0.59 0.00 0.02 0.00 0.00 177.57 178.71 1aqy h ALA 136 N 0.75 1.20 -0.15 1.67 0.00 -1.30 -0.38 119.26 121.05 1aqy h ALA 136 Ca 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1aqy h ALA 136 Cb 0.81 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1aqy h ALA 136 CO 0.07 0.44 0.02 0.28 0.00 0.00 0.00 179.25 180.06 1aqy h VAL 137 N 1.14 1.22 -0.63 0.00 2.07 -1.50 -2.17 116.25 116.38 1aqy h VAL 137 Ca 0.36 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1aqy h VAL 137 Cb 0.02 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1aqy h VAL 137 CO -0.12 0.21 0.15 -1.28 0.02 0.00 0.00 177.57 176.55 1aqy h SER 138 N 0.04 0.93 0.21 0.57 0.87 -1.26 -2.85 113.55 112.07 1aqy h SER 138 Ca 0.05 -0.19 -0.12 0.00 -1.23 0.00 0.00 61.79 60.30 1aqy h SER 138 Cb 0.30 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1aqy h SER 138 CO 0.00 0.90 -0.46 0.22 -0.53 0.00 0.00 176.83 176.97 1aqy h TYR 139 N 0.94 0.36 -0.44 2.24 5.03 -1.05 -2.65 116.97 121.41 1aqy h TYR 139 Ca 0.20 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 61.40 1aqy h TYR 139 Cb 0.34 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.52 1aqy h TYR 139 CO 0.02 0.71 0.28 -0.92 -1.32 0.00 0.00 178.16 176.93 1aqy h TYR 140 N 0.24 0.56 0.00 -3.82 3.20 -1.15 -2.46 116.97 113.54 1aqy h TYR 140 Ca 0.02 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 1aqy h TYR 140 Cb 0.90 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1aqy h TYR 140 CO 0.02 0.37 -0.49 1.88 -1.64 0.00 0.00 178.16 178.30 1aqy h TYR 141 N 0.59 0.00 -0.62 -3.82 0.05 -1.46 -3.07 116.97 108.63 1aqy h TYR 141 Ca 0.16 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.88 1aqy h TYR 141 Cb -0.04 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 1aqy h TYR 141 CO -0.04 0.49 0.15 0.35 -1.05 0.00 0.00 178.16 178.06 1aqy h PHE 142 N 0.00 1.05 -0.21 4.88 3.57 -1.09 -1.51 116.94 123.63 1aqy h PHE 142 Ca -0.00 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.32 1aqy h PHE 142 Cb 0.89 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1aqy h PHE 142 CO 0.00 0.88 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.79 1aqy h LEU 143 N 0.91 0.31 -0.51 0.59 4.07 -1.36 -1.58 115.31 117.75 1aqy h LEU 143 Ca 0.20 -0.07 -0.16 0.00 0.08 0.00 0.00 57.88 57.93 1aqy h LEU 143 Cb 0.36 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 1aqy h LEU 143 CO 0.00 0.45 -0.48 -0.07 -1.08 0.00 0.00 178.44 177.26 1aqy h LEU 144 N 0.32 0.72 -0.49 1.67 3.38 -1.42 -3.27 115.31 116.23 1aqy h LEU 144 Ca 0.06 -0.36 -0.14 0.00 0.09 0.00 0.00 57.88 57.53 1aqy h LEU 144 Cb 0.38 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1aqy h LEU 144 CO 0.02 1.09 -0.30 -0.03 0.09 0.00 0.00 178.44 179.31 1aqy h MET 145 N 0.52 0.92 -6.38 1.13 4.05 -0.71 -3.43 114.93 111.04 1aqy h MET 145 Ca 0.03 -0.43 -0.57 0.00 -0.28 0.00 0.00 59.70 58.45 1aqy h MET 145 Cb 1.03 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.77 1aqy h MET 145 CO 0.10 1.09 0.96 0.42 0.23 0.00 0.00 176.91 179.71 1aqy s ILE 146 N -4.53 4.17 0.33 1.77 -1.09 -0.65 -2.10 121.20 119.11 1aqy s ILE 146 Ca -0.11 1.31 0.03 0.00 -2.23 0.00 0.00 60.65 59.66 1aqy s ILE 146 Cb 0.12 -4.22 0.29 0.00 -1.58 0.00 0.00 42.46 37.06 1aqy s ILE 146 CO 0.87 -0.53 1.94 0.71 -1.23 0.00 0.00 174.94 176.70 1aqy h THR 147 N 5.99 1.05 -0.05 2.92 1.35 -1.72 -2.46 112.91 119.99 1aqy h THR 147 Ca -0.25 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1aqy h THR 147 Cb 1.09 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1aqy h THR 147 CO 1.04 0.16 0.00 -1.54 -0.25 0.00 0.00 175.52 174.93 1aqy n SER 148 N -4.48 0.73 -4.53 5.36 3.41 -1.26 -4.79 113.62 108.05 1aqy n SER 148 Ca 0.12 -1.46 -0.35 0.00 -0.26 0.00 0.00 58.87 56.92 1aqy n SER 148 Cb 0.20 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.01 1aqy n SER 148 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1aqy s TYR 149 N -1.93 3.14 0.11 7.33 2.02 -0.93 -5.03 117.35 122.06 1aqy s TYR 149 Ca 0.34 -0.19 -0.32 0.00 -0.37 0.00 0.00 57.07 56.53 1aqy s TYR 149 Cb 0.17 -2.12 -0.11 0.00 -0.40 0.00 0.00 41.96 39.49 1aqy s TYR 149 CO 0.27 -0.09 1.81 -2.30 -1.57 0.00 0.00 175.55 173.68 1aqy n PRO 150 N 4.11 2.66 -2.04 -1.71 -0.02 -1.26 -4.82 135.00 131.91 1aqy n PRO 150 Ca -0.16 0.97 -0.42 0.00 -2.02 0.00 0.00 63.50 61.86 1aqy n PRO 150 Cb 0.52 -2.84 -0.03 0.00 -0.02 0.00 0.00 33.50 31.13 1aqy n PRO 150 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1aqy s ASN 151 N 2.63 6.70 0.54 2.55 0.02 -1.26 -4.92 114.94 121.19 1aqy s ASN 151 Ca 0.83 2.45 -0.22 0.00 -1.02 0.00 0.00 52.86 54.89 1aqy s ASN 151 Cb -0.53 -2.58 -0.05 0.00 0.02 0.00 0.00 41.25 38.11 1aqy s ASN 151 CO 0.39 -0.76 1.35 -2.65 0.02 0.00 0.00 177.10 175.44 1aqy n PRO 152 N 4.35 1.71 0.06 -0.60 -0.02 -1.26 -4.90 135.00 134.34 1aqy n PRO 152 Ca 0.13 0.63 0.02 0.00 -2.02 0.00 0.00 63.50 62.26 1aqy n PRO 152 Cb 0.41 -2.55 0.38 0.00 -0.02 0.00 0.00 33.50 31.71 1aqy n PRO 152 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1aqy h LYS 153 N 1.49 0.40 -2.30 -0.52 1.79 -1.96 -3.46 116.57 112.00 1aqy h LYS 153 Ca -0.51 -0.07 0.14 0.00 -2.18 0.00 0.00 60.65 58.04 1aqy h LYS 153 Cb 1.30 -0.07 -0.12 0.00 -1.58 0.00 0.00 32.23 31.77 1aqy h LYS 153 CO 0.57 0.42 0.49 -1.54 -1.08 0.00 0.00 179.45 178.31 1aqy s SER 154 N -6.79 -0.28 0.18 0.86 1.04 -1.26 -5.02 113.70 102.42 1aqy s SER 154 Ca -0.07 -0.18 -0.13 0.00 0.48 0.00 0.00 55.95 56.06 1aqy s SER 154 Cb 0.16 0.43 0.09 0.00 0.10 0.00 0.00 66.02 66.79 1aqy s SER 154 CO 0.74 -0.74 1.83 0.15 0.98 0.00 0.00 173.24 176.20 1aqy h PHE 155 N 2.00 0.76 -0.88 5.02 3.57 -1.97 -2.40 116.94 123.04 1aqy h PHE 155 Ca -0.23 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.30 1aqy h PHE 155 Cb 1.24 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.67 1aqy h PHE 155 CO 0.31 0.51 0.57 0.77 -2.23 0.00 0.00 178.31 178.23 1aqy h SER 156 N 0.80 0.95 -0.69 0.41 0.02 -1.97 -1.12 113.55 111.95 1aqy h SER 156 Ca 0.21 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1aqy h SER 156 Cb -0.05 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 1aqy h SER 156 CO -0.04 0.65 0.44 -0.08 -1.14 0.00 0.00 176.83 176.66 1aqy h GLU 157 N 1.11 0.85 -0.56 3.45 4.57 -1.87 -1.68 114.58 120.45 1aqy h GLU 157 Ca 0.35 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.44 1aqy h GLU 157 Cb -0.01 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.37 1aqy h GLU 157 CO -0.11 0.56 0.20 0.35 -1.18 0.00 0.00 179.01 178.83 1aqy h PHE 158 N 0.88 0.87 -0.46 0.92 3.57 -0.89 -2.98 116.94 118.84 1aqy h PHE 158 Ca 0.26 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1aqy h PHE 158 Cb -0.04 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 1aqy h PHE 158 CO -0.04 0.72 0.11 0.28 -2.23 0.00 0.00 178.31 177.15 1aqy h VAL 159 N 0.77 1.20 -0.95 1.41 2.07 -0.76 -0.66 116.25 119.34 1aqy h VAL 159 Ca 0.18 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1aqy h VAL 159 Cb 0.24 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1aqy h VAL 159 CO -0.01 0.27 0.60 -0.33 0.02 0.00 0.00 177.57 178.12 1aqy h GLU 160 N 0.68 1.27 -0.37 1.57 4.39 -1.18 -1.63 114.58 119.32 1aqy h GLU 160 Ca 0.15 -0.10 -0.16 0.00 0.34 0.00 0.00 59.36 59.59 1aqy h GLU 160 Cb 0.26 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1aqy h GLU 160 CO -0.00 0.86 -0.41 0.87 -1.16 0.00 0.00 179.01 179.18 1aqy h LYS 161 N 1.30 0.91 -0.63 2.33 1.57 -1.27 -3.05 116.57 117.73 1aqy h LYS 161 Ca 0.34 -0.49 0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1aqy h LYS 161 Cb -0.10 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 1aqy h LYS 161 CO -0.07 1.14 0.40 0.35 -0.57 0.00 0.00 179.45 180.70 1aqy h PHE 162 N 0.74 0.75 0.00 -1.35 3.04 -0.63 -0.89 116.94 118.59 1aqy h PHE 162 Ca 0.05 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.98 1aqy h PHE 162 Cb 1.00 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.26 1aqy h PHE 162 CO 0.06 0.44 -0.20 0.52 -2.02 0.00 0.00 178.31 177.12 1aqy h MET 163 N 0.80 0.00 -0.00 1.11 2.86 -1.31 -2.30 114.93 116.08 1aqy h MET 163 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1aqy h MET 163 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1aqy h MET 163 CO -0.09 0.20 -0.32 1.04 1.06 0.00 0.00 176.91 178.80 1aqy n GLN 164 N -4.13 0.16 -1.11 1.72 6.02 -0.77 -4.93 117.38 114.34 1aqy n GLN 164 Ca -0.02 -0.07 -0.04 0.00 -0.01 0.00 0.00 57.00 56.86 1aqy n GLN 164 Cb 0.27 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.01 1aqy n GLN 164 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aqy n GLY 165 N 1.46 0.67 2.75 1.08 0.00 -0.64 -4.89 105.19 105.62 1aqy n GLY 165 Ca 0.07 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 1aqy n GLY 165 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1aqy n GLN 166 N -2.88 2.63 -4.22 1.61 1.13 -0.43 -3.92 117.38 111.30 1aqy n GLN 166 Ca -0.04 -3.14 -0.13 0.00 -1.94 0.00 0.00 57.00 51.75 1aqy n GLN 166 Cb 0.13 -2.22 -0.10 0.00 0.11 0.00 0.00 30.24 28.15 1aqy n GLN 166 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1aqy s VAL 167 N -4.22 0.87 0.18 5.09 -7.23 -1.26 -4.80 120.40 109.02 1aqy s VAL 167 Ca 0.54 -1.99 -0.33 0.00 -1.81 0.00 0.00 61.98 58.39 1aqy s VAL 167 Cb 0.42 -1.84 -0.14 0.00 0.56 0.00 0.00 36.38 35.38 1aqy s VAL 167 CO -0.34 -0.74 1.42 -2.65 -0.31 0.00 0.00 175.10 172.49 1aqy n PRO 168 N -0.15 1.81 -0.83 4.82 -0.02 -1.26 -1.33 135.00 138.04 1aqy n PRO 168 Ca -0.10 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1aqy n PRO 168 Cb 0.61 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1aqy n PRO 168 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1aqy n TYR 169 N 2.49 0.00 -4.41 6.00 4.01 0.51 -4.96 117.16 120.80 1aqy n TYR 169 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1aqy n TYR 169 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1aqy n TYR 169 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1aqy n GLY 170 N -2.48 -0.13 3.66 2.72 0.00 -0.44 -4.84 105.19 103.68 1aqy n GLY 170 Ca 0.00 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 1aqy n GLY 170 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aqy s SER 171 N -4.00 6.56 0.26 1.61 0.15 -1.25 -4.66 113.70 112.36 1aqy s SER 171 Ca 0.00 2.37 -0.04 0.00 0.70 0.00 0.00 55.95 58.98 1aqy s SER 171 Cb 0.00 -2.53 0.32 0.00 -1.71 0.00 0.00 66.02 62.09 1aqy s SER 171 CO 0.00 -1.00 1.85 -0.25 1.20 0.00 0.00 173.24 175.04 1aqy h TRP 172 N 10.06 1.06 -0.13 3.44 7.01 -1.89 -1.94 115.95 133.56 1aqy h TRP 172 Ca -0.43 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 60.52 1aqy h TRP 172 Cb 1.20 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.93 1aqy h TRP 172 CO 0.91 0.78 0.07 1.88 -2.79 0.00 0.00 178.44 179.30 1aqy h TYR 173 N 1.04 0.17 -0.51 2.65 0.05 -1.94 -1.75 116.97 116.68 1aqy h TYR 173 Ca 0.25 -0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.95 1aqy h TYR 173 Cb 0.14 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 1aqy h TYR 173 CO 0.01 0.18 0.02 -0.44 -1.05 0.00 0.00 178.16 176.88 1aqy h ASP 174 N 0.12 0.81 0.21 3.88 3.32 -1.94 -2.37 116.42 120.45 1aqy h ASP 174 Ca 0.05 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1aqy h ASP 174 Cb 0.06 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1aqy h ASP 174 CO -0.01 0.87 -0.10 -0.74 -1.72 0.00 0.00 179.24 177.54 1aqy h HIS 175 N 0.79 -0.26 -0.32 4.55 2.76 -1.14 -2.21 115.15 119.32 1aqy h HIS 175 Ca 0.15 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 1aqy h HIS 175 Cb 0.45 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 1aqy h HIS 175 CO 0.03 -0.09 0.04 0.28 -1.30 0.00 0.00 177.93 176.89 1aqy h VAL 176 N -0.38 1.24 -0.80 5.26 2.07 -1.32 -2.56 116.25 119.76 1aqy h VAL 176 Ca -0.03 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1aqy h VAL 176 Cb 0.29 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1aqy h VAL 176 CO 0.05 0.28 0.44 0.11 0.02 0.00 0.00 177.57 178.46 1aqy h LYS 177 N 0.36 1.11 -0.36 1.57 1.57 -1.45 -1.14 116.57 118.23 1aqy h LYS 177 Ca 0.10 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1aqy h LYS 177 Cb 0.36 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1aqy h LYS 177 CO 0.01 0.82 -0.16 0.00 -0.57 0.00 0.00 179.45 179.54 1aqy h ALA 178 N 1.23 0.50 0.00 3.86 0.00 -1.37 -2.77 119.26 120.72 1aqy h ALA 178 Ca 0.28 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1aqy h ALA 178 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1aqy h ALA 178 CO -0.05 0.42 -0.49 -1.49 0.00 0.00 0.00 179.25 177.65 1aqy h TRP 179 N 0.53 0.00 -0.65 0.00 4.06 -1.36 -2.69 115.95 115.84 1aqy h TRP 179 Ca 0.08 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.94 1aqy h TRP 179 Cb 0.70 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.84 1aqy h TRP 179 CO 0.06 0.49 0.06 2.35 -3.56 0.00 0.00 178.44 177.84 1aqy h TRP 180 N 0.00 1.18 -0.72 0.49 2.91 -1.14 -2.12 115.95 116.55 1aqy h TRP 180 Ca -0.00 -0.18 -0.03 0.00 1.13 0.00 0.00 58.89 59.81 1aqy h TRP 180 Cb 0.94 -0.32 -0.03 0.00 -0.51 0.00 0.00 29.16 29.24 1aqy h TRP 180 CO 0.00 1.01 0.34 1.49 -1.03 0.00 0.00 178.44 180.25 1aqy h GLU 181 N 1.02 1.04 0.00 2.65 4.22 -1.27 -2.48 114.58 119.75 1aqy h GLU 181 Ca 0.19 -0.16 -0.05 0.00 0.08 0.00 0.00 59.36 59.43 1aqy h GLU 181 Cb 0.50 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1aqy h GLU 181 CO 0.02 0.82 -0.23 0.87 -2.18 0.00 0.00 179.01 178.31 1aqy h LYS 182 N 1.01 0.00 0.00 1.92 1.79 -1.15 -2.93 116.57 117.20 1aqy h LYS 182 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1aqy h LYS 182 Cb 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1aqy h LYS 182 CO -0.03 0.23 0.00 -1.13 -1.08 0.00 0.00 179.45 177.44 1aqy n SER 183 N -4.01 0.00 0.22 0.86 3.41 -0.83 -2.41 113.62 110.85 1aqy n SER 183 Ca -0.02 -0.65 0.06 0.00 -0.26 0.00 0.00 58.87 58.00 1aqy n SER 183 Cb 0.30 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.74 1aqy n SER 183 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1aqy h LYS 184 N 0.00 0.00 -6.70 4.33 1.57 -1.65 -3.42 116.57 110.69 1aqy h LYS 184 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1aqy h LYS 184 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.34 1aqy h LYS 184 CO 0.00 0.26 0.63 1.21 -0.57 0.00 0.00 179.45 180.97 1aqy s ASN 185 N -6.69 6.93 0.36 0.86 3.84 -1.01 -4.92 114.94 114.31 1aqy s ASN 185 Ca -0.03 2.40 0.26 0.00 0.21 0.00 0.00 52.86 55.70 1aqy s ASN 185 Cb 0.14 -2.61 1.22 0.00 -0.55 0.00 0.00 41.25 39.44 1aqy s ASN 185 CO 0.68 -0.48 1.80 0.77 -2.79 0.00 0.00 177.10 177.07 1aqy h SER 186 N 5.05 0.00 -0.35 -4.21 4.64 -1.91 -2.54 113.55 114.22 1aqy h SER 186 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1aqy h SER 186 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1aqy h SER 186 CO 0.75 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.25 1aqy n ARG 187 N -2.45 2.11 -3.95 4.77 1.74 -1.26 -4.71 116.66 112.91 1aqy n ARG 187 Ca 0.00 -1.69 -0.31 0.00 -0.77 0.00 0.00 57.85 55.08 1aqy n ARG 187 Cb 0.17 -1.43 -0.15 0.00 -1.02 0.00 0.00 32.46 30.04 1aqy n ARG 187 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1aqy s VAL 188 N -1.54 1.80 -0.05 1.55 1.01 -0.96 -1.26 120.40 120.96 1aqy s VAL 188 Ca 0.35 -1.75 -0.23 0.00 0.00 0.00 0.00 61.98 60.35 1aqy s VAL 188 Cb 0.19 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1aqy s VAL 188 CO 0.26 -0.38 0.67 -0.22 0.00 0.00 0.00 175.10 175.43 1aqy s LEU 189 N 1.20 4.34 -0.19 3.92 2.96 -0.53 -4.62 118.68 125.75 1aqy s LEU 189 Ca 0.03 1.18 -0.05 0.00 -0.22 0.00 0.00 54.13 55.07 1aqy s LEU 189 Cb -0.19 -3.04 -0.02 0.00 0.50 0.00 0.00 46.19 43.44 1aqy s LEU 189 CO -0.10 -0.06 -0.01 0.12 -1.32 0.00 0.00 176.35 174.99 1aqy s PHE 190 N 0.53 3.04 0.18 5.38 2.19 -1.26 -0.73 117.98 127.31 1aqy s PHE 190 Ca 0.36 -0.42 0.01 0.00 0.33 0.00 0.00 56.93 57.21 1aqy s PHE 190 Cb -0.18 -2.06 -0.05 0.00 -1.31 0.00 0.00 43.02 39.43 1aqy s PHE 190 CO 0.18 -0.19 0.03 -1.64 1.83 0.00 0.00 175.22 175.43 1aqy s MET 191 N 0.85 1.14 -0.02 10.12 -1.94 -0.24 -5.00 119.30 124.22 1aqy s MET 191 Ca 0.00 -1.57 0.06 0.00 -1.71 0.00 0.00 55.69 52.48 1aqy s MET 191 Cb -0.14 -0.16 -0.01 0.00 2.01 0.00 0.00 34.83 36.53 1aqy s MET 191 CO 0.02 -0.19 -0.20 -0.06 -0.01 0.00 0.00 175.02 174.57 1aqy s PHE 192 N -3.76 1.86 0.19 -0.03 0.40 -1.26 -1.98 117.98 113.40 1aqy s PHE 192 Ca 0.27 -0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 56.11 1aqy s PHE 192 Cb 0.07 -1.20 0.16 0.00 0.51 0.00 0.00 43.02 42.55 1aqy s PHE 192 CO 0.06 -0.06 1.83 -0.92 0.70 0.00 0.00 175.22 176.83 1aqy h TYR 193 N 5.72 0.70 0.00 0.36 3.20 -1.42 -2.17 116.97 123.35 1aqy h TYR 193 Ca -0.38 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.48 1aqy h TYR 193 Cb 1.14 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 1aqy h TYR 193 CO 0.40 0.39 -0.13 0.93 -1.64 0.00 0.00 178.16 178.11 1aqy h GLU 194 N 0.73 0.00 -0.00 1.82 3.07 -1.96 -1.73 114.58 116.51 1aqy h GLU 194 Ca 0.25 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.90 1aqy h GLU 194 Cb 0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1aqy h GLU 194 CO -0.11 0.13 -0.92 -0.44 -1.40 0.00 0.00 179.01 176.27 1aqy h ASP 195 N 0.00 0.47 0.24 1.42 3.32 -1.80 -1.80 116.42 118.27 1aqy h ASP 195 Ca -0.00 -0.37 -0.11 0.00 0.02 0.00 0.00 57.03 56.57 1aqy h ASP 195 Cb 0.34 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1aqy h ASP 195 CO 0.02 1.17 -0.42 0.24 -1.72 0.00 0.00 179.24 178.52 1aqy h MET 196 N 0.20 0.24 -0.10 3.56 2.86 -1.17 0.08 114.93 120.59 1aqy h MET 196 Ca -0.07 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.40 1aqy h MET 196 Cb 1.55 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.21 1aqy h MET 196 CO 0.15 0.62 -0.17 0.87 1.06 0.00 0.00 176.91 179.45 1aqy h LYS 197 N 0.20 0.29 0.00 1.72 1.79 -1.26 -3.13 116.57 116.19 1aqy h LYS 197 Ca 0.02 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1aqy h LYS 197 Cb 0.84 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1aqy h LYS 197 CO 0.07 0.76 -0.64 0.93 -1.08 0.00 0.00 179.45 179.49 1aqy h GLU 198 N -0.15 0.00 -0.66 3.15 4.39 -1.28 -3.41 114.58 116.61 1aqy h GLU 198 Ca 0.01 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 1aqy h GLU 198 Cb 0.74 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.16 1aqy h GLU 198 CO 0.04 0.00 -0.69 -3.47 -1.16 0.00 0.00 179.01 173.73 1aqy n ASP 199 N -2.32 -1.48 -0.26 1.42 -0.08 0.01 -5.02 116.55 108.81 1aqy n ASP 199 Ca 0.03 -3.36 0.00 0.00 -1.51 0.00 0.00 54.79 49.95 1aqy n ASP 199 Cb 0.47 1.07 0.13 0.00 2.34 0.00 0.00 41.12 45.13 1aqy n ASP 199 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1aqy h ILE 200 N 2.44 0.94 -0.65 5.18 6.09 -1.67 -2.86 117.51 126.98 1aqy h ILE 200 Ca -0.05 -0.25 0.03 0.00 -1.37 0.00 0.00 64.86 63.22 1aqy h ILE 200 Cb 1.03 0.14 -0.04 0.00 0.47 0.00 0.00 36.82 38.42 1aqy h ILE 200 CO 0.29 0.13 0.40 -0.09 -3.07 0.00 0.00 178.15 175.81 1aqy h ARG 201 N 0.73 0.76 -0.43 2.19 2.43 -1.94 -0.53 114.38 117.59 1aqy h ARG 201 Ca 0.34 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 1aqy h ARG 201 Cb 0.27 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1aqy h ARG 201 CO -0.22 0.50 0.10 -0.09 -1.51 0.00 0.00 179.97 178.75 1aqy h ARG 202 N 0.78 0.70 -0.39 0.20 2.43 -1.92 -2.32 114.38 113.86 1aqy h ARG 202 Ca 0.26 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1aqy h ARG 202 Cb 0.02 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1aqy h ARG 202 CO -0.11 0.71 -0.01 0.93 -1.51 0.00 0.00 179.97 179.99 1aqy h GLU 203 N 0.56 0.62 -0.28 0.20 4.39 -1.26 -2.09 114.58 116.72 1aqy h GLU 203 Ca 0.13 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 1aqy h GLU 203 Cb 0.33 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1aqy h GLU 203 CO 0.00 0.65 -0.30 0.28 -1.16 0.00 0.00 179.01 178.48 1aqy h VAL 204 N 0.59 1.30 -0.81 3.13 2.07 -0.99 -2.32 116.25 119.22 1aqy h VAL 204 Ca 0.12 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 1aqy h VAL 204 Cb 0.38 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1aqy h VAL 204 CO 0.01 0.47 0.38 0.58 0.02 0.00 0.00 177.57 179.04 1aqy h VAL 205 N 0.45 1.25 -0.71 2.57 2.07 -1.28 -1.47 116.25 119.12 1aqy h VAL 205 Ca 0.04 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1aqy h VAL 205 Cb 0.87 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1aqy h VAL 205 CO 0.07 0.30 0.35 0.50 0.02 0.00 0.00 177.57 178.82 1aqy h LYS 206 N 1.15 1.01 -0.47 1.57 3.64 -1.29 -2.20 116.57 119.98 1aqy h LYS 206 Ca 0.28 -0.14 -0.14 0.00 -1.27 0.00 0.00 60.65 59.37 1aqy h LYS 206 Cb 0.12 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1aqy h LYS 206 CO -0.03 0.79 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.61 1aqy h LEU 207 N 0.99 1.02 -0.77 5.20 3.38 -1.03 -1.69 115.31 122.41 1aqy h LEU 207 Ca 0.24 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1aqy h LEU 207 Cb 0.10 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1aqy h LEU 207 CO -0.03 1.21 0.45 0.40 0.09 0.00 0.00 178.44 180.56 1aqy h ILE 208 N 0.84 1.22 -0.26 1.22 2.04 -1.08 -2.06 117.51 119.43 1aqy h ILE 208 Ca 0.10 -0.52 -0.16 0.00 1.00 0.00 0.00 64.86 65.28 1aqy h ILE 208 Cb 0.84 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1aqy h ILE 208 CO 0.07 0.24 -0.50 -0.33 0.00 0.00 0.00 178.15 177.63 1aqy h GLU 209 N 1.06 0.72 -0.26 2.37 5.08 -1.30 -1.52 114.58 120.72 1aqy h GLU 209 Ca 0.27 -0.43 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1aqy h GLU 209 Cb -0.01 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1aqy h GLU 209 CO -0.05 1.05 -0.04 0.35 -1.00 0.00 0.00 179.01 179.32 1aqy h PHE 210 N 0.56 0.42 -0.31 4.33 3.57 -1.09 -1.32 116.94 123.10 1aqy h PHE 210 Ca 0.02 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1aqy h PHE 210 Cb 1.07 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1aqy h PHE 210 CO 0.05 0.45 0.00 1.28 -2.23 0.00 0.00 178.31 177.87 1aqy n LEU 211 N -4.29 2.69 -3.66 0.59 4.77 -0.79 -4.93 117.00 111.36 1aqy n LEU 211 Ca 0.01 -1.35 -0.22 0.00 -0.03 0.00 0.00 56.01 54.41 1aqy n LEU 211 Cb 0.24 -0.44 0.04 0.00 -2.33 0.00 0.00 43.42 40.93 1aqy n LEU 211 CO 0.38 0.45 -0.06 -0.62 -1.33 0.00 0.00 177.39 176.21 1aqy n GLU 212 N 0.40 -4.07 -4.44 3.23 1.02 -0.50 -5.02 120.64 111.26 1aqy n GLU 212 Ca 0.13 0.61 -0.22 0.00 -0.02 0.00 0.00 57.16 57.66 1aqy n GLU 212 Cb 0.53 -5.06 -0.09 0.00 -0.02 0.00 0.00 31.44 26.80 1aqy n GLU 212 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1aqy s ARG 213 N -5.85 1.74 -0.25 3.49 0.52 -0.58 -5.03 118.95 112.99 1aqy s ARG 213 Ca 0.11 -2.01 -0.12 0.00 -0.52 0.00 0.00 55.73 53.19 1aqy s ARG 213 Cb -0.03 -0.53 -0.05 0.00 0.52 0.00 0.00 34.95 34.87 1aqy s ARG 213 CO 0.81 -0.38 0.21 0.15 0.02 0.00 0.00 175.30 176.11 1aqy s LYS 214 N -3.81 4.05 -0.68 3.54 1.02 -1.26 -4.30 119.74 118.30 1aqy s LYS 214 Ca 0.31 -0.21 -0.07 0.00 0.02 0.00 0.00 55.97 56.02 1aqy s LYS 214 Cb 0.05 -3.57 -0.16 0.00 -0.52 0.00 0.00 37.83 33.63 1aqy s LYS 214 CO 0.15 -0.03 2.95 -0.35 -0.92 0.00 0.00 175.35 177.16 1aqy n PRO 215 N 4.55 2.44 -1.25 -1.68 -0.04 -1.26 -4.98 135.00 132.78 1aqy n PRO 215 Ca -0.14 -1.40 -0.35 0.00 -0.04 0.00 0.00 63.50 61.57 1aqy n PRO 215 Cb 0.52 -2.30 0.10 0.00 -0.04 0.00 0.00 33.50 31.77 1aqy n PRO 215 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1aqy n SER 216 N 3.16 0.18 0.18 3.54 3.41 -1.26 -4.80 113.62 118.02 1aqy n SER 216 Ca 0.52 0.62 0.02 0.00 -0.26 0.00 0.00 58.87 59.77 1aqy n SER 216 Cb 0.50 -1.39 0.37 0.00 -0.26 0.00 0.00 64.21 63.44 1aqy n SER 216 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aqy h ALA 217 N -0.49 1.42 -0.35 7.33 0.00 -2.00 -2.54 119.26 122.63 1aqy h ALA 217 Ca -0.47 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.02 1aqy h ALA 217 Cb 1.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1aqy h ALA 217 CO 0.45 0.43 -0.24 1.49 0.00 0.00 0.00 179.25 181.38 1aqy h GLU 218 N 0.04 0.78 0.21 0.00 4.81 -2.00 -2.78 114.58 115.64 1aqy h GLU 218 Ca 0.00 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 1aqy h GLU 218 Cb 0.59 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1aqy h GLU 218 CO 0.04 1.00 -0.10 1.25 -0.73 0.00 0.00 179.01 180.47 1aqy h LEU 219 N 0.56 -0.24 -1.88 1.64 5.85 -1.89 -2.54 115.31 116.82 1aqy h LEU 219 Ca 0.07 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.73 1aqy h LEU 219 Cb 0.80 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1aqy h LEU 219 CO 0.07 0.04 0.33 0.58 -0.34 0.00 0.00 178.44 179.12 1aqy h VAL 220 N -0.52 0.83 -0.03 1.05 2.07 -1.52 -2.18 116.25 115.94 1aqy h VAL 220 Ca -0.03 -0.05 -0.24 0.00 0.82 0.00 0.00 66.70 67.21 1aqy h VAL 220 Cb 0.39 0.68 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1aqy h VAL 220 CO 0.05 0.02 -0.93 0.44 0.02 0.00 0.00 177.57 177.17 1aqy h ASP 221 N 0.14 0.74 -0.54 0.57 5.19 -1.36 -2.63 116.42 118.53 1aqy h ASP 221 Ca 0.22 -0.56 -0.07 0.00 -0.62 0.00 0.00 57.03 56.00 1aqy h ASP 221 Cb 0.70 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 1aqy h ASP 221 CO -0.03 1.35 0.06 0.03 -3.12 0.00 0.00 179.24 177.53 1aqy h ARG 222 N 0.35 0.91 -0.15 3.56 3.08 -0.97 -2.77 114.38 118.38 1aqy h ARG 222 Ca -0.09 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 1aqy h ARG 222 Cb 1.56 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.51 1aqy h ARG 222 CO 0.17 0.89 0.06 0.82 -1.07 0.00 0.00 179.97 180.85 1aqy h ILE 223 N 0.79 1.15 -0.73 2.04 2.04 -1.48 -1.95 117.51 119.36 1aqy h ILE 223 Ca 0.16 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.63 1aqy h ILE 223 Cb 0.45 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 1aqy h ILE 223 CO 0.02 0.14 0.44 0.40 0.00 0.00 0.00 178.15 179.15 1aqy h ILE 224 N 0.09 1.05 -0.21 -0.67 2.04 -1.44 -1.79 117.51 116.59 1aqy h ILE 224 Ca 0.05 -0.29 -0.15 0.00 1.00 0.00 0.00 64.86 65.47 1aqy h ILE 224 Cb 0.16 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1aqy h ILE 224 CO -0.00 0.15 -0.48 -0.61 0.00 0.00 0.00 178.15 177.21 1aqy h GLN 225 N 0.84 0.55 0.00 2.37 -0.00 -1.40 -3.27 115.11 114.20 1aqy h GLN 225 Ca 0.31 -0.31 -0.13 0.00 -0.00 0.00 0.00 58.65 58.52 1aqy h GLN 225 Cb 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.58 1aqy h GLN 225 CO -0.14 0.91 -0.62 1.25 0.00 0.00 0.00 178.83 180.23 1aqy h HIS 226 N 0.43 0.00 -0.51 3.99 2.76 -1.05 -3.34 115.15 117.43 1aqy h HIS 226 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1aqy h HIS 226 Cb 1.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.96 1aqy h HIS 226 CO 0.04 0.62 0.00 0.25 -1.30 0.00 0.00 177.93 177.54 1aqy n THR 227 N -3.44 2.23 -1.33 6.26 -2.24 -0.70 -4.40 114.28 110.66 1aqy n THR 227 Ca 0.00 -1.42 -0.31 0.00 -2.27 0.00 0.00 64.05 60.05 1aqy n THR 227 Cb 0.71 -0.08 0.09 0.00 -2.10 0.00 0.00 70.33 68.94 1aqy n THR 227 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1aqy s SER 228 N -1.11 4.50 0.28 3.42 1.04 -1.24 -4.82 113.70 115.77 1aqy s SER 228 Ca 0.49 1.69 -0.03 0.00 0.48 0.00 0.00 55.95 58.58 1aqy s SER 228 Cb 0.35 -2.42 0.39 0.00 0.10 0.00 0.00 66.02 64.43 1aqy s SER 228 CO 0.17 -2.02 1.90 0.15 0.98 0.00 0.00 173.24 174.43 1aqy h PHE 229 N -1.12 1.03 -0.57 5.02 3.57 -1.95 -1.94 116.94 120.98 1aqy h PHE 229 Ca -0.45 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 60.94 1aqy h PHE 229 Cb 1.24 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1aqy h PHE 229 CO 0.55 0.71 -0.01 0.37 -2.23 0.00 0.00 178.31 177.71 1aqy h GLN 230 N 1.05 1.00 0.65 1.11 4.15 -1.98 -2.10 115.11 119.01 1aqy h GLN 230 Ca 0.27 -0.31 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 1aqy h GLN 230 Cb 0.03 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 27.63 1aqy h GLN 230 CO -0.04 0.99 -0.31 0.93 -1.93 0.00 0.00 178.83 178.46 1aqy h GLU 231 N 0.92 -0.85 -0.22 1.69 4.39 -1.81 -3.22 114.58 115.48 1aqy h GLU 231 Ca 0.16 0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.99 1aqy h GLU 231 Cb 0.55 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1aqy h GLU 231 CO 0.03 -0.54 0.19 0.52 -1.16 0.00 0.00 179.01 178.04 1aqy h MET 232 N -1.19 0.00 0.00 2.33 2.86 -1.41 -0.19 114.93 117.33 1aqy h MET 232 Ca -0.09 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 1aqy h MET 232 Cb 0.69 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1aqy h MET 232 CO 0.15 0.00 -0.33 -0.22 1.06 0.00 0.00 176.91 177.57 1aqy h LYS 233 N 0.00 0.00 -0.03 1.72 3.64 -1.41 -2.92 116.57 117.57 1aqy h LYS 233 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1aqy h LYS 233 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1aqy h LYS 233 CO -0.00 0.33 -0.10 0.09 -2.27 0.00 0.00 179.45 177.49 1aqy n ASN 234 N -3.66 2.72 -4.53 4.20 5.03 -0.13 -4.85 115.26 114.04 1aqy n ASN 234 Ca -0.01 -1.87 -0.43 0.00 0.87 0.00 0.00 54.58 53.15 1aqy n ASN 234 Cb 0.44 0.10 -0.07 0.00 -1.02 0.00 0.00 39.78 39.23 1aqy n ASN 234 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1aqy s ASN 235 N -2.11 6.33 0.65 6.41 3.04 -0.87 -4.93 114.94 123.46 1aqy s ASN 235 Ca 0.26 -0.27 0.40 0.00 0.04 0.00 0.00 52.86 53.29 1aqy s ASN 235 Cb 0.20 -2.32 2.24 0.00 -1.54 0.00 0.00 41.25 39.83 1aqy s ASN 235 CO 0.36 -0.75 2.32 1.55 -3.04 0.00 0.00 177.10 177.54 1aqy h PRO 236 N 8.81 0.00 0.00 0.43 0.13 -1.89 -0.76 132.00 138.73 1aqy h PRO 236 Ca -0.26 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.73 1aqy h PRO 236 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1aqy h PRO 236 CO 0.88 0.00 -0.67 1.03 -0.23 0.00 0.00 178.00 179.01 1aqy h SER 237 N 0.00 0.00 0.00 1.44 0.87 -1.91 -3.37 113.55 110.58 1aqy h SER 237 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1aqy h SER 237 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1aqy h SER 237 CO -0.00 0.67 -0.66 0.35 -0.53 0.00 0.00 176.83 176.66 1aqy n THR 238 N -3.55 0.00 1.10 2.23 -2.24 -0.68 -1.97 114.28 109.17 1aqy n THR 238 Ca -0.00 -0.28 0.08 0.00 -2.27 0.00 0.00 64.05 61.58 1aqy n THR 238 Cb 0.71 0.80 0.26 0.00 -2.10 0.00 0.00 70.33 70.00 1aqy n THR 238 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1aqy n ASN 239 N -1.36 1.68 -1.64 3.42 2.04 -0.38 -4.95 115.26 114.08 1aqy n ASN 239 Ca 0.01 -1.85 -0.17 0.00 -0.44 0.00 0.00 54.58 52.12 1aqy n ASN 239 Cb 0.15 -0.16 -0.04 0.00 -2.53 0.00 0.00 39.78 37.19 1aqy n ASN 239 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 1aqy n TYR 240 N 0.37 -0.39 1.30 -2.53 4.02 -1.26 -4.67 117.16 114.01 1aqy n TYR 240 Ca 0.14 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.16 1aqy n TYR 240 Cb 0.30 -3.21 0.57 0.00 -0.02 0.00 0.00 39.34 36.97 1aqy n TYR 240 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1aqy n THR 241 N -3.22 0.00 1.26 -0.72 -2.24 -1.26 -3.06 114.28 105.03 1aqy n THR 241 Ca -0.19 -0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.62 1aqy n THR 241 Cb 0.61 -0.10 0.28 0.00 -2.10 0.00 0.00 70.33 69.02 1aqy n THR 241 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1aqy n MET 242 N -1.08 1.61 -4.32 -0.78 2.81 -1.26 -4.74 117.12 109.35 1aqy n MET 242 Ca 0.12 -0.93 -0.34 0.00 -1.81 0.00 0.00 57.70 54.75 1aqy n MET 242 Cb 0.29 -1.30 -0.15 0.00 -0.71 0.00 0.00 33.22 31.36 1aqy n MET 242 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1aqy s MET 243 N -1.74 3.25 0.14 0.03 0.00 -1.17 -5.10 119.30 114.71 1aqy s MET 243 Ca 0.25 -0.72 -0.32 0.00 0.00 0.00 0.00 55.69 54.90 1aqy s MET 243 Cb 0.13 -2.72 -0.18 0.00 0.00 0.00 0.00 34.83 32.07 1aqy s MET 243 CO 0.19 -0.05 0.77 -2.30 0.00 0.00 0.00 175.02 173.63 1aqy n PRO 244 N 4.28 0.17 0.21 4.11 -0.02 -1.26 -4.75 135.00 137.75 1aqy n PRO 244 Ca -0.19 0.06 0.15 0.00 -2.02 0.00 0.00 63.50 61.50 1aqy n PRO 244 Cb 0.51 -1.28 0.63 0.00 -0.02 0.00 0.00 33.50 33.34 1aqy n PRO 244 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1aqy h GLU 245 N 1.88 0.00 0.00 -0.52 4.81 -1.95 -1.34 114.58 117.47 1aqy h GLU 245 Ca -0.37 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.83 1aqy h GLU 245 Cb 1.42 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.80 1aqy h GLU 245 CO 0.61 0.00 -0.17 0.93 -0.73 0.00 0.00 179.01 179.65 1aqy h GLU 246 N 0.00 0.00 0.00 1.92 3.07 -2.01 -3.28 114.58 114.28 1aqy h GLU 246 Ca 0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.49 1aqy h GLU 246 Cb 0.40 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.25 1aqy h GLU 246 CO 0.00 0.17 -2.29 -1.33 -1.40 0.00 0.00 179.01 174.16 1aqy n MET 247 N -3.50 0.51 -3.96 2.33 2.81 -0.84 -4.75 117.12 109.73 1aqy n MET 247 Ca -0.01 0.19 -0.31 0.00 -1.81 0.00 0.00 57.70 55.76 1aqy n MET 247 Cb 0.33 -1.36 -0.15 0.00 -0.71 0.00 0.00 33.22 31.33 1aqy n MET 247 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1aqy s MET 248 N -2.43 1.41 -0.78 0.03 -2.45 -0.56 -2.29 119.30 112.24 1aqy s MET 248 Ca -0.32 -1.57 -0.19 0.00 -1.25 0.00 0.00 55.69 52.37 1aqy s MET 248 Cb 0.11 -2.86 0.12 0.00 1.25 0.00 0.00 34.83 33.45 1aqy s MET 248 CO 0.44 -0.88 0.94 1.21 1.05 0.00 0.00 175.02 177.78 1aqy s ASN 249 N 1.12 6.44 0.00 1.11 3.84 -0.89 -4.07 114.94 122.49 1aqy s ASN 249 Ca 0.07 -1.76 0.23 0.00 0.21 0.00 0.00 52.86 51.61 1aqy s ASN 249 Cb -0.19 -2.35 1.36 0.00 -0.55 0.00 0.00 41.25 39.52 1aqy s ASN 249 CO -0.11 -1.09 1.75 0.00 -2.79 0.00 0.00 177.10 174.86 1aqy n GLN 250 N 6.38 0.69 0.11 0.43 6.02 -1.26 -2.05 117.38 127.70 1aqy n GLN 250 Ca 0.08 0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 57.06 1aqy n GLN 250 Cb 0.46 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.24 1aqy n GLN 250 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1aqy h LYS 251 N 0.00 0.00 -0.03 -1.09 1.57 -1.98 -3.17 116.57 111.88 1aqy h LYS 251 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1aqy h LYS 251 Cb 0.02 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.34 1aqy h LYS 251 CO 0.00 0.74 -0.69 0.28 -0.57 0.00 0.00 179.45 179.21 1aqy h VAL 252 N 0.00 1.37 -1.74 0.50 2.07 -1.80 -3.46 116.25 113.19 1aqy h VAL 252 Ca -0.01 -2.07 0.07 0.00 0.82 0.00 0.00 66.70 65.52 1aqy h VAL 252 Cb 1.47 2.45 -0.23 0.00 -1.52 0.00 0.00 31.29 33.45 1aqy h VAL 252 CO 0.10 0.62 0.16 -0.55 0.02 0.00 0.00 177.57 177.91 1aqy s SER 253 N -6.88 -0.77 0.51 0.57 0.15 -1.20 -4.99 113.70 101.09 1aqy s SER 253 Ca -0.12 1.19 -0.20 0.00 0.70 0.00 0.00 55.95 57.52 1aqy s SER 253 Cb 0.05 1.43 -0.08 0.00 -1.71 0.00 0.00 66.02 65.72 1aqy s SER 253 CO 0.85 -0.18 1.07 -2.16 1.20 0.00 0.00 173.24 174.01 1aqy s PRO 254 N 1.72 3.66 0.06 5.44 0.04 -1.20 -4.23 135.00 140.48 1aqy s PRO 254 Ca -0.09 1.43 -0.21 0.00 0.04 0.00 0.00 61.00 62.17 1aqy s PRO 254 Cb -0.05 -2.07 -0.13 0.00 0.04 0.00 0.00 34.50 32.30 1aqy s PRO 254 CO -0.18 -0.56 1.50 0.35 0.04 0.00 0.00 177.00 178.15 1aqy h PHE 255 N 1.43 0.26 -2.32 0.56 3.57 -1.90 -3.28 116.94 115.26 1aqy h PHE 255 Ca -0.50 -0.04 -0.71 0.00 3.53 0.00 0.00 57.97 60.25 1aqy h PHE 255 Cb 1.23 -0.07 -0.18 0.00 2.79 0.00 0.00 35.95 39.73 1aqy h PHE 255 CO 0.55 0.45 1.03 -1.64 -2.23 0.00 0.00 178.31 176.47 1aqy s MET 256 N -5.04 3.79 0.00 1.11 -1.94 -1.26 -4.88 119.30 111.08 1aqy s MET 256 Ca -0.14 -2.09 0.00 0.00 -1.71 0.00 0.00 55.69 51.75 1aqy s MET 256 Cb 0.06 -4.97 0.00 0.00 2.01 0.00 0.00 34.83 31.92 1aqy s MET 256 CO 0.71 -1.77 0.11 -2.13 -0.01 0.00 0.00 175.02 171.93 1aqy n ARG 257 N 6.17 0.00 0.00 2.03 0.63 -1.24 -4.95 116.66 119.31 1aqy n ARG 257 Ca 0.29 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 1aqy n ARG 257 Cb 0.47 -0.78 0.00 0.00 0.45 0.00 0.00 32.46 32.59 1aqy n ARG 257 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1aqy n LYS 258 N -1.12 0.00 -2.78 -0.14 5.02 -1.26 -5.05 118.16 112.83 1aqy n LYS 258 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1aqy n LYS 258 Cb 0.00 -0.67 0.03 0.00 -0.02 0.00 0.00 35.03 34.36 1aqy n LYS 258 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aqy n GLY 259 N 2.93 0.03 3.65 0.72 0.00 -1.26 -5.04 105.19 106.22 1aqy n GLY 259 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1aqy n GLY 259 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1aqy s ILE 260 N -2.96 1.22 -0.13 -0.61 -4.36 -1.26 -5.06 121.20 108.03 1aqy s ILE 260 Ca 0.21 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.55 1aqy s ILE 260 Cb -0.09 -2.44 -0.04 0.00 1.25 0.00 0.00 42.46 41.15 1aqy s ILE 260 CO 0.26 0.00 0.03 -0.63 0.24 0.00 0.00 174.94 174.83 1aqy s ILE 261 N -2.95 4.51 0.00 8.37 1.01 -1.26 -4.65 121.20 126.23 1aqy s ILE 261 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1aqy s ILE 261 Cb 0.04 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.55 1aqy s ILE 261 CO 0.10 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.19 1aqy n GLY 262 N 2.83 0.87 0.07 6.18 0.00 -1.26 -4.97 105.19 108.91 1aqy n GLY 262 Ca -0.18 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.87 1aqy n GLY 262 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1aqy n ASP 263 N 0.09 0.29 0.29 1.61 2.03 -1.26 -2.29 116.55 117.31 1aqy n ASP 263 Ca 0.00 0.59 0.15 0.00 0.52 0.00 0.00 54.79 56.05 1aqy n ASP 263 Cb 0.00 -0.65 0.88 0.00 -0.72 0.00 0.00 41.12 40.63 1aqy n ASP 263 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1aqy h TRP 264 N 0.00 0.00 0.00 -0.67 5.08 -1.93 -1.87 115.95 116.56 1aqy h TRP 264 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1aqy h TRP 264 Cb 0.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.35 1aqy h TRP 264 CO 0.00 0.02 0.00 0.87 -1.28 0.00 0.00 178.44 178.05 1aqy h LYS 265 N 0.00 0.00 -0.22 0.12 1.57 -1.82 -1.59 116.57 114.63 1aqy h LYS 265 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1aqy h LYS 265 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1aqy h LYS 265 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 1aqy n ASN 266 N -2.90 3.08 0.00 0.86 3.02 -0.70 -4.65 115.26 113.97 1aqy n ASN 266 Ca -0.00 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 1aqy n ASN 266 Cb 0.21 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1aqy n ASN 266 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1aqy n HIS 267 N 1.30 0.00 -2.77 3.10 8.25 -0.87 -5.06 115.22 119.18 1aqy n HIS 267 Ca 0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.21 1aqy n HIS 267 Cb 0.58 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.65 1aqy n HIS 267 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1aqy s PHE 268 N -1.53 3.16 0.78 4.41 0.40 -0.65 -4.97 117.98 119.58 1aqy s PHE 268 Ca 0.00 1.00 -0.10 0.00 -0.60 0.00 0.00 56.93 57.22 1aqy s PHE 268 Cb 0.00 -3.52 0.06 0.00 0.51 0.00 0.00 43.02 40.07 1aqy s PHE 268 CO 0.00 -0.71 1.09 -2.14 0.70 0.00 0.00 175.22 174.16 1aqy s PRO 269 N 3.39 2.21 0.19 0.24 0.02 -1.26 -4.79 135.00 135.00 1aqy s PRO 269 Ca 0.40 1.18 -0.19 0.00 0.02 0.00 0.00 61.00 62.40 1aqy s PRO 269 Cb -0.13 -1.89 0.14 0.00 0.02 0.00 0.00 34.50 32.64 1aqy s PRO 269 CO 0.15 -1.68 1.60 0.93 -0.33 0.00 0.00 177.00 177.67 1aqy h GLU 270 N -1.15 -0.14 -0.92 5.54 5.08 -2.00 -2.14 114.58 118.84 1aqy h GLU 270 Ca -0.44 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1aqy h GLU 270 Cb 1.23 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1aqy h GLU 270 CO 0.51 -0.09 0.56 0.00 -1.00 0.00 0.00 179.01 178.99 1aqy h ALA 271 N 1.12 1.18 -0.40 3.43 0.00 -2.01 -2.95 119.26 119.61 1aqy h ALA 271 Ca 0.23 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1aqy h ALA 271 Cb 0.52 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1aqy h ALA 271 CO -0.62 0.63 -0.31 1.25 0.00 0.00 0.00 179.25 180.20 1aqy h LEU 272 N 1.27 0.95 -0.77 0.00 5.85 -1.82 -3.07 115.31 117.71 1aqy h LEU 272 Ca 0.33 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1aqy h LEU 272 Cb -0.06 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 1aqy h LEU 272 CO -0.06 1.17 0.50 -0.09 -0.34 0.00 0.00 178.44 179.63 1aqy h ARG 273 N 0.76 0.99 -0.65 1.25 2.43 -1.24 -1.27 114.38 116.64 1aqy h ARG 273 Ca 0.08 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1aqy h ARG 273 Cb 0.88 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 1aqy h ARG 273 CO 0.08 0.65 0.15 1.49 -1.51 0.00 0.00 179.97 180.84 1aqy h GLU 274 N 1.01 1.03 -0.35 0.20 4.81 -1.50 -1.20 114.58 118.58 1aqy h GLU 274 Ca 0.29 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 1aqy h GLU 274 Cb -0.07 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1aqy h GLU 274 CO -0.08 0.92 -0.15 0.00 -0.73 0.00 0.00 179.01 178.97 1aqy h ARG 275 N 0.98 0.73 0.20 1.92 3.08 -1.39 -2.32 114.38 117.58 1aqy h ARG 275 Ca 0.21 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1aqy h ARG 275 Cb 0.35 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1aqy h ARG 275 CO 0.00 0.91 -0.10 0.35 -1.07 0.00 0.00 179.97 180.07 1aqy h PHE 276 N 0.51 -0.25 -0.44 3.04 3.57 -1.05 -1.75 116.94 120.56 1aqy h PHE 276 Ca 0.08 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1aqy h PHE 276 Cb 0.69 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1aqy h PHE 276 CO 0.06 -0.09 0.25 -0.44 -2.23 0.00 0.00 178.31 175.86 1aqy h ASP 277 N -0.36 0.53 -0.28 0.41 3.32 -1.26 0.54 116.42 119.32 1aqy h ASP 277 Ca -0.03 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1aqy h ASP 277 Cb 0.28 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1aqy h ASP 277 CO 0.05 0.42 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.58 1aqy h GLU 278 N 0.61 0.54 -0.73 3.56 4.39 -1.27 -2.21 114.58 119.47 1aqy h GLU 278 Ca 0.16 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1aqy h GLU 278 Cb 0.00 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1aqy h GLU 278 CO -0.03 0.75 0.35 1.25 -1.16 0.00 0.00 179.01 180.17 1aqy h HIS 279 N 0.30 1.05 -0.22 4.33 2.76 -0.72 -2.91 115.15 119.73 1aqy h HIS 279 Ca 0.07 -0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.21 1aqy h HIS 279 Cb 0.55 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 1aqy h HIS 279 CO 0.05 0.77 0.08 -0.92 -1.30 0.00 0.00 177.93 176.62 1aqy h TYR 280 N 1.02 0.15 -0.99 5.26 5.03 -0.78 -2.33 116.97 124.33 1aqy h TYR 280 Ca 0.25 0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.67 1aqy h TYR 280 Cb 0.12 -0.04 -0.08 0.00 1.55 0.00 0.00 36.73 38.29 1aqy h TYR 280 CO 0.01 0.08 0.63 -0.22 -1.32 0.00 0.00 178.16 177.34 1aqy h LYS 281 N 0.19 1.02 -0.04 1.82 3.64 -1.21 -0.05 116.57 121.95 1aqy h LYS 281 Ca 0.09 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 1aqy h LYS 281 Cb 0.05 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1aqy h LYS 281 CO -0.09 0.68 -0.57 1.96 -2.27 0.00 0.00 179.45 179.16 1aqy h GLN 282 N 1.06 0.11 0.19 1.90 1.08 -1.37 -1.57 115.11 116.51 1aqy h GLN 282 Ca 0.46 -0.07 -0.31 0.00 -1.45 0.00 0.00 58.65 57.28 1aqy h GLN 282 Cb 0.35 0.01 0.02 0.00 -0.05 0.00 0.00 27.48 27.81 1aqy h GLN 282 CO -0.22 0.65 -1.36 1.96 -0.95 0.00 0.00 178.83 178.91 1aqy h GLN 283 N 0.08 0.43 -0.56 1.46 1.08 -0.79 -3.36 115.11 113.45 1aqy h GLN 283 Ca -0.00 -0.72 0.00 0.00 -1.45 0.00 0.00 58.65 56.48 1aqy h GLN 283 Cb 1.03 0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1aqy h GLN 283 CO 0.08 1.34 0.00 -1.33 -0.95 0.00 0.00 178.83 177.97 1aqy n MET 284 N -3.64 3.06 -0.40 1.46 2.81 -0.12 -4.78 117.12 115.51 1aqy n MET 284 Ca -0.13 -2.56 -0.09 0.00 -1.81 0.00 0.00 57.70 53.11 1aqy n MET 284 Cb 1.06 -1.59 -0.08 0.00 -0.71 0.00 0.00 33.22 31.91 1aqy n MET 284 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1aqy n LYS 285 N 1.02 -0.40 -0.94 0.03 4.81 -0.59 -1.93 118.16 120.16 1aqy n LYS 285 Ca 0.21 1.48 -0.10 0.00 -0.87 0.00 0.00 58.31 59.02 1aqy n LYS 285 Cb 0.66 -2.18 0.23 0.00 0.02 0.00 0.00 35.03 33.76 1aqy n LYS 285 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1aqy n ASP 286 N -5.25 4.18 -4.61 3.14 9.92 -1.26 -4.92 116.55 117.75 1aqy n ASP 286 Ca 0.03 -3.15 -0.36 0.00 -0.53 0.00 0.00 54.79 50.78 1aqy n ASP 286 Cb 0.27 -0.74 -0.10 0.00 -0.64 0.00 0.00 41.12 39.91 1aqy n ASP 286 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aqy n THR 288 N 4.32 0.01 -1.61 0.00 -2.24 -1.26 -4.94 114.28 108.55 1aqy n THR 288 Ca -0.15 -0.03 -0.45 0.00 -2.27 0.00 0.00 64.05 61.15 1aqy n THR 288 Cb 0.52 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.42 1aqy n THR 288 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1aqy n VAL 289 N -0.78 1.63 -3.49 2.28 0.31 -1.26 -4.95 118.33 112.08 1aqy n VAL 289 Ca 0.18 -0.41 -0.43 0.00 -0.01 0.00 0.00 64.34 63.68 1aqy n VAL 289 Cb 0.10 -1.11 -0.05 0.00 -0.91 0.00 0.00 33.84 31.87 1aqy n VAL 289 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1aqy s LYS 290 N -1.20 3.16 0.60 5.55 2.20 -1.26 -5.07 119.74 123.72 1aqy s LYS 290 Ca 0.62 -2.47 -0.15 0.00 -0.36 0.00 0.00 55.97 53.62 1aqy s LYS 290 Cb -0.70 -4.14 -0.03 0.00 -1.51 0.00 0.00 37.83 31.44 1aqy s LYS 290 CO 0.57 -1.24 1.04 -0.06 -0.36 0.00 0.00 175.35 175.30 1aqy s PHE 291 N 0.11 3.12 0.18 4.03 0.08 -1.26 -5.01 117.98 119.23 1aqy s PHE 291 Ca 0.17 1.47 -0.30 0.00 0.12 0.00 0.00 56.93 58.40 1aqy s PHE 291 Cb -0.15 -2.93 -0.08 0.00 -0.57 0.00 0.00 43.02 39.30 1aqy s PHE 291 CO -0.06 -0.99 1.01 0.50 -0.10 0.00 0.00 175.22 175.58 1aqy s ARG 292 N -4.32 4.71 0.14 0.44 3.52 -1.26 -5.00 118.95 117.17 1aqy s ARG 292 Ca 0.61 1.57 -0.31 0.00 -0.13 0.00 0.00 55.73 57.47 1aqy s ARG 292 Cb -0.14 -3.30 -0.09 0.00 -1.56 0.00 0.00 34.95 29.85 1aqy s ARG 292 CO 0.40 0.25 1.51 1.41 -0.81 0.00 0.00 175.30 178.07 1aqy s MET 293 N -0.56 4.25 0.00 5.12 -2.45 -1.26 -5.12 119.30 119.29 1aqy s MET 293 Ca 0.46 2.26 0.00 0.00 -1.25 0.00 0.00 55.69 57.16 1aqy s MET 293 Cb -0.27 -3.21 0.00 0.00 1.25 0.00 0.00 34.83 32.61 1aqy s MET 293 CO 0.33 -0.55 0.00 0.39 1.05 0.00 0.00 175.02 176.24