#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qxl s PRO 5 N 0.00 4.72 0.30 -2.82 0.02 -1.26 -5.04 135.00 130.92 1qxl s PRO 5 Ca 0.00 1.66 0.12 0.00 0.02 0.00 0.00 61.00 62.80 1qxl s PRO 5 Cb 0.00 -3.24 0.46 0.00 0.02 0.00 0.00 34.50 31.74 1qxl s PRO 5 CO 0.00 0.31 1.66 0.00 -0.33 0.00 0.00 177.00 178.64 1qxl h ALA 6 N 4.17 1.02 -2.53 -1.55 0.00 -1.88 -3.41 119.26 115.08 1qxl h ALA 6 Ca -0.46 -0.49 -0.57 0.00 0.00 0.00 0.00 54.91 53.39 1qxl h ALA 6 Cb 1.21 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 18.52 1qxl h ALA 6 CO 0.68 0.68 -0.86 0.12 0.00 0.00 0.00 179.25 179.87 1qxl s PHE 7 N -3.67 0.71 -0.79 0.00 5.36 -1.26 -4.98 117.98 113.35 1qxl s PHE 7 Ca -0.01 -1.67 -0.17 0.00 -0.96 0.00 0.00 56.93 54.11 1qxl s PHE 7 Cb 0.12 -0.89 0.15 0.00 -0.34 0.00 0.00 43.02 42.07 1qxl s PHE 7 CO 0.74 -0.83 0.89 0.16 -1.46 0.00 0.00 175.22 174.72 1qxl s ASP 8 N 0.97 6.52 -0.11 6.13 1.47 -1.26 -4.86 116.67 125.53 1qxl s ASP 8 Ca 0.20 -2.03 -0.30 0.00 1.18 0.00 0.00 52.55 51.60 1qxl s ASP 8 Cb -0.20 -2.31 0.10 0.00 -0.34 0.00 0.00 42.92 40.17 1qxl s ASP 8 CO -0.02 -0.94 0.85 -0.54 0.68 0.00 0.00 175.17 175.20 1qxl s LYS 9 N 1.96 0.81 0.82 2.11 -0.14 -1.26 -5.15 119.74 118.89 1qxl s LYS 9 Ca 0.22 0.22 -0.12 0.00 -1.36 0.00 0.00 55.97 54.93 1qxl s LYS 9 Cb -0.13 0.38 0.09 0.00 -1.68 0.00 0.00 37.83 36.50 1qxl s LYS 9 CO -0.04 -0.25 1.15 -2.14 -0.76 0.00 0.00 175.35 173.31 1qxl s PRO 10 N -1.09 1.70 0.05 -1.68 0.02 -1.26 -4.90 135.00 127.83 1qxl s PRO 10 Ca -0.06 1.50 -0.02 0.00 0.02 0.00 0.00 61.00 62.44 1qxl s PRO 10 Cb -0.00 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.68 1qxl s PRO 10 CO 0.05 -2.12 0.01 0.15 -0.33 0.00 0.00 177.00 174.77 1qxl s LYS 11 N -4.50 0.62 -0.09 5.54 1.02 -0.55 -4.93 119.74 116.84 1qxl s LYS 11 Ca 0.67 -1.11 0.01 0.00 0.02 0.00 0.00 55.97 55.57 1qxl s LYS 11 Cb -0.23 0.22 -0.02 0.00 -0.52 0.00 0.00 37.83 37.28 1qxl s LYS 11 CO 0.53 -0.13 -0.12 0.08 -0.92 0.00 0.00 175.35 174.79 1qxl s VAL 12 N -3.65 3.19 -0.06 3.17 1.01 -1.26 -0.12 120.40 122.68 1qxl s VAL 12 Ca 0.04 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1qxl s VAL 12 Cb 0.06 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1qxl s VAL 12 CO -0.09 0.56 -0.11 -0.70 0.00 0.00 0.00 175.10 174.76 1qxl s GLU 13 N -0.19 1.55 -0.00 2.72 2.12 -1.07 -4.73 118.70 119.10 1qxl s GLU 13 Ca 0.01 -0.36 0.09 0.00 0.36 0.00 0.00 54.97 55.07 1qxl s GLU 13 Cb -0.13 -1.31 -0.10 0.00 0.26 0.00 0.00 34.13 32.84 1qxl s GLU 13 CO 0.03 0.00 0.39 1.28 -0.54 0.00 0.00 175.26 176.42 1qxl n LEU 14 N 3.87 0.43 -3.54 2.70 4.77 -1.26 -0.96 117.00 123.01 1qxl n LEU 14 Ca -0.23 -0.50 -0.29 0.00 -0.03 0.00 0.00 56.01 54.96 1qxl n LEU 14 Cb 0.52 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.47 1qxl n LEU 14 CO 0.25 0.11 -0.32 -2.28 -1.33 0.00 0.00 177.39 173.82 1qxl s HIS 15 N -1.86 0.75 -0.23 -1.77 2.46 -1.26 -4.61 115.29 108.77 1qxl s HIS 15 Ca 0.03 -1.40 -0.12 0.00 0.47 0.00 0.00 55.06 54.04 1qxl s HIS 15 Cb 0.07 -1.05 0.07 0.00 -0.13 0.00 0.00 32.58 31.54 1qxl s HIS 15 CO 0.37 -0.83 0.55 0.08 -2.47 0.00 0.00 174.74 172.44 1qxl s VAL 16 N 1.47 -0.08 -0.21 0.89 1.01 -1.26 -1.62 120.40 120.60 1qxl s VAL 16 Ca 0.14 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 1qxl s VAL 16 Cb -0.20 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1qxl s VAL 16 CO -0.16 0.02 0.70 -1.00 0.00 0.00 0.00 175.10 174.66 1qxl s HIS 17 N 1.63 3.36 0.27 5.22 3.76 0.61 -1.78 115.29 128.35 1qxl s HIS 17 Ca -0.09 1.00 -0.00 0.00 -0.15 0.00 0.00 55.06 55.82 1qxl s HIS 17 Cb -0.07 -2.88 0.59 0.00 1.11 0.00 0.00 32.58 31.33 1qxl s HIS 17 CO -0.16 -0.24 1.71 1.25 -0.85 0.00 0.00 174.74 176.44 1qxl h LEU 18 N 8.48 0.29 -0.05 0.89 5.85 -1.45 -1.24 115.31 128.08 1qxl h LEU 18 Ca -0.29 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1qxl h LEU 18 Cb 1.13 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1qxl h LEU 18 CO 0.80 0.05 0.00 -0.90 -0.34 0.00 0.00 178.44 178.05 1qxl n ASP 19 N -5.03 0.08 -0.47 1.25 3.85 -1.26 -1.55 116.55 113.41 1qxl n ASP 19 Ca 0.18 -1.27 0.07 0.00 -0.71 0.00 0.00 54.79 53.06 1qxl n ASP 19 Cb 0.53 -0.00 0.15 0.00 -1.35 0.00 0.00 41.12 40.45 1qxl n ASP 19 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1qxl n GLY 20 N 0.89 4.28 2.24 6.12 0.00 -0.49 -4.82 105.19 113.41 1qxl n GLY 20 Ca 0.18 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 1qxl n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qxl n ALA 21 N -1.00 2.40 -2.62 4.61 0.00 -0.60 -0.46 120.51 122.84 1qxl n ALA 21 Ca 0.15 -3.52 -0.30 0.00 0.00 0.00 0.00 53.44 49.77 1qxl n ALA 21 Cb 0.71 -0.87 -0.16 0.00 0.00 0.00 0.00 19.45 19.14 1qxl n ALA 21 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1qxl s ILE 22 N -2.00 1.89 0.21 0.00 1.01 -1.26 -4.69 121.20 116.37 1qxl s ILE 22 Ca 0.38 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 1qxl s ILE 22 Cb 0.26 -1.59 -0.08 0.00 0.01 0.00 0.00 42.46 41.06 1qxl s ILE 22 CO -0.09 0.53 1.10 -0.54 0.00 0.00 0.00 174.94 175.94 1qxl s LYS 23 N -0.29 4.61 0.19 2.79 -0.14 -1.26 -4.71 119.74 120.93 1qxl s LYS 23 Ca 0.01 1.75 -0.20 0.00 -1.36 0.00 0.00 55.97 56.17 1qxl s LYS 23 Cb -0.12 -3.25 0.13 0.00 -1.68 0.00 0.00 37.83 32.91 1qxl s LYS 23 CO 0.02 0.12 1.59 -1.35 -0.76 0.00 0.00 175.35 174.97 1qxl h PRO 24 N 4.68 -0.15 -1.09 -1.68 0.11 -1.98 -0.33 132.00 131.56 1qxl h PRO 24 Ca -0.45 0.01 0.32 0.00 0.11 0.00 0.00 66.00 65.99 1qxl h PRO 24 Cb 1.21 0.04 -0.12 0.00 0.11 0.00 0.00 31.00 32.23 1qxl h PRO 24 CO 0.71 -0.10 0.67 0.93 -0.21 0.00 0.00 178.00 179.99 1qxl h GLU 25 N -0.16 0.31 -0.00 1.05 3.07 -1.91 -1.07 114.58 115.87 1qxl h GLU 25 Ca 0.23 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 1qxl h GLU 25 Cb 0.54 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1qxl h GLU 25 CO -0.65 0.21 -0.39 0.25 -1.40 0.00 0.00 179.01 177.02 1qxl n THR 26 N -4.82 0.00 0.03 1.13 -2.24 -0.17 -1.81 114.28 106.40 1qxl n THR 26 Ca 0.30 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.83 1qxl n THR 26 Cb 1.03 0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 69.46 1qxl n THR 26 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1qxl h ILE 27 N 0.52 1.30 -0.52 2.28 2.04 -0.83 -2.72 117.51 119.58 1qxl h ILE 27 Ca 0.00 -2.20 0.04 0.00 1.00 0.00 0.00 64.86 63.70 1qxl h ILE 27 Cb 0.50 2.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.92 1qxl h ILE 27 CO 0.00 0.68 0.28 -0.07 0.00 0.00 0.00 178.15 179.04 1qxl h LEU 28 N 0.34 0.42 -0.89 1.44 3.38 -1.46 0.40 115.31 118.94 1qxl h LEU 28 Ca -0.12 0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.08 1qxl h LEU 28 Cb 1.63 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 42.20 1qxl h LEU 28 CO 0.19 0.29 0.41 0.22 0.09 0.00 0.00 178.44 179.64 1qxl h TYR 29 N 0.55 0.69 0.00 1.13 5.03 -1.39 -1.73 116.97 121.25 1qxl h TYR 29 Ca 0.22 0.04 -0.07 0.00 2.58 0.00 0.00 58.73 61.50 1qxl h TYR 29 Cb 0.10 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 1qxl h TYR 29 CO -0.09 0.00 -1.26 0.66 -1.32 0.00 0.00 178.16 176.16 1qxl n TYR 30 N -5.00 0.90 0.03 -3.82 4.01 -0.94 -1.51 117.16 110.83 1qxl n TYR 30 Ca 0.21 0.28 -0.13 0.00 -0.16 0.00 0.00 57.90 58.10 1qxl n TYR 30 Cb 0.61 -0.99 -0.08 0.00 -0.31 0.00 0.00 39.34 38.57 1qxl n TYR 30 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1qxl h GLY 31 N 3.89 -0.06 -0.14 2.72 0.00 -0.69 -1.18 103.07 107.61 1qxl h GLY 31 Ca -0.08 0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.33 1qxl h GLY 31 CO 0.02 -0.02 -0.42 0.50 0.00 0.00 0.00 176.54 176.62 1qxl h LYS 32 N -0.31 -0.39 -0.35 4.80 1.79 -1.48 -1.22 116.57 119.41 1qxl h LYS 32 Ca -0.01 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1qxl h LYS 32 Cb 0.28 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1qxl h LYS 32 CO 0.01 -0.26 0.00 2.89 -1.08 0.00 0.00 179.45 181.01 1qxl n ARG 33 N -5.42 0.84 0.00 3.15 1.85 -0.57 -3.87 116.66 112.64 1qxl n ARG 33 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1qxl n ARG 33 Cb 0.35 -1.17 0.00 0.00 -1.05 0.00 0.00 32.46 30.59 1qxl n ARG 33 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1qxl n ARG 34 N -0.26 0.00 0.00 2.89 1.74 -0.46 -5.00 116.66 115.57 1qxl n ARG 34 Ca 0.00 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1qxl n ARG 34 Cb 0.09 -0.51 0.00 0.00 -1.02 0.00 0.00 32.46 31.02 1qxl n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qxl n GLY 35 N -0.00 1.60 0.21 -0.13 0.00 -0.56 -4.96 105.19 101.34 1qxl n GLY 35 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1qxl n GLY 35 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qxl h ILE 36 N 0.00 1.26 -5.45 -0.61 5.03 -1.56 -3.47 117.51 112.72 1qxl h ILE 36 Ca 0.00 -1.25 0.00 0.00 -0.12 0.00 0.00 64.86 63.49 1qxl h ILE 36 Cb 0.00 1.54 -0.06 0.00 -3.03 0.00 0.00 36.82 35.26 1qxl h ILE 36 CO 0.00 0.37 -1.05 0.00 -0.68 0.00 0.00 178.15 176.79 1qxl n ALA 37 N -2.48 -2.86 -0.81 1.87 0.00 -1.19 -4.97 120.51 110.07 1qxl n ALA 37 Ca -0.01 1.23 -0.28 0.00 0.00 0.00 0.00 53.44 54.37 1qxl n ALA 37 Cb 0.40 -2.58 0.22 0.00 0.00 0.00 0.00 19.45 17.49 1qxl n ALA 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qxl s LEU 38 N -0.75 1.13 0.00 0.00 2.01 -1.26 -4.87 118.68 114.94 1qxl s LEU 38 Ca -0.13 1.37 0.00 0.00 0.01 0.00 0.00 54.13 55.38 1qxl s LEU 38 Cb 0.01 -3.39 0.00 0.00 0.01 0.00 0.00 46.19 42.82 1qxl s LEU 38 CO 0.53 -3.78 0.84 -0.81 1.01 0.00 0.00 176.35 174.14 1qxl n PRO 39 N -4.62 0.62 0.00 1.29 -0.04 -1.26 -4.85 135.00 126.14 1qxl n PRO 39 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1qxl n PRO 39 Cb 0.55 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1qxl n PRO 39 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qxl n ALA 40 N 1.04 0.00 -1.77 0.55 0.00 -1.26 -5.00 120.51 114.06 1qxl n ALA 40 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1qxl n ALA 40 Cb 0.31 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.78 1qxl n ALA 40 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1qxl n ASP 41 N 0.00 0.28 -4.85 0.00 2.03 -1.26 -4.82 116.55 107.93 1qxl n ASP 41 Ca 0.00 -2.02 -0.33 0.00 0.52 0.00 0.00 54.79 52.97 1qxl n ASP 41 Cb 0.00 -0.20 -0.06 0.00 -0.72 0.00 0.00 41.12 40.14 1qxl n ASP 41 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1qxl s THR 42 N -0.32 5.12 0.20 5.18 -4.23 -1.26 -5.01 115.64 115.32 1qxl s THR 42 Ca 0.03 -0.30 -0.22 0.00 -1.18 0.00 0.00 61.69 60.03 1qxl s THR 42 Cb 0.03 -3.38 0.14 0.00 1.34 0.00 0.00 72.50 70.62 1qxl s THR 42 CO 0.00 0.31 1.56 -0.65 -0.54 0.00 0.00 174.62 175.31 1qxl h PRO 43 N 3.86 -0.07 -0.69 3.99 0.11 -1.93 0.11 132.00 137.37 1qxl h PRO 43 Ca -0.49 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.69 1qxl h PRO 43 Cb 1.18 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 1qxl h PRO 43 CO 0.67 -0.04 -0.41 0.39 -0.21 0.00 0.00 178.00 178.39 1qxl n GLU 44 N -5.42 -0.31 0.20 1.05 1.02 -1.26 -1.43 120.64 114.50 1qxl n GLU 44 Ca 0.06 1.26 0.11 0.00 -0.02 0.00 0.00 57.16 58.58 1qxl n GLU 44 Cb 0.36 -1.86 0.14 0.00 -0.02 0.00 0.00 31.44 30.07 1qxl n GLU 44 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1qxl h GLU 45 N 0.00 0.00 -0.23 3.49 4.11 -1.23 -2.84 114.58 117.88 1qxl h GLU 45 Ca 0.11 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.55 1qxl h GLU 45 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1qxl h GLU 45 CO -0.65 0.03 0.13 1.25 0.07 0.00 0.00 179.01 179.84 1qxl h LEU 46 N 0.00 0.21 -0.55 3.06 5.85 -0.98 -3.20 115.31 119.71 1qxl h LEU 46 Ca -0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1qxl h LEU 46 Cb 1.03 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 1qxl h LEU 46 CO 0.00 0.16 0.28 0.25 -0.34 0.00 0.00 178.44 178.79 1qxl h LEU 47 N 0.27 0.39 -1.67 2.25 7.12 -0.98 -0.71 115.31 121.98 1qxl h LEU 47 Ca 0.09 0.03 0.06 0.00 0.13 0.00 0.00 57.88 58.20 1qxl h LEU 47 Cb -0.01 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.06 1qxl h LEU 47 CO -0.04 0.26 0.33 0.78 -0.13 0.00 0.00 178.44 179.64 1qxl h ASN 48 N 0.53 0.35 0.23 1.25 2.35 -1.64 0.11 115.58 118.76 1qxl h ASN 48 Ca 0.25 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.65 1qxl h ASN 48 Cb 0.17 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 1qxl h ASN 48 CO -0.18 0.23 -1.98 2.30 -1.65 0.00 0.00 177.43 176.15 1qxl n ILE 49 N -4.47 1.67 1.79 2.81 -5.35 -1.04 -4.03 119.36 110.73 1qxl n ILE 49 Ca 0.07 -0.71 0.07 0.00 -0.27 0.00 0.00 62.75 61.91 1qxl n ILE 49 Cb 0.27 -1.39 0.41 0.00 -1.74 0.00 0.00 39.64 37.19 1qxl n ILE 49 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 1qxl n ILE 50 N -3.27 0.00 -4.31 7.28 -5.35 -0.30 -4.81 119.36 108.61 1qxl n ILE 50 Ca -0.28 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 61.95 1qxl n ILE 50 Cb 1.05 -0.29 -0.08 0.00 -1.74 0.00 0.00 39.64 38.58 1qxl n ILE 50 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1qxl s GLY 51 N -1.54 1.70 0.05 3.28 0.00 0.36 -4.49 107.32 106.68 1qxl s GLY 51 Ca 0.21 -1.62 0.03 0.00 0.00 0.00 0.00 44.72 43.34 1qxl s GLY 51 CO 0.16 -1.67 0.02 1.06 0.00 0.00 0.00 173.10 172.67 1qxl s MET 52 N -3.40 2.72 0.00 2.90 -1.94 0.43 -4.88 119.30 115.13 1qxl s MET 52 Ca 0.29 -0.70 0.09 0.00 -1.71 0.00 0.00 55.69 53.66 1qxl s MET 52 Cb -0.07 -2.64 -0.04 0.00 2.01 0.00 0.00 34.83 34.09 1qxl s MET 52 CO 0.18 0.58 0.53 -0.40 -0.01 0.00 0.00 175.02 175.90 1qxl n ASP 53 N 0.93 0.89 -3.99 3.03 3.85 -1.26 -4.67 116.55 115.33 1qxl n ASP 53 Ca -0.12 -0.94 -0.09 0.00 -0.71 0.00 0.00 54.79 52.93 1qxl n ASP 53 Cb 0.52 0.68 -0.08 0.00 -1.35 0.00 0.00 41.12 40.89 1qxl n ASP 53 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1qxl s LYS 54 N -1.53 0.90 0.28 0.11 -2.85 -1.26 -4.98 119.74 110.40 1qxl s LYS 54 Ca 0.06 -1.16 -0.30 0.00 -1.00 0.00 0.00 55.97 53.58 1qxl s LYS 54 Cb 0.07 0.31 -0.10 0.00 -2.06 0.00 0.00 37.83 36.05 1qxl s LYS 54 CO 0.29 -0.28 1.40 -2.14 0.10 0.00 0.00 175.35 174.73 1qxl s PRO 55 N -3.94 4.28 0.41 1.78 0.02 -1.15 -4.90 135.00 131.51 1qxl s PRO 55 Ca 0.12 2.29 0.01 0.00 0.02 0.00 0.00 61.00 63.44 1qxl s PRO 55 Cb 0.06 -3.09 0.01 0.00 0.02 0.00 0.00 34.50 31.49 1qxl s PRO 55 CO -0.05 -0.36 0.09 1.28 -0.33 0.00 0.00 177.00 177.62 1qxl n LEU 56 N 1.84 0.00 -4.91 -5.54 4.77 -1.26 -5.05 117.00 106.85 1qxl n LEU 56 Ca 0.05 -2.45 -0.28 0.00 -0.03 0.00 0.00 56.01 53.30 1qxl n LEU 56 Cb 0.41 0.19 0.07 0.00 -2.33 0.00 0.00 43.42 41.76 1qxl n LEU 56 CO 0.60 -0.40 0.72 0.42 -1.33 0.00 0.00 177.39 177.40 1qxl s THR 57 N -2.36 2.40 0.20 -5.08 -4.23 -1.26 -4.85 115.64 100.45 1qxl s THR 57 Ca 0.07 -0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.47 1qxl s THR 57 Cb -0.01 -3.10 0.12 0.00 1.34 0.00 0.00 72.50 70.86 1qxl s THR 57 CO 0.04 -0.12 1.74 0.25 -0.54 0.00 0.00 174.62 175.99 1qxl h LEU 58 N -0.82 0.16 -0.90 4.79 6.46 -1.99 0.16 115.31 123.17 1qxl h LEU 58 Ca -0.45 0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 57.28 1qxl h LEU 58 Cb 1.31 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.30 1qxl h LEU 58 CO 0.64 0.11 -0.27 -0.65 -0.62 0.00 0.00 178.44 177.64 1qxl h PRO 59 N 0.35 0.49 0.00 5.25 0.11 -1.99 0.10 132.00 136.32 1qxl h PRO 59 Ca 0.28 -0.19 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 1qxl h PRO 59 Cb 0.34 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 1qxl h PRO 59 CO -0.30 0.72 -0.12 -0.44 -0.21 0.00 0.00 178.00 177.65 1qxl h ASP 60 N 0.43 0.00 -0.24 -2.05 3.32 -1.67 -2.39 116.42 113.82 1qxl h ASP 60 Ca 0.06 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.94 1qxl h ASP 60 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1qxl h ASP 60 CO 0.05 0.12 -0.51 0.15 -1.72 0.00 0.00 179.24 177.33 1qxl h PHE 61 N 0.00 0.98 -0.14 4.55 3.57 0.69 -3.28 116.94 123.31 1qxl h PHE 61 Ca -0.00 -0.36 -0.10 0.00 3.53 0.00 0.00 57.97 61.04 1qxl h PHE 61 Cb 0.24 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1qxl h PHE 61 CO 0.00 1.17 -0.35 -0.07 -2.23 0.00 0.00 178.31 176.83 1qxl h LEU 62 N 0.51 0.29 -1.75 0.59 3.38 -0.66 -2.74 115.31 114.92 1qxl h LEU 62 Ca 0.00 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 57.96 1qxl h LEU 62 Cb 1.12 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1qxl h LEU 62 CO 0.11 0.62 0.34 0.00 0.09 0.00 0.00 178.44 179.61 1qxl h ALA 63 N 1.40 2.09 -0.52 1.53 0.00 -1.52 -0.66 119.26 121.57 1qxl h ALA 63 Ca 0.03 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1qxl h ALA 63 Cb 0.73 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1qxl h ALA 63 CO 0.06 -0.20 0.13 0.87 0.00 0.00 0.00 179.25 180.11 1qxl h LYS 64 N 0.29 0.27 -0.91 0.00 1.57 -1.54 0.59 116.57 116.84 1qxl h LYS 64 Ca 0.23 -0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.13 1qxl h LYS 64 Cb 0.53 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.70 1qxl h LYS 64 CO -0.05 0.18 0.58 0.74 -0.57 0.00 0.00 179.45 180.33 1qxl h PHE 65 N 0.28 0.87 0.00 -1.35 -1.00 -1.26 -1.25 116.94 113.24 1qxl h PHE 65 Ca 0.26 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.07 1qxl h PHE 65 Cb 0.34 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1qxl h PHE 65 CO -0.21 0.32 0.00 -0.25 -1.61 0.00 0.00 178.31 176.57 1qxl n ASP 66 N -4.57 0.30 -0.04 2.17 9.92 0.13 -0.31 116.55 124.15 1qxl n ASP 66 Ca 0.18 0.60 -0.02 0.00 -0.53 0.00 0.00 54.79 55.02 1qxl n ASP 66 Cb 0.45 -0.65 -0.01 0.00 -0.64 0.00 0.00 41.12 40.27 1qxl n ASP 66 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1qxl h TYR 67 N 0.00 0.00 0.02 1.24 0.99 -0.49 -3.44 116.97 115.29 1qxl h TYR 67 Ca 0.00 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.51 1qxl h TYR 67 Cb 0.20 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.90 1qxl h TYR 67 CO 0.00 0.00 -1.02 0.10 -0.00 0.00 0.00 178.16 177.24 1qxl h TYR 68 N -0.61 0.08 -0.85 4.88 -0.00 -1.51 -3.36 116.97 115.60 1qxl h TYR 68 Ca 0.00 -0.06 0.14 0.00 0.00 0.00 0.00 58.73 58.81 1qxl h TYR 68 Cb 0.18 -0.00 -0.09 0.00 0.00 0.00 0.00 36.73 36.82 1qxl h TYR 68 CO -0.08 1.03 0.45 0.52 -0.00 0.00 0.00 178.16 180.08 1qxl h MET 69 N 0.01 0.64 0.00 0.10 2.86 -0.93 -2.51 114.93 115.10 1qxl h MET 69 Ca -0.03 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1qxl h MET 69 Cb 1.77 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 33.28 1qxl h MET 69 CO 0.14 0.42 -0.08 -1.00 1.06 0.00 0.00 176.91 177.45 1qxl h PRO 70 N 0.66 0.00 0.00 -0.22 0.13 -1.78 0.22 132.00 131.00 1qxl h PRO 70 Ca 0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.59 1qxl h PRO 70 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 1qxl h PRO 70 CO -0.35 0.08 0.00 0.00 -0.23 0.00 0.00 178.00 177.50 1qxl h ALA 71 N 1.92 1.00 0.00 -0.56 0.00 -1.67 -3.35 119.26 116.61 1qxl h ALA 71 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1qxl h ALA 71 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1qxl h ALA 71 CO 0.01 0.00 -1.52 -0.89 0.00 0.00 0.00 179.25 176.85 1qxl n ILE 72 N -2.73 0.53 -1.70 0.00 2.08 -0.62 -4.34 119.36 112.58 1qxl n ILE 72 Ca 0.01 -0.19 -0.40 0.00 0.56 0.00 0.00 62.75 62.73 1qxl n ILE 72 Cb 0.24 -0.95 0.03 0.00 -0.75 0.00 0.00 39.64 38.21 1qxl n ILE 72 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1qxl n ALA 73 N -2.88 1.14 -0.57 -1.39 0.00 0.66 -2.05 120.51 115.42 1qxl n ALA 73 Ca -0.17 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qxl n ALA 73 Cb 0.67 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1qxl n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qxl n GLY 74 N 0.90 1.12 3.34 0.00 0.00 -0.48 -4.91 105.19 105.16 1qxl n GLY 74 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1qxl n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qxl h ARG 76 N 8.24 0.77 -0.91 0.00 3.08 -1.93 0.18 114.38 123.81 1qxl h ARG 76 Ca -0.30 -0.05 0.25 0.00 0.07 0.00 0.00 59.98 59.95 1qxl h ARG 76 Cb 1.12 -0.17 -0.16 0.00 0.08 0.00 0.00 29.97 30.84 1qxl h ARG 76 CO 0.61 0.51 0.13 0.22 -1.07 0.00 0.00 179.97 180.37 1qxl h ASP 77 N 0.80 -0.24 0.12 7.04 3.58 -1.95 -2.72 116.42 123.05 1qxl h ASP 77 Ca 0.46 0.24 -0.24 0.00 0.42 0.00 0.00 57.03 57.91 1qxl h ASP 77 Cb 0.54 0.37 0.02 0.00 1.72 0.00 0.00 39.33 41.99 1qxl h ASP 77 CO -0.30 -0.26 -1.00 0.00 -2.88 0.00 0.00 179.24 174.80 1qxl h ALA 78 N 1.87 -0.04 -0.32 -0.78 0.00 -0.94 -2.66 119.26 116.39 1qxl h ALA 78 Ca 0.57 -0.72 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1qxl h ALA 78 Cb 1.17 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1qxl h ALA 78 CO -0.78 0.51 -0.11 0.82 0.00 0.00 0.00 179.25 179.69 1qxl h ILE 79 N -0.04 0.61 -0.48 0.00 1.08 -1.18 -0.38 117.51 117.11 1qxl h ILE 79 Ca -0.16 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1qxl h ILE 79 Cb 1.73 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 36.07 1qxl h ILE 79 CO 0.19 0.00 0.30 0.50 -0.69 0.00 0.00 178.15 178.45 1qxl h LYS 80 N -0.05 0.65 -0.58 2.37 3.64 -1.57 -2.70 116.57 118.34 1qxl h LYS 80 Ca 0.16 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1qxl h LYS 80 Cb 0.29 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1qxl h LYS 80 CO -0.36 0.47 0.26 -0.09 -2.27 0.00 0.00 179.45 177.46 1qxl h ARG 81 N 0.65 0.82 -0.03 1.90 2.43 -1.04 -2.57 114.38 116.53 1qxl h ARG 81 Ca 0.17 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1qxl h ARG 81 Cb -0.02 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1qxl h ARG 81 CO -0.03 0.65 -0.53 -0.84 -1.51 0.00 0.00 179.97 177.71 1qxl h ILE 82 N 0.81 1.37 0.46 1.20 3.07 -0.81 0.22 117.51 123.84 1qxl h ILE 82 Ca 0.20 -1.82 -0.01 0.00 1.55 0.00 0.00 64.86 64.77 1qxl h ILE 82 Cb 0.12 1.95 -0.01 0.00 -0.27 0.00 0.00 36.82 38.61 1qxl h ILE 82 CO -0.02 0.53 -0.32 0.00 -1.05 0.00 0.00 178.15 177.29 1qxl h ALA 83 N 1.39 -0.76 -0.16 0.16 0.00 -1.41 0.17 119.26 118.64 1qxl h ALA 83 Ca -0.00 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1qxl h ALA 83 Cb 0.97 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 1qxl h ALA 83 CO 0.07 -0.95 -0.42 -0.92 0.00 0.00 0.00 179.25 177.04 1qxl h TYR 84 N -0.75 -1.20 -0.07 0.00 3.20 -1.17 -2.22 116.97 114.74 1qxl h TYR 84 Ca -0.05 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.89 1qxl h TYR 84 Cb 0.63 0.55 -0.00 0.00 1.54 0.00 0.00 36.73 39.45 1qxl h TYR 84 CO -0.12 -0.47 0.06 0.93 -1.64 0.00 0.00 178.16 176.92 1qxl h GLU 85 N -0.47 0.00 -0.78 1.82 5.08 -0.57 0.26 114.58 119.93 1qxl h GLU 85 Ca 0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1qxl h GLU 85 Cb 0.62 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1qxl h GLU 85 CO -0.42 0.00 0.35 0.35 -1.00 0.00 0.00 179.01 178.30 1qxl h PHE 86 N 0.00 1.13 -0.17 4.33 3.04 -0.07 -1.40 116.94 123.80 1qxl h PHE 86 Ca 0.04 -0.06 -0.10 0.00 3.98 0.00 0.00 57.97 61.82 1qxl h PHE 86 Cb 0.16 -0.35 -0.00 0.00 2.56 0.00 0.00 35.95 38.32 1qxl h PHE 86 CO 0.00 0.83 -0.29 0.28 -2.02 0.00 0.00 178.31 177.11 1qxl h VAL 87 N 1.11 1.35 -0.08 1.41 2.07 -0.49 -2.57 116.25 119.05 1qxl h VAL 87 Ca 0.27 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 1qxl h VAL 87 Cb 0.14 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1qxl h VAL 87 CO -0.03 0.46 -0.17 1.05 0.02 0.00 0.00 177.57 178.90 1qxl h GLU 88 N 0.15 0.12 -0.99 1.57 4.11 -1.43 -0.78 114.58 117.33 1qxl h GLU 88 Ca 0.01 -0.03 0.22 0.00 0.07 0.00 0.00 59.36 59.64 1qxl h GLU 88 Cb 0.88 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.99 1qxl h GLU 88 CO 0.07 0.30 0.58 0.52 0.07 0.00 0.00 179.01 180.54 1qxl h MET 89 N 0.11 0.61 -0.00 1.06 2.86 -1.15 -2.68 114.93 115.75 1qxl h MET 89 Ca 0.02 -0.04 -0.19 0.00 -2.06 0.00 0.00 59.70 57.43 1qxl h MET 89 Cb 0.38 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1qxl h MET 89 CO 0.02 0.41 -0.85 0.87 1.06 0.00 0.00 176.91 178.42 1qxl h LYS 90 N 0.63 0.18 -0.79 1.72 1.79 -0.77 -2.98 116.57 116.35 1qxl h LYS 90 Ca 0.61 -0.19 0.10 0.00 -2.18 0.00 0.00 60.65 58.99 1qxl h LYS 90 Cb 1.08 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 31.71 1qxl h LYS 90 CO -0.45 0.92 0.43 0.00 -1.08 0.00 0.00 179.45 179.28 1qxl h ALA 91 N 1.01 1.12 0.00 3.86 0.00 -1.10 -1.00 119.26 123.15 1qxl h ALA 91 Ca -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1qxl h ALA 91 Cb 1.47 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1qxl h ALA 91 CO 0.13 0.04 -0.06 0.87 0.00 0.00 0.00 179.25 180.23 1qxl h LYS 92 N 0.72 0.00 -0.00 0.00 1.57 -1.38 -1.76 116.57 115.73 1qxl h LYS 92 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1qxl h LYS 92 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1qxl h LYS 92 CO -0.26 0.06 -0.04 -0.25 -0.57 0.00 0.00 179.45 178.40 1qxl n ASP 93 N -3.54 0.06 0.00 0.86 10.43 -0.42 -4.93 116.55 119.02 1qxl n ASP 93 Ca -0.02 0.17 0.00 0.00 2.57 0.00 0.00 54.79 57.51 1qxl n ASP 93 Cb 0.18 -0.35 0.00 0.00 1.84 0.00 0.00 41.12 42.79 1qxl n ASP 93 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1qxl n GLY 94 N 1.41 0.62 3.76 0.44 0.00 -0.66 -4.88 105.19 105.88 1qxl n GLY 94 Ca 0.10 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1qxl n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qxl s VAL 95 N -2.00 3.36 -0.22 1.61 1.01 -0.97 -1.49 120.40 121.70 1qxl s VAL 95 Ca 0.00 1.36 0.21 0.00 0.00 0.00 0.00 61.98 63.56 1qxl s VAL 95 Cb 0.00 -3.87 -0.31 0.00 0.00 0.00 0.00 36.38 32.20 1qxl s VAL 95 CO 0.00 0.32 0.55 1.33 0.00 0.00 0.00 175.10 177.30 1qxl n VAL 96 N 1.10 0.00 -3.67 2.92 0.24 0.83 -4.67 118.33 115.09 1qxl n VAL 96 Ca -0.01 -0.39 -0.08 0.00 -2.04 0.00 0.00 64.34 61.82 1qxl n VAL 96 Cb 0.44 0.21 -0.09 0.00 -1.47 0.00 0.00 33.84 32.94 1qxl n VAL 96 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1qxl s TYR 97 N -3.38 -0.88 0.05 6.34 5.04 -1.25 -1.46 117.35 121.82 1qxl s TYR 97 Ca -0.05 1.70 0.04 0.00 -2.44 0.00 0.00 57.07 56.33 1qxl s TYR 97 Cb 0.14 0.44 -0.03 0.00 0.35 0.00 0.00 41.96 42.87 1qxl s TYR 97 CO 0.88 -0.47 -0.12 0.54 -1.34 0.00 0.00 175.55 175.03 1qxl s VAL 98 N 2.05 0.95 -0.17 3.14 0.11 0.33 -2.61 120.40 124.20 1qxl s VAL 98 Ca -0.07 -1.15 -0.05 0.00 -2.93 0.00 0.00 61.98 57.78 1qxl s VAL 98 Cb -0.09 -0.92 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1qxl s VAL 98 CO -0.15 -0.20 0.00 -1.61 -3.33 0.00 0.00 175.10 169.81 1qxl s GLU 99 N -1.52 3.75 -0.02 1.54 2.02 -0.14 -0.86 118.70 123.48 1qxl s GLU 99 Ca -0.03 -0.47 0.08 0.00 0.02 0.00 0.00 54.97 54.57 1qxl s GLU 99 Cb -0.09 -3.05 -0.02 0.00 0.10 0.00 0.00 34.13 31.07 1qxl s GLU 99 CO 0.02 0.20 -0.26 0.54 0.02 0.00 0.00 175.26 175.77 1qxl s VAL 100 N 0.52 2.04 0.12 2.63 0.11 -0.01 -4.16 120.40 121.65 1qxl s VAL 100 Ca -0.01 -1.10 0.10 0.00 -2.93 0.00 0.00 61.98 58.04 1qxl s VAL 100 Cb -0.14 -1.69 -0.04 0.00 -1.53 0.00 0.00 36.38 32.99 1qxl s VAL 100 CO 0.02 0.58 -0.25 0.00 -3.33 0.00 0.00 175.10 172.12 1qxl s ARG 101 N -0.60 1.29 -0.17 1.54 1.70 -0.73 0.26 118.95 122.24 1qxl s ARG 101 Ca 0.10 -1.27 -0.30 0.00 -0.47 0.00 0.00 55.73 53.78 1qxl s ARG 101 Cb -0.10 -1.69 0.14 0.00 -0.57 0.00 0.00 34.95 32.72 1qxl s ARG 101 CO -0.01 0.40 1.07 1.52 -1.08 0.00 0.00 175.30 177.20 1qxl s TYR 102 N -1.10 -0.28 -0.30 5.89 -0.85 -0.33 -1.13 117.35 119.26 1qxl s TYR 102 Ca 0.11 0.43 -0.24 0.00 -0.52 0.00 0.00 57.07 56.84 1qxl s TYR 102 Cb -0.10 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.72 1qxl s TYR 102 CO 0.05 -0.29 0.83 0.45 -1.52 0.00 0.00 175.55 175.07 1qxl s SER 103 N -1.35 6.73 0.24 -0.18 0.15 -1.26 -0.34 113.70 117.69 1qxl s SER 103 Ca 0.02 0.78 -0.03 0.00 0.70 0.00 0.00 55.95 57.43 1qxl s SER 103 Cb -0.01 -2.43 0.28 0.00 -1.71 0.00 0.00 66.02 62.16 1qxl s SER 103 CO -0.02 -0.63 1.72 -0.65 1.20 0.00 0.00 173.24 174.86 1qxl h PRO 104 N 8.03 0.80 -0.99 5.44 0.11 -1.92 -2.55 132.00 140.92 1qxl h PRO 104 Ca -0.24 -0.24 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1qxl h PRO 104 Cb 1.09 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.06 1qxl h PRO 104 CO 0.90 0.84 0.65 0.45 -0.21 0.00 0.00 178.00 180.63 1qxl h HIS 105 N 0.74 1.21 0.00 0.65 3.86 -1.92 -2.97 115.15 116.71 1qxl h HIS 105 Ca 0.13 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1qxl h HIS 105 Cb 0.53 -0.40 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1qxl h HIS 105 CO 0.03 0.67 0.00 1.28 0.86 0.00 0.00 177.93 180.77 1qxl n LEU 106 N -4.46 0.39 -0.86 2.43 4.77 -0.96 -1.15 117.00 117.16 1qxl n LEU 106 Ca 0.14 0.62 0.09 0.00 -0.03 0.00 0.00 56.01 56.84 1qxl n LEU 106 Cb 0.13 -0.60 0.14 0.00 -2.33 0.00 0.00 43.42 40.76 1qxl n LEU 106 CO 0.34 -0.56 0.60 0.18 -1.33 0.00 0.00 177.39 176.62 1qxl n LEU 107 N -1.96 2.90 -4.96 2.23 4.77 -1.13 -4.90 117.00 113.95 1qxl n LEU 107 Ca 0.01 -1.35 -0.23 0.00 -0.03 0.00 0.00 56.01 54.41 1qxl n LEU 107 Cb 0.14 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1qxl n LEU 107 CO 0.13 0.60 0.48 0.00 -1.33 0.00 0.00 177.39 177.27 1qxl s ALA 108 N -1.35 3.60 -0.00 -1.18 0.00 -0.30 -1.38 121.76 121.15 1qxl s ALA 108 Ca 0.28 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1qxl s ALA 108 Cb 0.17 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 21.04 1qxl s ALA 108 CO 0.24 -1.03 0.72 0.27 0.00 0.00 0.00 175.76 175.96 1qxl n ASN 109 N -2.61 0.09 -3.72 0.00 0.23 0.11 -4.53 115.26 104.83 1qxl n ASN 109 Ca 0.09 -1.46 -0.10 0.00 -0.53 0.00 0.00 54.58 52.58 1qxl n ASN 109 Cb 0.60 -0.09 -0.04 0.00 -2.08 0.00 0.00 39.78 38.17 1qxl n ASN 109 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1qxl s SER 110 N -0.47 -0.24 -1.27 0.53 1.04 -0.60 -1.89 113.70 110.80 1qxl s SER 110 Ca 0.01 -0.46 -0.07 0.00 0.48 0.00 0.00 55.95 55.91 1qxl s SER 110 Cb 0.00 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.71 1qxl s SER 110 CO 0.00 -0.98 0.42 0.29 0.98 0.00 0.00 173.24 173.95 1qxl n LYS 111 N -0.30 -3.41 -3.84 4.02 5.02 -1.26 -4.02 118.16 114.37 1qxl n LYS 111 Ca -0.12 0.55 -0.16 0.00 -2.02 0.00 0.00 58.31 56.56 1qxl n LYS 111 Cb 0.63 -5.26 -0.16 0.00 -0.02 0.00 0.00 35.03 30.21 1qxl n LYS 111 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qxl s VAL 112 N -2.90 0.06 -0.06 -0.18 0.11 -1.26 -4.69 120.40 111.47 1qxl s VAL 112 Ca 0.31 0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.54 1qxl s VAL 112 Cb -0.16 -0.19 0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1qxl s VAL 112 CO 0.39 0.12 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.60 1qxl s GLU 113 N 1.12 1.16 1.11 1.54 0.41 -1.26 -3.24 118.70 119.54 1qxl s GLU 113 Ca -0.08 -0.20 -0.19 0.00 -0.41 0.00 0.00 54.97 54.09 1qxl s GLU 113 Cb -0.13 -1.10 0.29 0.00 -1.78 0.00 0.00 34.13 31.40 1qxl s GLU 113 CO -0.02 -0.08 0.72 -0.35 -0.49 0.00 0.00 175.26 175.03 1qxl n PRO 114 N 4.14 -3.93 -2.95 0.39 -0.04 -1.26 -4.98 135.00 126.38 1qxl n PRO 114 Ca -0.22 -1.19 -0.40 0.00 -0.04 0.00 0.00 63.50 61.64 1qxl n PRO 114 Cb 0.51 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 1qxl n PRO 114 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1qxl s ILE 115 N -2.02 4.98 0.75 0.52 1.01 -1.20 -5.06 121.20 120.18 1qxl s ILE 115 Ca 0.53 1.58 -0.11 0.00 0.00 0.00 0.00 60.65 62.66 1qxl s ILE 115 Cb -0.08 -4.11 0.04 0.00 0.01 0.00 0.00 42.46 38.32 1qxl s ILE 115 CO 0.44 0.18 1.08 -2.16 0.00 0.00 0.00 174.94 174.47 1qxl s PRO 116 N 1.18 2.50 -1.85 2.79 0.04 -1.26 -4.11 135.00 134.29 1qxl s PRO 116 Ca 0.40 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1qxl s PRO 116 Cb -0.18 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1qxl s PRO 116 CO 0.18 -1.40 0.00 0.91 0.04 0.00 0.00 177.00 176.74 1qxl n TRP 117 N -3.32 -0.59 -2.11 0.56 7.02 -1.26 -1.40 117.44 116.33 1qxl n TRP 117 Ca 0.08 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.46 1qxl n TRP 117 Cb 0.54 -3.65 -0.02 0.00 -2.42 0.00 0.00 31.31 25.77 1qxl n TRP 117 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1qxl n ASN 118 N -1.57 -0.51 -4.63 -0.99 5.03 -1.26 -4.87 115.26 106.47 1qxl n ASN 118 Ca -0.22 -0.25 -0.37 0.00 0.87 0.00 0.00 54.58 54.61 1qxl n ASN 118 Cb 0.67 -0.45 0.07 0.00 -1.02 0.00 0.00 39.78 39.05 1qxl n ASN 118 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1qxl n GLN 119 N -1.40 0.71 -1.01 3.52 6.02 -0.49 -5.00 117.38 119.73 1qxl n GLN 119 Ca 0.03 0.29 -0.32 0.00 -0.01 0.00 0.00 57.00 56.99 1qxl n GLN 119 Cb 0.15 -2.23 0.14 0.00 1.02 0.00 0.00 30.24 29.31 1qxl n GLN 119 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qxl s ALA 120 N -1.65 1.76 0.01 -1.58 0.00 -1.26 -4.90 121.76 114.14 1qxl s ALA 120 Ca 0.76 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 53.14 1qxl s ALA 120 Cb -0.37 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.22 1qxl s ALA 120 CO 0.48 -2.39 1.54 -2.00 0.00 0.00 0.00 175.76 173.39 1qxl s GLU 121 N -4.34 4.23 0.00 0.00 2.12 -1.26 -4.92 118.70 114.52 1qxl s GLU 121 Ca 0.70 2.14 0.00 0.00 0.36 0.00 0.00 54.97 58.17 1qxl s GLU 121 Cb -0.26 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.46 1qxl s GLU 121 CO 0.53 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 1qxl n GLY 122 N 3.87 2.37 0.09 -1.50 0.00 -0.79 -5.03 105.19 104.20 1qxl n GLY 122 Ca 0.15 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.47 1qxl n GLY 122 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qxl n ASP 123 N 0.00 1.01 -4.60 1.61 3.85 -1.26 -4.52 116.55 112.64 1qxl n ASP 123 Ca 0.00 -1.79 -0.43 0.00 -0.71 0.00 0.00 54.79 51.86 1qxl n ASP 123 Cb 0.00 -0.09 -0.02 0.00 -1.35 0.00 0.00 41.12 39.65 1qxl n ASP 123 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 1qxl s LEU 124 N -0.75 3.60 0.41 -2.12 0.20 -1.26 -4.79 118.68 113.97 1qxl s LEU 124 Ca 0.05 0.66 -0.01 0.00 0.69 0.00 0.00 54.13 55.52 1qxl s LEU 124 Cb 0.04 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.23 1qxl s LEU 124 CO 0.00 -1.36 0.63 0.42 -0.29 0.00 0.00 176.35 175.76 1qxl s THR 125 N 5.01 4.68 0.19 3.68 -4.23 -1.26 0.05 115.64 123.76 1qxl s THR 125 Ca 0.55 -0.36 -0.14 0.00 -1.18 0.00 0.00 61.69 60.57 1qxl s THR 125 Cb -0.11 -3.73 0.14 0.00 1.34 0.00 0.00 72.50 70.15 1qxl s THR 125 CO 0.32 -0.53 1.68 -0.65 -0.54 0.00 0.00 174.62 174.90 1qxl h PRO 126 N 0.53 0.10 -0.69 3.99 0.11 -1.82 -1.86 132.00 132.36 1qxl h PRO 126 Ca -0.48 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1qxl h PRO 126 Cb 1.23 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1qxl h PRO 126 CO 0.60 0.06 0.16 0.22 -0.21 0.00 0.00 178.00 178.83 1qxl h ASP 127 N 0.10 1.05 1.00 -2.05 1.82 -1.94 -1.80 116.42 114.59 1qxl h ASP 127 Ca 0.26 -0.23 -0.05 0.00 -0.39 0.00 0.00 57.03 56.63 1qxl h ASP 127 Cb 0.39 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 1qxl h ASP 127 CO -0.44 1.01 -0.22 1.05 -1.61 0.00 0.00 179.24 179.03 1qxl h GLU 128 N 1.04 0.00 -0.66 0.28 4.11 -1.89 -2.85 114.58 114.61 1qxl h GLU 128 Ca 0.22 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.74 1qxl h GLU 128 Cb 0.38 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 1qxl h GLU 128 CO 0.00 0.22 0.29 0.28 0.07 0.00 0.00 179.01 179.88 1qxl h VAL 129 N 0.00 0.80 -0.40 -1.06 2.07 -0.79 -1.41 116.25 115.46 1qxl h VAL 129 Ca -0.00 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1qxl h VAL 129 Cb 0.78 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1qxl h VAL 129 CO 0.03 0.09 0.08 1.62 0.02 0.00 0.00 177.57 179.41 1qxl h VAL 130 N 0.50 1.19 -0.48 2.57 3.04 -1.13 -1.97 116.25 119.96 1qxl h VAL 130 Ca 0.33 -0.67 0.07 0.00 -1.01 0.00 0.00 66.70 65.42 1qxl h VAL 130 Cb 0.39 0.80 -0.06 0.00 -2.01 0.00 0.00 31.29 30.40 1qxl h VAL 130 CO -0.29 0.24 0.14 -1.28 -1.01 0.00 0.00 177.57 175.37 1qxl h SER 131 N 0.58 0.10 0.04 3.17 0.87 -1.24 -0.73 113.55 116.34 1qxl h SER 131 Ca 0.13 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1qxl h SER 131 Cb 0.24 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1qxl h SER 131 CO -0.00 0.09 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.29 1qxl h LEU 132 N 0.30 -0.05 -0.71 2.23 4.07 -0.93 -1.00 115.31 119.22 1qxl h LEU 132 Ca 0.24 -0.26 0.14 0.00 0.08 0.00 0.00 57.88 58.07 1qxl h LEU 132 Cb 0.28 0.01 -0.10 0.00 1.08 0.00 0.00 40.66 41.94 1qxl h LEU 132 CO -0.27 0.24 0.23 0.58 -1.08 0.00 0.00 178.44 178.14 1qxl h VAL 133 N -0.34 0.63 -0.15 1.22 2.07 -1.43 -0.61 116.25 117.65 1qxl h VAL 133 Ca -0.01 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.44 1qxl h VAL 133 Cb 0.31 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 1qxl h VAL 133 CO 0.01 0.07 -0.16 0.78 0.02 0.00 0.00 177.57 178.28 1qxl h ASN 134 N 0.36 -0.50 -0.43 0.57 -0.26 -0.99 0.87 115.58 115.18 1qxl h ASN 134 Ca 0.39 0.09 0.05 0.00 -0.56 0.00 0.00 56.30 56.27 1qxl h ASN 134 Cb 0.60 0.24 -0.07 0.00 -1.06 0.00 0.00 38.32 38.03 1qxl h ASN 134 CO -0.42 -0.21 -0.43 1.56 -1.06 0.00 0.00 177.43 176.87 1qxl h GLN 135 N -0.19 -0.21 0.00 0.81 4.20 -0.25 0.15 115.11 119.62 1qxl h GLN 135 Ca 0.10 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1qxl h GLN 135 Cb 0.34 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1qxl h GLN 135 CO -0.26 -0.14 -0.13 0.78 -0.67 0.00 0.00 178.83 178.41 1qxl h GLY 136 N -0.22 0.00 1.29 3.46 0.00 -0.89 0.18 103.07 106.89 1qxl h GLY 136 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.23 1qxl h GLY 136 CO -0.52 0.00 -0.51 -2.00 0.00 0.00 0.00 176.54 173.50 1qxl h LEU 137 N 0.00 0.83 -0.45 3.11 5.85 -0.08 -0.01 115.31 124.56 1qxl h LEU 137 Ca -0.00 -0.43 -0.16 0.00 0.84 0.00 0.00 57.88 58.12 1qxl h LEU 137 Cb 0.48 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1qxl h LEU 137 CO 0.02 1.19 -0.49 1.56 -0.34 0.00 0.00 178.44 180.38 1qxl h GLN 138 N 0.59 0.74 0.00 1.25 4.20 0.45 0.65 115.11 122.99 1qxl h GLN 138 Ca 0.02 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.30 1qxl h GLN 138 Cb 1.09 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1qxl h GLN 138 CO 0.11 1.06 -0.16 1.05 -0.67 0.00 0.00 178.83 180.21 1qxl h GLU 139 N 0.58 0.00 -0.36 1.46 4.11 -0.62 -1.69 114.58 118.05 1qxl h GLU 139 Ca 0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.43 1qxl h GLU 139 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1qxl h GLU 139 CO 0.10 0.00 0.14 0.78 0.07 0.00 0.00 179.01 180.10 1qxl h GLY 140 N 4.39 0.58 0.53 1.06 0.00 -0.88 -1.66 103.07 107.09 1qxl h GLY 140 Ca 0.00 -0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.06 1qxl h GLY 140 CO 0.00 0.30 -0.01 -2.09 0.00 0.00 0.00 176.54 174.74 1qxl h GLU 141 N 0.44 0.07 -0.00 4.80 4.81 0.00 -0.58 114.58 124.11 1qxl h GLU 141 Ca 0.12 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1qxl h GLU 141 Cb 0.20 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1qxl h GLU 141 CO -0.01 0.04 -0.12 0.54 -0.73 0.00 0.00 179.01 178.73 1qxl n ARG 142 N -5.18 0.16 -0.02 1.92 1.74 -0.78 -1.71 116.66 112.80 1qxl n ARG 142 Ca -0.00 -0.04 -0.08 0.00 -0.77 0.00 0.00 57.85 56.96 1qxl n ARG 142 Cb 0.15 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.96 1qxl n ARG 142 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1qxl n ASP 143 N -1.38 0.87 -0.43 0.55 10.43 -0.63 -4.65 116.55 121.32 1qxl n ASP 143 Ca 0.09 0.41 0.05 0.00 2.57 0.00 0.00 54.79 57.91 1qxl n ASP 143 Cb 0.32 -0.05 0.07 0.00 1.84 0.00 0.00 41.12 43.30 1qxl n ASP 143 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1qxl n PHE 144 N -3.03 0.14 -0.84 1.24 3.01 -0.26 -5.02 117.46 112.70 1qxl n PHE 144 Ca -0.16 -0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.12 1qxl n PHE 144 Cb 1.03 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.49 1qxl n PHE 144 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qxl n GLY 145 N 0.47 0.80 3.36 1.37 0.00 -0.69 -4.86 105.19 105.64 1qxl n GLY 145 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1qxl n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qxl s VAL 146 N -3.08 3.82 -0.02 1.61 1.01 -1.25 -4.90 120.40 117.59 1qxl s VAL 146 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1qxl s VAL 146 Cb 0.00 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1qxl s VAL 146 CO 0.00 0.33 1.23 -0.75 0.00 0.00 0.00 175.10 175.91 1qxl s LYS 147 N 1.53 4.36 -0.06 2.72 2.47 -0.54 -4.48 119.74 125.74 1qxl s LYS 147 Ca 0.05 1.74 0.02 0.00 -1.56 0.00 0.00 55.97 56.23 1qxl s LYS 147 Cb -0.15 -3.52 0.01 0.00 -1.46 0.00 0.00 37.83 32.71 1qxl s LYS 147 CO 0.00 -0.43 -0.13 0.08 0.16 0.00 0.00 175.35 175.04 1qxl s VAL 148 N 2.02 1.16 0.34 4.02 1.01 -1.26 -0.51 120.40 127.17 1qxl s VAL 148 Ca 0.58 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 62.11 1qxl s VAL 148 Cb -0.27 -1.05 -0.07 0.00 0.00 0.00 0.00 36.38 35.00 1qxl s VAL 148 CO 0.24 0.36 0.01 -0.13 0.00 0.00 0.00 175.10 175.58 1qxl s ARG 149 N 0.59 1.72 0.37 2.72 1.81 -0.04 -4.98 118.95 121.15 1qxl s ARG 149 Ca -0.13 -1.94 0.05 0.00 -1.72 0.00 0.00 55.73 51.98 1qxl s ARG 149 Cb -0.15 -1.18 -0.07 0.00 -0.45 0.00 0.00 34.95 33.09 1qxl s ARG 149 CO 0.04 -0.09 0.04 -1.54 -0.68 0.00 0.00 175.30 173.07 1qxl s SER 150 N -3.55 3.11 -0.07 0.23 1.04 0.08 -0.83 113.70 113.71 1qxl s SER 150 Ca 0.34 -1.38 0.01 0.00 0.48 0.00 0.00 55.95 55.40 1qxl s SER 150 Cb 0.08 -0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.01 1qxl s SER 150 CO 0.15 -0.54 -0.07 -0.63 0.98 0.00 0.00 173.24 173.13 1qxl s ILE 151 N -3.02 0.82 -0.21 -1.02 1.01 0.14 -0.21 121.20 118.71 1qxl s ILE 151 Ca 0.35 -0.24 -0.09 0.00 0.00 0.00 0.00 60.65 60.68 1qxl s ILE 151 Cb 0.09 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 1qxl s ILE 151 CO 0.16 0.30 0.10 -0.76 0.00 0.00 0.00 174.94 174.75 1qxl s LEU 152 N 1.18 3.89 -0.18 2.97 1.02 -1.03 -1.18 118.68 125.35 1qxl s LEU 152 Ca -0.06 0.06 -0.20 0.00 0.02 0.00 0.00 54.13 53.95 1qxl s LEU 152 Cb -0.14 -2.01 -0.03 0.00 0.02 0.00 0.00 46.19 44.03 1qxl s LEU 152 CO -0.02 0.11 0.58 0.00 0.02 0.00 0.00 176.35 177.05 1qxl s MET 155 N -2.53 4.00 0.22 0.00 -1.94 -1.26 -0.69 119.30 117.09 1qxl s MET 155 Ca 0.62 -0.31 -0.17 0.00 -1.71 0.00 0.00 55.69 54.13 1qxl s MET 155 Cb -0.36 -3.48 0.22 0.00 2.01 0.00 0.00 34.83 33.23 1qxl s MET 155 CO 0.44 0.05 1.58 0.00 -0.01 0.00 0.00 175.02 177.08 1qxl h ARG 156 N 7.53 -0.07 0.00 2.03 3.08 -0.98 0.21 114.38 126.19 1qxl h ARG 156 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1qxl h ARG 156 Cb 1.17 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1qxl h ARG 156 CO 0.65 -0.05 0.00 -2.39 -1.07 0.00 0.00 179.97 177.11 1qxl n HIS 157 N -5.47 0.00 -3.24 3.04 1.44 -1.26 -3.85 115.22 105.87 1qxl n HIS 157 Ca 0.08 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.54 1qxl n HIS 157 Cb 0.39 -0.34 -0.07 0.00 0.12 0.00 0.00 29.99 30.08 1qxl n HIS 157 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1qxl n GLN 158 N -1.34 0.96 0.26 -1.40 -0.06 0.73 -4.90 117.38 111.63 1qxl n GLN 158 Ca 0.03 -3.44 0.18 0.00 -2.00 0.00 0.00 57.00 51.76 1qxl n GLN 158 Cb 0.05 -1.40 0.92 0.00 -4.06 0.00 0.00 30.24 25.75 1qxl n GLN 158 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1qxl h PRO 159 N 4.14 0.00 0.00 3.69 0.13 -1.71 -0.41 132.00 137.84 1qxl h PRO 159 Ca 0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 1qxl h PRO 159 Cb 0.85 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1qxl h PRO 159 CO 0.51 0.00 -0.13 0.66 -0.23 0.00 0.00 178.00 178.81 1qxl h SER 160 N 0.00 0.00 1.01 1.44 4.64 -1.92 -1.80 113.55 116.92 1qxl h SER 160 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1qxl h SER 160 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1qxl h SER 160 CO -0.00 0.13 0.00 0.79 -0.87 0.00 0.00 176.83 176.88 1qxl n TRP 161 N -3.71 0.82 0.08 4.77 8.01 -0.16 -4.26 117.44 122.99 1qxl n TRP 161 Ca -0.02 0.29 -0.02 0.00 -1.31 0.00 0.00 57.50 56.44 1qxl n TRP 161 Cb 0.24 -0.96 0.25 0.00 -2.01 0.00 0.00 31.31 28.83 1qxl n TRP 161 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 1qxl h SER 162 N 0.00 0.31 0.68 -0.99 0.02 -1.46 -1.65 113.55 110.45 1qxl h SER 162 Ca 0.00 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.76 1qxl h SER 162 Cb 0.50 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1qxl h SER 162 CO 0.00 0.62 -0.40 0.77 -1.14 0.00 0.00 176.83 176.68 1qxl h SER 163 N 0.27 0.00 1.69 3.07 4.64 -1.75 -1.60 113.55 119.87 1qxl h SER 163 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1qxl h SER 163 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1qxl h SER 163 CO 0.05 0.40 -0.27 1.05 -0.87 0.00 0.00 176.83 177.19 1qxl h GLU 164 N 0.00 0.00 0.38 4.77 4.11 -1.59 -2.68 114.58 119.57 1qxl h GLU 164 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1qxl h GLU 164 Cb 0.85 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 1qxl h GLU 164 CO 0.05 0.00 -0.52 -0.24 0.07 0.00 0.00 179.01 178.37 1qxl h VAL 165 N 0.00 0.00 -0.29 -1.06 3.04 -0.76 0.35 116.25 117.53 1qxl h VAL 165 Ca 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.77 1qxl h VAL 165 Cb 0.98 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.25 1qxl h VAL 165 CO 0.00 0.00 0.38 1.62 -1.01 0.00 0.00 177.57 178.56 1qxl h VAL 166 N -0.94 0.32 0.02 1.51 3.04 -1.33 0.27 116.25 119.15 1qxl h VAL 166 Ca -0.05 0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 65.38 1qxl h VAL 166 Cb 0.85 0.69 -0.03 0.00 -2.01 0.00 0.00 31.29 30.78 1qxl h VAL 166 CO -0.14 0.00 -1.39 -0.33 -1.01 0.00 0.00 177.57 174.70 1qxl h GLU 167 N 0.00 0.05 -0.71 4.17 4.39 -1.11 -2.59 114.58 118.79 1qxl h GLU 167 Ca 0.14 -0.09 0.07 0.00 0.34 0.00 0.00 59.36 59.82 1qxl h GLU 167 Cb 0.89 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.52 1qxl h GLU 167 CO -0.00 0.83 0.39 -0.07 -1.16 0.00 0.00 179.01 179.00 1qxl h LEU 168 N 0.01 0.58 -0.47 1.33 4.07 0.64 0.75 115.31 122.22 1qxl h LEU 168 Ca -0.17 0.03 0.09 0.00 0.08 0.00 0.00 57.88 57.92 1qxl h LEU 168 Cb 1.91 -0.08 -0.08 0.00 1.08 0.00 0.00 40.66 43.49 1qxl h LEU 168 CO 0.12 0.36 -0.05 0.00 -1.08 0.00 0.00 178.44 177.78 1qxl h LYS 170 N 0.06 0.34 -0.67 0.00 1.57 -1.27 -2.93 116.57 113.67 1qxl h LYS 170 Ca 0.23 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1qxl h LYS 170 Cb 0.35 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1qxl h LYS 170 CO -0.44 0.62 0.20 -0.22 -0.57 0.00 0.00 179.45 179.04 1qxl h LYS 171 N 0.04 1.03 -0.68 3.15 3.64 -0.84 -3.10 116.57 119.80 1qxl h LYS 171 Ca 0.04 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 1qxl h LYS 171 Cb 0.50 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1qxl h LYS 171 CO 0.02 0.88 0.05 0.66 -2.27 0.00 0.00 179.45 178.80 1qxl n TYR 172 N -4.26 1.86 -1.45 1.91 4.01 -0.16 -5.03 117.16 114.04 1qxl n TYR 172 Ca 0.05 -0.71 -0.49 0.00 -0.16 0.00 0.00 57.90 56.59 1qxl n TYR 172 Cb 0.22 -0.49 -0.03 0.00 -0.31 0.00 0.00 39.34 38.73 1qxl n TYR 172 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1qxl n ARG 173 N 0.39 0.25 0.00 -0.72 0.63 -1.11 -2.95 116.66 113.16 1qxl n ARG 173 Ca 0.26 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.28 1qxl n ARG 173 Cb 1.10 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 32.79 1qxl n ARG 173 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1qxl n GLU 174 N 1.06 0.00 -0.60 -0.14 0.00 -1.18 -4.64 120.64 115.14 1qxl n GLU 174 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.22 1qxl n GLU 174 Cb 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.61 1qxl n GLU 174 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1qxl n GLN 175 N 0.00 1.38 0.00 3.44 6.02 -1.22 -4.38 117.38 122.62 1qxl n GLN 175 Ca 0.00 -0.83 0.00 0.00 -0.01 0.00 0.00 57.00 56.16 1qxl n GLN 175 Cb 0.00 -1.99 0.00 0.00 1.02 0.00 0.00 30.24 29.27 1qxl n GLN 175 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1qxl n THR 176 N 3.22 0.39 -2.18 5.09 -2.24 -1.18 -4.90 114.28 112.48 1qxl n THR 176 Ca 0.30 -0.65 -0.43 0.00 -2.27 0.00 0.00 64.05 61.00 1qxl n THR 176 Cb 0.38 0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 69.44 1qxl n THR 176 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1qxl s VAL 177 N -0.39 3.81 -0.38 2.28 1.01 -1.15 -0.74 120.40 124.83 1qxl s VAL 177 Ca 0.00 0.93 0.09 0.00 0.00 0.00 0.00 61.98 63.00 1qxl s VAL 177 Cb 0.00 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 1qxl s VAL 177 CO 0.00 -0.27 0.36 1.33 0.00 0.00 0.00 175.10 176.52 1qxl n VAL 178 N 6.14 0.00 -3.89 2.92 0.24 0.70 -3.11 118.33 121.33 1qxl n VAL 178 Ca 0.17 -0.28 -0.08 0.00 -2.04 0.00 0.00 64.34 62.11 1qxl n VAL 178 Cb 0.45 0.92 -0.04 0.00 -1.47 0.00 0.00 33.84 33.71 1qxl n VAL 178 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qxl s ALA 179 N -1.94 -0.79 0.15 2.33 0.00 -1.20 -2.82 121.76 117.49 1qxl s ALA 179 Ca 0.03 -0.51 0.09 0.00 0.00 0.00 0.00 51.96 51.56 1qxl s ALA 179 Cb 0.07 0.94 -0.04 0.00 0.00 0.00 0.00 23.12 24.08 1qxl s ALA 179 CO 0.37 -0.93 -0.12 -1.50 0.00 0.00 0.00 175.76 173.59 1qxl s ILE 180 N -3.95 3.14 0.13 0.00 2.07 -0.23 -2.47 121.20 119.89 1qxl s ILE 180 Ca 0.15 -1.54 0.01 0.00 -1.41 0.00 0.00 60.65 57.87 1qxl s ILE 180 Cb -0.03 -2.51 -0.04 0.00 0.13 0.00 0.00 42.46 40.01 1qxl s ILE 180 CO 0.06 -0.01 -0.03 -0.62 -1.91 0.00 0.00 174.94 172.43 1qxl s ASP 181 N -2.53 1.08 -0.14 4.50 3.68 -0.63 -1.70 116.67 120.93 1qxl s ASP 181 Ca 0.22 -1.09 -0.00 0.00 2.13 0.00 0.00 52.55 53.81 1qxl s ASP 181 Cb -0.10 0.12 0.03 0.00 -1.45 0.00 0.00 42.92 41.53 1qxl s ASP 181 CO 0.14 -0.53 -0.09 -0.22 0.13 0.00 0.00 175.17 174.59 1qxl s LEU 182 N -3.09 1.49 0.39 -1.34 0.20 -1.20 0.10 118.68 115.22 1qxl s LEU 182 Ca 0.18 -0.48 0.07 0.00 0.69 0.00 0.00 54.13 54.58 1qxl s LEU 182 Cb 0.06 -0.96 -0.08 0.00 -0.43 0.00 0.00 46.19 44.78 1qxl s LEU 182 CO -0.01 -0.12 0.00 0.00 -0.29 0.00 0.00 176.35 175.93 1qxl s ALA 183 N 1.62 3.01 0.00 5.97 0.00 0.13 -1.00 121.76 131.49 1qxl s ALA 183 Ca 0.03 -2.24 0.00 0.00 0.00 0.00 0.00 51.96 49.76 1qxl s ALA 183 Cb -0.14 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1qxl s ALA 183 CO -0.09 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1qxl n GLY 184 N -0.90 0.91 0.36 0.00 0.00 -1.26 -0.47 105.19 103.82 1qxl n GLY 184 Ca -0.05 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1qxl n GLY 184 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qxl n ASP 185 N -0.00 -0.48 -0.19 1.61 2.03 -1.26 -4.37 116.55 113.88 1qxl n ASP 185 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1qxl n ASP 185 Cb 0.00 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1qxl n ASP 185 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1qxl n GLU 186 N -0.30 0.54 0.05 -0.67 0.28 -1.26 -3.03 120.64 116.26 1qxl n GLU 186 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 1qxl n GLU 186 Cb 0.12 -1.10 -0.09 0.00 1.43 0.00 0.00 31.44 31.80 1qxl n GLU 186 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1qxl h THR 187 N 0.00 1.16 -2.69 3.84 2.02 -1.91 -3.45 112.91 111.88 1qxl h THR 187 Ca 0.00 -2.80 -0.55 0.00 0.77 0.00 0.00 66.41 63.83 1qxl h THR 187 Cb 0.10 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1qxl h THR 187 CO 0.00 0.66 1.03 0.27 0.37 0.00 0.00 175.52 177.86 1qxl s ILE 188 N -2.77 3.73 -0.35 3.11 -4.36 -1.17 -4.85 121.20 114.54 1qxl s ILE 188 Ca -0.00 0.91 -0.43 0.00 -0.26 0.00 0.00 60.65 60.87 1qxl s ILE 188 Cb 0.09 -3.58 -0.17 0.00 1.25 0.00 0.00 42.46 40.04 1qxl s ILE 188 CO 0.80 -0.07 1.66 1.21 0.24 0.00 0.00 174.94 178.78 1qxl n GLU 189 N 6.90 0.68 -0.14 0.37 2.13 -1.26 -1.98 120.64 127.33 1qxl n GLU 189 Ca 0.16 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.23 1qxl n GLU 189 Cb 0.43 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 30.29 1qxl n GLU 189 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qxl n GLY 190 N 4.02 2.17 0.35 8.31 0.00 -1.26 -4.89 105.19 113.89 1qxl n GLY 190 Ca 0.28 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.48 1qxl n GLY 190 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qxl h SER 191 N 0.00 0.00 0.79 1.61 4.64 -1.77 0.10 113.55 118.92 1qxl h SER 191 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1qxl h SER 191 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qxl h SER 191 CO 0.00 0.00 -0.12 0.28 -0.87 0.00 0.00 176.83 176.12 1qxl h SER 192 N 0.00 0.00 -0.23 4.97 0.02 -1.90 -2.97 113.55 113.43 1qxl h SER 192 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1qxl h SER 192 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1qxl h SER 192 CO -0.00 0.12 0.00 0.18 -1.14 0.00 0.00 176.83 175.99 1qxl n LEU 193 N -3.33 3.10 -4.72 5.07 4.32 0.33 -4.47 117.00 117.29 1qxl n LEU 193 Ca -0.00 -1.22 -0.42 0.00 -0.02 0.00 0.00 56.01 54.35 1qxl n LEU 193 Cb 0.33 -0.14 -0.03 0.00 -1.62 0.00 0.00 43.42 41.96 1qxl n LEU 193 CO 0.30 0.61 1.30 -0.36 -1.22 0.00 0.00 177.39 178.02 1qxl s PHE 194 N -1.72 2.95 0.25 -1.77 0.08 -1.09 -4.78 117.98 111.91 1qxl s PHE 194 Ca 0.35 0.51 -0.10 0.00 0.12 0.00 0.00 56.93 57.80 1qxl s PHE 194 Cb 0.21 -4.05 0.38 0.00 -0.57 0.00 0.00 43.02 39.00 1qxl s PHE 194 CO 0.31 -3.88 1.59 -1.35 -0.10 0.00 0.00 175.22 171.79 1qxl h PRO 195 N 6.57 0.00 -0.69 0.24 0.11 -1.93 0.41 132.00 136.73 1qxl h PRO 195 Ca -0.43 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.74 1qxl h PRO 195 Cb 1.20 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 1qxl h PRO 195 CO 0.92 0.00 -0.41 0.41 -0.21 0.00 0.00 178.00 178.72 1qxl n GLY 196 N -1.54 -2.39 0.25 -0.55 0.00 -1.26 -0.08 105.19 99.61 1qxl n GLY 196 Ca 0.13 0.93 -0.09 0.00 0.00 0.00 0.00 46.02 46.99 1qxl n GLY 196 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1qxl h HIS 197 N 0.00 0.87 -0.45 1.61 3.86 -1.26 -2.54 115.15 117.23 1qxl h HIS 197 Ca 0.11 -0.12 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1qxl h HIS 197 Cb 0.28 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 1qxl h HIS 197 CO -0.89 0.80 0.20 -0.39 0.86 0.00 0.00 177.93 178.51 1qxl h VAL 198 N 0.70 0.92 0.00 2.45 -1.51 -0.79 -1.52 116.25 116.50 1qxl h VAL 198 Ca 0.15 -0.14 -0.06 0.00 -1.23 0.00 0.00 66.70 65.42 1qxl h VAL 198 Cb 0.39 0.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.03 1qxl h VAL 198 CO 0.01 0.07 -0.29 -0.61 -1.23 0.00 0.00 177.57 175.53 1qxl h GLN 199 N 0.40 0.00 -0.50 5.19 5.75 -0.48 -1.41 115.11 124.07 1qxl h GLN 199 Ca 0.20 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.65 1qxl h GLN 199 Cb 0.15 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 1qxl h GLN 199 CO -0.17 0.29 0.12 0.00 -2.65 0.00 0.00 178.83 176.41 1qxl h ALA 200 N 1.71 0.65 -0.06 3.38 0.00 -1.21 0.53 119.26 124.27 1qxl h ALA 200 Ca -0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1qxl h ALA 200 Cb 1.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1qxl h ALA 200 CO 0.04 0.35 -0.36 1.88 0.00 0.00 0.00 179.25 181.16 1qxl h TYR 201 N 0.68 0.13 -0.81 0.00 -1.99 -1.10 0.71 116.97 114.59 1qxl h TYR 201 Ca 0.16 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.85 1qxl h TYR 201 Cb 0.34 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.00 1qxl h TYR 201 CO 0.02 0.46 0.49 0.00 -0.00 0.00 0.00 178.16 179.13 1qxl h ALA 202 N 1.54 1.04 -0.46 3.88 0.00 -0.97 -0.61 119.26 123.68 1qxl h ALA 202 Ca 0.01 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1qxl h ALA 202 Cb 0.68 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1qxl h ALA 202 CO 0.05 0.51 -0.22 1.49 0.00 0.00 0.00 179.25 181.08 1qxl h GLU 203 N 1.12 0.94 -0.44 0.00 4.57 -0.33 -0.38 114.58 120.06 1qxl h GLU 203 Ca 0.29 -0.39 0.09 0.00 -1.18 0.00 0.00 59.36 58.17 1qxl h GLU 203 Cb -0.03 -0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 28.43 1qxl h GLU 203 CO -0.05 1.06 -0.21 0.00 -1.18 0.00 0.00 179.01 178.62 1qxl h ALA 204 N 0.93 0.11 -0.09 2.92 0.00 -0.79 0.92 119.26 123.27 1qxl h ALA 204 Ca 0.11 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1qxl h ALA 204 Cb 0.78 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1qxl h ALA 204 CO 0.06 -0.56 -0.18 0.28 0.00 0.00 0.00 179.25 178.85 1qxl h VAL 205 N -0.12 0.55 -0.99 0.00 2.07 -0.83 0.21 116.25 117.14 1qxl h VAL 205 Ca 0.21 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.95 1qxl h VAL 205 Cb 0.45 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 30.68 1qxl h VAL 205 CO -0.52 0.00 0.62 0.50 0.02 0.00 0.00 177.57 178.19 1qxl h LYS 206 N -0.25 0.57 -0.22 1.57 3.11 -0.71 -2.94 116.57 117.69 1qxl h LYS 206 Ca 0.08 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 57.81 1qxl h LYS 206 Cb 0.36 -0.13 -0.05 0.00 -1.00 0.00 0.00 32.23 31.42 1qxl h LYS 206 CO -0.23 0.37 -0.10 -1.13 -2.81 0.00 0.00 179.45 175.56 1qxl n SER 207 N -4.68 2.75 -2.68 4.20 3.41 0.29 -4.99 113.62 111.93 1qxl n SER 207 Ca 0.23 -3.46 -0.18 0.00 -0.26 0.00 0.00 58.87 55.20 1qxl n SER 207 Cb 0.68 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1qxl n SER 207 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qxl n GLY 208 N -1.01 -0.50 3.75 5.00 0.00 -0.79 -5.00 105.19 106.64 1qxl n GLY 208 Ca 0.25 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.92 1qxl n GLY 208 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qxl s VAL 209 N -2.87 4.88 0.69 1.61 -7.23 -0.01 -5.04 120.40 112.44 1qxl s VAL 209 Ca 0.12 1.39 -0.15 0.00 -1.81 0.00 0.00 61.98 61.53 1qxl s VAL 209 Cb -0.06 -4.00 0.02 0.00 0.56 0.00 0.00 36.38 32.90 1qxl s VAL 209 CO 0.14 0.37 1.14 -1.00 -0.31 0.00 0.00 175.10 175.44 1qxl s HIS 210 N 0.04 2.40 -0.05 2.82 3.76 -1.13 -4.44 115.29 118.70 1qxl s HIS 210 Ca 0.34 1.58 0.03 0.00 -0.15 0.00 0.00 55.06 56.86 1qxl s HIS 210 Cb -0.19 -3.27 0.00 0.00 1.11 0.00 0.00 32.58 30.24 1qxl s HIS 210 CO 0.19 -2.02 -0.15 1.03 -0.85 0.00 0.00 174.74 172.94 1qxl s ARG 211 N -4.09 1.77 0.13 1.40 0.52 -1.26 -1.07 118.95 116.35 1qxl s ARG 211 Ca 0.69 -0.53 0.06 0.00 -0.52 0.00 0.00 55.73 55.43 1qxl s ARG 211 Cb -0.23 -1.49 -0.04 0.00 0.52 0.00 0.00 34.95 33.71 1qxl s ARG 211 CO 0.44 0.15 -0.14 -0.08 0.02 0.00 0.00 175.30 175.69 1qxl s THR 212 N 0.29 1.37 -0.02 0.02 -1.32 -0.69 -1.27 115.64 114.02 1qxl s THR 212 Ca -0.09 -1.74 0.01 0.00 -1.21 0.00 0.00 61.69 58.66 1qxl s THR 212 Cb -0.13 -1.57 0.01 0.00 -1.51 0.00 0.00 72.50 69.30 1qxl s THR 212 CO 0.03 -0.42 -0.05 -0.69 -2.21 0.00 0.00 174.62 171.28 1qxl s VAL 213 N -2.16 0.49 -0.09 5.08 1.01 -1.06 -3.27 120.40 120.40 1qxl s VAL 213 Ca 0.10 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 1qxl s VAL 213 Cb -0.05 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 1qxl s VAL 213 CO 0.03 0.18 1.03 -1.00 0.00 0.00 0.00 175.10 175.34 1qxl s HIS 214 N 0.41 3.49 -0.28 5.22 3.76 -0.17 -0.03 115.29 127.70 1qxl s HIS 214 Ca -0.05 1.56 -0.24 0.00 -0.15 0.00 0.00 55.06 56.18 1qxl s HIS 214 Cb -0.09 -3.21 0.10 0.00 1.11 0.00 0.00 32.58 30.49 1qxl s HIS 214 CO -0.00 -0.33 0.85 0.00 -0.85 0.00 0.00 174.74 174.41 1qxl s ALA 215 N 1.92 -1.89 -0.78 -1.40 0.00 -0.20 -4.89 121.76 114.51 1qxl s ALA 215 Ca 0.50 2.02 0.00 0.00 0.00 0.00 0.00 51.96 54.48 1qxl s ALA 215 Cb -0.19 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1qxl s ALA 215 CO 0.20 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.06 1qxl n GLY 216 N 2.72 0.95 0.09 0.00 0.00 -1.26 -1.01 105.19 106.68 1qxl n GLY 216 Ca -0.14 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 1qxl n GLY 216 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qxl h GLU 217 N 0.02 -0.10 0.00 1.61 4.81 -1.91 -0.28 114.58 118.74 1qxl h GLU 217 Ca -0.15 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1qxl h GLU 217 Cb 0.49 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1qxl h GLU 217 CO 0.22 0.40 0.00 1.55 -0.73 0.00 0.00 179.01 180.45 1qxl n VAL 218 N -4.88 0.09 -3.77 0.32 3.14 -1.26 -4.70 118.33 107.26 1qxl n VAL 218 Ca -0.08 -0.29 -0.20 0.00 -2.96 0.00 0.00 64.34 60.80 1qxl n VAL 218 Cb 0.27 1.37 -0.02 0.00 -1.06 0.00 0.00 33.84 34.40 1qxl n VAL 218 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1qxl s GLY 219 N -0.09 1.49 1.03 7.55 0.00 -1.26 -4.92 107.32 111.12 1qxl s GLY 219 Ca 0.00 -1.42 -0.13 0.00 0.00 0.00 0.00 44.72 43.17 1qxl s GLY 219 CO 0.00 -1.39 1.08 -1.35 0.00 0.00 0.00 173.10 171.45 1qxl s SER 220 N -4.04 2.28 0.41 1.64 1.04 -1.26 -4.28 113.70 109.49 1qxl s SER 220 Ca 0.39 1.22 0.28 0.00 0.48 0.00 0.00 55.95 58.33 1qxl s SER 220 Cb -0.08 -1.91 1.51 0.00 0.10 0.00 0.00 66.02 65.63 1qxl s SER 220 CO 0.29 -3.35 1.85 0.00 0.98 0.00 0.00 173.24 173.01 1qxl h ALA 221 N -2.04 1.00 -0.18 5.32 0.00 -1.94 -2.11 119.26 119.30 1qxl h ALA 221 Ca -0.56 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 1qxl h ALA 221 Cb 1.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1qxl h ALA 221 CO 0.57 0.00 -0.28 -0.97 0.00 0.00 0.00 179.25 178.57 1qxl h ASN 222 N 0.00 0.35 -0.70 0.00 -1.24 -1.90 -1.31 115.58 110.77 1qxl h ASN 222 Ca 0.00 -0.12 -0.01 0.00 0.71 0.00 0.00 56.30 56.88 1qxl h ASN 222 Cb 0.01 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 38.93 1qxl h ASN 222 CO 0.00 0.62 0.40 1.62 -1.29 0.00 0.00 177.43 178.78 1qxl h VAL 223 N 0.31 1.21 0.51 2.57 3.04 -1.72 0.86 116.25 123.03 1qxl h VAL 223 Ca 0.05 -0.50 -0.03 0.00 -1.01 0.00 0.00 66.70 65.21 1qxl h VAL 223 Cb 0.65 0.24 0.01 0.00 -2.01 0.00 0.00 31.29 30.17 1qxl h VAL 223 CO 0.05 0.23 -0.25 0.58 -1.01 0.00 0.00 177.57 177.17 1qxl h VAL 224 N 0.99 0.49 -1.01 1.51 2.07 -1.57 -1.65 116.25 117.08 1qxl h VAL 224 Ca 0.25 -0.09 0.23 0.00 0.82 0.00 0.00 66.70 67.92 1qxl h VAL 224 Cb 0.01 0.53 -0.11 0.00 -1.52 0.00 0.00 31.29 30.20 1qxl h VAL 224 CO -0.04 0.02 0.62 0.50 0.02 0.00 0.00 177.57 178.68 1qxl h LYS 225 N -0.74 0.56 -0.44 1.57 3.64 -1.10 0.21 116.57 120.27 1qxl h LYS 225 Ca -0.07 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 1qxl h LYS 225 Cb 0.55 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1qxl h LYS 225 CO 0.12 0.37 0.05 0.93 -2.27 0.00 0.00 179.45 178.64 1qxl h GLU 226 N 0.58 0.69 -0.42 1.90 5.08 -0.66 -0.57 114.58 121.19 1qxl h GLU 226 Ca 0.60 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.73 1qxl h GLU 226 Cb 1.19 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1qxl h GLU 226 CO -0.37 0.67 -0.03 0.00 -1.00 0.00 0.00 179.01 178.28 1qxl h ALA 227 N 1.40 0.56 0.03 3.43 0.00 0.14 0.88 119.26 125.71 1qxl h ALA 227 Ca 0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1qxl h ALA 227 Cb 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1qxl h ALA 227 CO 0.01 0.38 -0.01 0.28 0.00 0.00 0.00 179.25 179.90 1qxl h VAL 228 N 0.58 1.41 0.10 0.00 2.07 -0.56 -0.78 116.25 119.07 1qxl h VAL 228 Ca 0.11 -1.58 -0.26 0.00 0.82 0.00 0.00 66.70 65.79 1qxl h VAL 228 Cb 0.53 2.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1qxl h VAL 228 CO 0.03 0.39 -1.23 0.44 0.02 0.00 0.00 177.57 177.22 1qxl h ASP 229 N -0.76 0.33 0.00 0.57 3.32 -1.21 -3.05 116.42 115.62 1qxl h ASP 229 Ca -0.00 -0.36 -0.27 0.00 0.02 0.00 0.00 57.03 56.42 1qxl h ASP 229 Cb 0.67 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.07 1qxl h ASP 229 CO 0.01 1.28 -2.02 1.07 -1.72 0.00 0.00 179.24 177.86 1qxl n THR 230 N -3.48 1.02 0.84 0.35 5.66 0.18 -4.30 114.28 114.55 1qxl n THR 230 Ca -0.08 -0.53 0.12 0.00 -3.05 0.00 0.00 64.05 60.51 1qxl n THR 230 Cb 1.01 -0.83 0.53 0.00 -1.55 0.00 0.00 70.33 69.48 1qxl n THR 230 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1qxl n LEU 231 N -2.74 0.06 -3.89 1.09 7.99 -0.44 -4.93 117.00 114.15 1qxl n LEU 231 Ca -0.27 0.51 -0.29 0.00 -0.01 0.00 0.00 56.01 55.94 1qxl n LEU 231 Cb 0.92 -0.49 0.03 0.00 -0.11 0.00 0.00 43.42 43.77 1qxl n LEU 231 CO 0.26 -0.09 0.07 0.29 -1.51 0.00 0.00 177.39 176.42 1qxl n LYS 232 N -1.56 -5.36 -1.69 3.23 4.76 -1.01 -4.85 118.16 111.68 1qxl n LYS 232 Ca 0.06 0.59 -0.36 0.00 -2.87 0.00 0.00 58.31 55.73 1qxl n LYS 232 Cb 0.30 -5.42 0.07 0.00 -1.84 0.00 0.00 35.03 28.14 1qxl n LYS 232 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1qxl s THR 233 N -3.37 2.11 -0.12 -0.18 -4.23 -0.33 -4.87 115.64 104.65 1qxl s THR 233 Ca 0.56 0.06 0.17 0.00 -1.18 0.00 0.00 61.69 61.30 1qxl s THR 233 Cb -0.28 -2.94 -0.14 0.00 1.34 0.00 0.00 72.50 70.48 1qxl s THR 233 CO 0.83 -0.02 0.81 -0.62 -0.54 0.00 0.00 174.62 175.08 1qxl n GLU 234 N -2.07 0.62 -4.19 3.99 1.02 -0.40 -4.86 120.64 114.75 1qxl n GLU 234 Ca 0.15 0.22 -0.12 0.00 -0.02 0.00 0.00 57.16 57.39 1qxl n GLU 234 Cb 0.49 -1.80 -0.10 0.00 -0.02 0.00 0.00 31.44 30.01 1qxl n GLU 234 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1qxl s ARG 235 N -2.92 1.22 -0.16 3.49 0.52 -0.88 -4.30 118.95 115.92 1qxl s ARG 235 Ca -0.03 -1.60 -0.02 0.00 -0.52 0.00 0.00 55.73 53.56 1qxl s ARG 235 Cb 0.09 0.28 -0.01 0.00 0.52 0.00 0.00 34.95 35.83 1qxl s ARG 235 CO 0.81 -0.40 -0.09 -0.51 0.02 0.00 0.00 175.30 175.12 1qxl s LEU 236 N -3.15 2.82 -0.29 2.53 1.43 -0.39 -2.57 118.68 119.05 1qxl s LEU 236 Ca 0.38 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 1qxl s LEU 236 Cb 0.07 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 1qxl s LEU 236 CO 0.12 0.10 1.59 -0.83 0.23 0.00 0.00 176.35 177.56 1qxl s GLY 237 N 0.73 1.10 0.00 -3.19 0.00 0.96 -0.88 107.32 106.05 1qxl s GLY 237 Ca -0.04 0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1qxl s GLY 237 CO 0.02 2.99 0.00 1.42 0.00 0.00 0.00 173.10 177.52 1qxl n HIS 238 N 8.92 0.00 -1.88 1.90 8.25 -0.88 -1.03 115.22 130.50 1qxl n HIS 238 Ca 0.19 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.55 1qxl n HIS 238 Cb 0.46 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.55 1qxl n HIS 238 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qxl n GLY 239 N 0.00 0.38 0.24 -1.41 0.00 -0.18 -4.46 105.19 99.76 1qxl n GLY 239 Ca 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1qxl n GLY 239 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1qxl h TYR 240 N 0.00 0.81 0.00 1.61 0.05 -1.42 -2.40 116.97 115.61 1qxl h TYR 240 Ca -0.24 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.46 1qxl h TYR 240 Cb 1.00 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.51 1qxl h TYR 240 CO 0.28 0.70 0.00 0.72 -1.05 0.00 0.00 178.16 178.81 1qxl n HIS 241 N -4.50 0.00 0.29 4.88 8.25 -0.24 -2.18 115.22 121.72 1qxl n HIS 241 Ca 0.02 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.65 1qxl n HIS 241 Cb 0.19 -0.29 0.89 0.00 1.12 0.00 0.00 29.99 31.91 1qxl n HIS 241 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qxl h THR 242 N 0.00 0.00 0.00 1.59 1.03 -1.70 -2.19 112.91 111.64 1qxl h THR 242 Ca 0.00 -0.11 -0.04 0.00 -0.01 0.00 0.00 66.41 66.25 1qxl h THR 242 Cb 0.07 0.93 -0.01 0.00 -1.07 0.00 0.00 68.15 68.08 1qxl h THR 242 CO 0.00 0.00 -0.20 -0.07 -0.01 0.00 0.00 175.52 175.24 1qxl h LEU 243 N 0.00 0.00 -1.71 0.00 -0.00 -1.67 -2.54 115.31 109.39 1qxl h LEU 243 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1qxl h LEU 243 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.78 1qxl h LEU 243 CO 0.00 0.20 0.00 1.05 -0.00 0.00 0.00 178.44 179.69 1qxl h GLU 244 N 0.00 0.00 -4.58 1.13 4.11 -1.62 -3.39 114.58 110.22 1qxl h GLU 244 Ca -0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.79 1qxl h GLU 244 Cb 0.56 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.44 1qxl h GLU 244 CO 0.03 0.00 -0.79 0.34 0.07 0.00 0.00 179.01 178.66 1qxl s ASP 245 N -4.77 4.15 0.30 3.06 3.68 -0.96 -5.02 116.67 117.10 1qxl s ASP 245 Ca -0.01 -1.31 0.15 0.00 2.13 0.00 0.00 52.55 53.51 1qxl s ASP 245 Cb 0.09 -1.35 0.35 0.00 -1.45 0.00 0.00 42.92 40.56 1qxl s ASP 245 CO 0.38 -0.22 1.58 0.71 0.13 0.00 0.00 175.17 177.74 1qxl h THR 246 N 6.71 1.08 -0.47 1.71 1.35 -1.82 0.68 112.91 122.16 1qxl h THR 246 Ca -0.18 -2.06 -0.13 0.00 -0.55 0.00 0.00 66.41 63.49 1qxl h THR 246 Cb 1.06 2.22 -0.01 0.00 -1.73 0.00 0.00 68.15 69.68 1qxl h THR 246 CO 0.44 0.52 -0.21 0.74 -0.25 0.00 0.00 175.52 176.76 1qxl h THR 247 N 0.00 1.27 0.16 6.82 2.02 -1.95 0.76 112.91 121.99 1qxl h THR 247 Ca -0.01 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.80 1qxl h THR 247 Cb 1.18 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1qxl h THR 247 CO 0.07 0.47 -0.08 0.25 0.37 0.00 0.00 175.52 176.60 1qxl h LEU 248 N 0.83 -0.19 -0.55 2.58 5.85 -1.79 0.87 115.31 122.91 1qxl h LEU 248 Ca 0.11 -0.18 0.11 0.00 0.84 0.00 0.00 57.88 58.76 1qxl h LEU 248 Cb 0.77 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.75 1qxl h LEU 248 CO 0.06 0.08 -0.06 0.22 -0.34 0.00 0.00 178.44 178.40 1qxl h TYR 249 N -0.46 -0.15 -0.57 1.25 5.03 -0.80 -0.05 116.97 121.22 1qxl h TYR 249 Ca -0.02 0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.31 1qxl h TYR 249 Cb 0.35 0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.76 1qxl h TYR 249 CO 0.00 -0.19 0.26 -0.91 -1.32 0.00 0.00 178.16 176.01 1qxl h ASN 250 N 0.06 0.73 -0.12 -2.11 2.35 -0.48 0.17 115.58 116.18 1qxl h ASN 250 Ca 0.28 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 1qxl h ASN 250 Cb 0.43 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 1qxl h ASN 250 CO -0.52 0.63 -0.04 -0.09 -1.65 0.00 0.00 177.43 175.76 1qxl h ARG 251 N 0.80 0.23 -0.71 0.81 2.43 -0.27 -1.37 114.38 116.29 1qxl h ARG 251 Ca 0.20 -0.09 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 1qxl h ARG 251 Cb 0.10 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.58 1qxl h ARG 251 CO -0.02 0.55 0.38 -0.07 -1.51 0.00 0.00 179.97 179.30 1qxl h LEU 252 N -0.10 0.54 -0.74 3.80 3.38 -0.63 0.10 115.31 121.66 1qxl h LEU 252 Ca 0.03 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.17 1qxl h LEU 252 Cb 0.47 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.08 1qxl h LEU 252 CO 0.01 0.33 0.32 0.08 0.09 0.00 0.00 178.44 179.27 1qxl h ARG 253 N 0.68 0.48 0.00 1.13 -0.00 -0.85 0.88 114.38 116.70 1qxl h ARG 253 Ca 0.34 -0.03 -0.06 0.00 -0.00 0.00 0.00 59.98 60.23 1qxl h ARG 253 Cb 0.28 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.97 30.13 1qxl h ARG 253 CO -0.22 0.32 -0.28 0.37 -0.00 0.00 0.00 179.97 180.16 1qxl h GLN 254 N 0.50 0.00 -0.00 0.08 4.15 -0.06 -1.30 115.11 118.47 1qxl h GLN 254 Ca 0.39 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.81 1qxl h GLN 254 Cb 0.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.23 1qxl h GLN 254 CO -0.36 0.28 -0.23 -1.91 -1.93 0.00 0.00 178.83 174.68 1qxl n GLU 255 N -4.11 0.60 -2.23 1.69 2.13 0.24 -4.90 120.64 114.05 1qxl n GLU 255 Ca -0.02 -0.29 -0.12 0.00 0.66 0.00 0.00 57.16 57.39 1qxl n GLU 255 Cb 0.33 -1.49 -0.00 0.00 0.27 0.00 0.00 31.44 30.54 1qxl n GLU 255 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1qxl n ASN 256 N -0.94 -3.72 -4.62 4.31 5.15 0.22 -4.94 115.26 110.71 1qxl n ASN 256 Ca 0.12 -0.01 -0.45 0.00 -0.60 0.00 0.00 54.58 53.63 1qxl n ASN 256 Cb 0.32 -2.94 -0.02 0.00 -0.53 0.00 0.00 39.78 36.61 1qxl n ASN 256 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1qxl n MET 257 N -2.12 1.59 -3.10 1.20 2.81 -0.77 -4.88 117.12 111.86 1qxl n MET 257 Ca -0.13 0.56 -0.40 0.00 -1.81 0.00 0.00 57.70 55.91 1qxl n MET 257 Cb 0.60 -2.03 -0.06 0.00 -0.71 0.00 0.00 33.22 31.02 1qxl n MET 257 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1qxl s HIS 258 N -0.83 3.38 -0.29 2.03 2.46 -1.26 -4.36 115.29 116.43 1qxl s HIS 258 Ca 0.61 0.95 -0.14 0.00 0.47 0.00 0.00 55.06 56.95 1qxl s HIS 258 Cb -0.68 -2.82 -0.04 0.00 -0.13 0.00 0.00 32.58 28.92 1qxl s HIS 258 CO 0.58 -0.18 0.32 -0.06 -2.47 0.00 0.00 174.74 172.93 1qxl s PHE 259 N 1.93 3.23 -0.92 3.88 0.40 -0.31 -1.26 117.98 124.93 1qxl s PHE 259 Ca 0.29 0.24 -0.19 0.00 -0.60 0.00 0.00 56.93 56.67 1qxl s PHE 259 Cb -0.16 -2.54 0.12 0.00 0.51 0.00 0.00 43.02 40.95 1qxl s PHE 259 CO 0.10 -0.25 1.15 -1.21 0.70 0.00 0.00 175.22 175.71 1qxl s GLU 260 N 1.97 3.57 0.11 0.44 2.02 -0.05 -0.88 118.70 125.87 1qxl s GLU 260 Ca 0.12 -1.63 -0.27 0.00 0.02 0.00 0.00 54.97 53.21 1qxl s GLU 260 Cb -0.16 -4.92 -0.06 0.00 0.10 0.00 0.00 34.13 29.09 1qxl s GLU 260 CO 0.11 -1.82 0.86 0.42 0.02 0.00 0.00 175.26 174.84 1qxl s ILE 261 N 3.03 4.51 -0.69 -1.63 -1.09 -0.33 -2.07 121.20 122.92 1qxl s ILE 261 Ca 0.33 1.86 0.04 0.00 -2.23 0.00 0.00 60.65 60.65 1qxl s ILE 261 Cb -0.05 -4.22 0.17 0.00 -1.58 0.00 0.00 42.46 36.78 1qxl s ILE 261 CO -0.08 0.39 0.48 0.00 -1.23 0.00 0.00 174.94 174.50 1qxl h PRO 263 N 5.66 -0.35 -0.03 0.00 0.11 -1.94 0.89 132.00 136.34 1qxl h PRO 263 Ca 0.11 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 1qxl h PRO 263 Cb 0.78 0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1qxl h PRO 263 CO 0.73 -0.23 0.00 2.35 -0.21 0.00 0.00 178.00 180.63 1qxl h TRP 264 N -0.37 0.06 -0.88 0.65 2.91 -1.91 -2.04 115.95 114.37 1qxl h TRP 264 Ca -0.02 -0.01 0.19 0.00 1.13 0.00 0.00 58.89 60.18 1qxl h TRP 264 Cb 0.31 -0.02 -0.17 0.00 -0.51 0.00 0.00 29.16 28.77 1qxl h TRP 264 CO -0.09 0.33 -0.17 0.45 -1.03 0.00 0.00 178.44 177.94 1qxl n SER 265 N -4.91 -0.27 -0.20 2.65 2.88 -1.18 -1.78 113.62 110.82 1qxl n SER 265 Ca -0.07 1.51 -0.08 0.00 -1.33 0.00 0.00 58.87 58.90 1qxl n SER 265 Cb 0.17 -0.48 0.02 0.00 -0.75 0.00 0.00 64.21 63.18 1qxl n SER 265 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1qxl h SER 266 N 0.00 0.75 0.28 -3.46 4.64 -0.08 0.21 113.55 115.90 1qxl h SER 266 Ca 0.45 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1qxl h SER 266 Cb 0.74 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 1qxl h SER 266 CO -0.89 0.70 -0.30 0.22 -0.87 0.00 0.00 176.83 175.69 1qxl h TYR 267 N 0.76 -0.80 -0.85 4.77 3.20 -1.41 -0.99 116.97 121.66 1qxl h TYR 267 Ca 0.19 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 1qxl h TYR 267 Cb 0.16 0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1qxl h TYR 267 CO 0.00 -0.43 0.41 -0.07 -1.64 0.00 0.00 178.16 176.44 1qxl h LEU 268 N -0.62 1.11 -0.71 2.82 4.07 -1.10 -2.75 115.31 118.13 1qxl h LEU 268 Ca -0.01 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1qxl h LEU 268 Cb 0.57 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.03 1qxl h LEU 268 CO -0.07 0.93 0.00 0.71 -1.08 0.00 0.00 178.44 178.93 1qxl h THR 269 N 1.21 0.00 0.00 0.22 1.35 -1.00 -3.04 112.91 111.65 1qxl h THR 269 Ca 0.29 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1qxl h THR 269 Cb 0.11 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1qxl h THR 269 CO -0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.84 1qxl n GLY 270 N 0.37 0.59 0.22 5.82 0.00 -1.04 -4.80 105.19 106.36 1qxl n GLY 270 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1qxl n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qxl h ALA 271 N 0.00 1.24 -3.32 4.61 0.00 -1.62 -3.40 119.26 116.77 1qxl h ALA 271 Ca 0.00 -0.22 -0.68 0.00 0.00 0.00 0.00 54.91 54.01 1qxl h ALA 271 Cb 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 17.42 1qxl h ALA 271 CO 0.00 0.31 -0.88 -0.46 0.00 0.00 0.00 179.25 178.22 1qxl s TRP 272 N -4.04 2.55 -0.19 0.00 -0.00 -0.45 -4.96 118.94 111.85 1qxl s TRP 272 Ca -0.02 -1.08 -0.08 0.00 -0.00 0.00 0.00 56.10 54.92 1qxl s TRP 272 Cb 0.13 -1.71 -0.04 0.00 -0.00 0.00 0.00 33.47 31.85 1qxl s TRP 272 CO 0.65 -0.45 0.07 0.15 -0.00 0.00 0.00 176.95 177.37 1qxl s LYS 273 N 0.42 3.94 0.02 5.86 -0.14 -1.26 -4.43 119.74 124.15 1qxl s LYS 273 Ca -0.17 -0.36 0.01 0.00 -1.36 0.00 0.00 55.97 54.09 1qxl s LYS 273 Cb -0.18 -3.24 0.06 0.00 -1.68 0.00 0.00 37.83 32.80 1qxl s LYS 273 CO 0.07 0.21 0.93 -2.30 -0.76 0.00 0.00 175.35 173.50 1qxl n PRO 274 N 3.74 0.01 0.00 -1.68 -0.02 -1.26 -0.24 135.00 135.55 1qxl n PRO 274 Ca -0.16 0.41 0.07 0.00 -2.02 0.00 0.00 63.50 61.79 1qxl n PRO 274 Cb 0.52 -1.64 0.41 0.00 -0.02 0.00 0.00 33.50 32.77 1qxl n PRO 274 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1qxl n ASP 275 N -1.44 0.00 -4.64 2.55 5.68 -1.26 -4.89 116.55 112.54 1qxl n ASP 275 Ca -0.00 -1.18 -0.24 0.00 -0.50 0.00 0.00 54.79 52.87 1qxl n ASP 275 Cb 0.11 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.02 1qxl n ASP 275 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1qxl s THR 276 N -2.00 2.96 0.04 2.12 2.01 0.67 -5.11 115.64 116.34 1qxl s THR 276 Ca 0.21 -1.93 -0.37 0.00 0.31 0.00 0.00 61.69 59.90 1qxl s THR 276 Cb 0.09 -2.81 -0.17 0.00 0.01 0.00 0.00 72.50 69.63 1qxl s THR 276 CO 0.16 -0.27 1.36 -1.84 -0.69 0.00 0.00 174.62 173.34 1qxl n GLU 277 N -0.95 1.07 -2.46 4.92 0.28 -1.26 -4.95 120.64 117.29 1qxl n GLU 277 Ca -0.05 0.38 -0.42 0.00 -0.16 0.00 0.00 57.16 56.92 1qxl n GLU 277 Cb 0.61 -2.02 -0.03 0.00 1.43 0.00 0.00 31.44 31.42 1qxl n GLU 277 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1qxl s HIS 278 N 0.76 3.49 0.37 -1.84 5.65 -1.26 -4.90 115.29 117.55 1qxl s HIS 278 Ca 0.86 1.42 0.19 0.00 0.25 0.00 0.00 55.06 57.78 1qxl s HIS 278 Cb -0.99 -3.36 1.22 0.00 -1.18 0.00 0.00 32.58 28.27 1qxl s HIS 278 CO 0.49 -1.01 1.64 0.00 -0.65 0.00 0.00 174.74 175.21 1qxl h ALA 279 N 6.21 2.16 -0.61 1.58 0.00 -1.95 -1.85 119.26 124.80 1qxl h ALA 279 Ca -0.43 0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.76 1qxl h ALA 279 Cb 1.21 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1qxl h ALA 279 CO 0.78 -0.82 0.41 -0.24 0.00 0.00 0.00 179.25 179.38 1qxl h VAL 280 N 0.20 0.95 -0.03 0.00 3.04 -1.98 0.63 116.25 119.06 1qxl h VAL 280 Ca 0.78 -0.18 -0.22 0.00 -1.01 0.00 0.00 66.70 66.07 1qxl h VAL 280 Cb 1.98 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 1qxl h VAL 280 CO -0.60 0.09 -0.88 0.16 -1.01 0.00 0.00 177.57 175.33 1qxl h ILE 281 N 0.52 1.39 -0.56 3.17 -2.65 -1.72 0.48 117.51 118.13 1qxl h ILE 281 Ca 0.28 -2.35 0.11 0.00 1.03 0.00 0.00 64.86 63.93 1qxl h ILE 281 Cb 0.41 2.32 -0.11 0.00 -2.05 0.00 0.00 36.82 37.39 1qxl h ILE 281 CO -0.08 0.70 -0.16 -0.09 0.03 0.00 0.00 178.15 178.55 1qxl h ARG 282 N 0.26 -0.02 -0.17 0.16 9.65 -1.51 0.69 114.38 123.43 1qxl h ARG 282 Ca -0.07 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.76 1qxl h ARG 282 Cb 1.50 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.08 1qxl h ARG 282 CO 0.15 -0.02 -0.16 0.74 2.80 0.00 0.00 179.97 183.49 1qxl h PHE 283 N -0.03 0.30 0.28 2.20 0.04 -0.34 0.19 116.94 119.58 1qxl h PHE 283 Ca 0.27 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 1qxl h PHE 283 Cb 0.43 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1qxl h PHE 283 CO -0.48 0.44 -0.14 -0.22 -0.60 0.00 0.00 178.31 177.31 1qxl h LYS 284 N 0.26 -0.36 -0.59 1.51 3.64 0.53 0.12 116.57 121.67 1qxl h LYS 284 Ca 0.05 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.54 1qxl h LYS 284 Cb 0.45 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1qxl h LYS 284 CO 0.03 -0.06 0.40 -0.91 -2.27 0.00 0.00 179.45 176.63 1qxl h ASN 285 N -0.68 0.41 -0.22 4.20 -0.26 0.59 -1.43 115.58 118.19 1qxl h ASN 285 Ca -0.04 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1qxl h ASN 285 Cb 0.47 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1qxl h ASN 285 CO 0.06 0.25 0.00 0.47 -1.06 0.00 0.00 177.43 177.16 1qxl n ASP 286 N -4.47 1.92 -2.97 5.81 8.00 0.63 -4.91 116.55 120.56 1qxl n ASP 286 Ca 0.09 -1.78 -0.21 0.00 0.71 0.00 0.00 54.79 53.61 1qxl n ASP 286 Cb 0.33 -0.14 0.01 0.00 -0.02 0.00 0.00 41.12 41.30 1qxl n ASP 286 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qxl n GLN 287 N 0.50 -3.63 -1.01 -1.24 1.13 -0.38 -4.94 117.38 107.80 1qxl n GLN 287 Ca 0.16 0.72 -0.31 0.00 -1.94 0.00 0.00 57.00 55.63 1qxl n GLN 287 Cb 0.36 -5.47 0.12 0.00 0.11 0.00 0.00 30.24 25.36 1qxl n GLN 287 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1qxl s VAL 288 N -2.99 2.77 -0.73 5.09 -7.23 0.29 -4.94 120.40 112.67 1qxl s VAL 288 Ca 0.25 0.25 -0.26 0.00 -1.81 0.00 0.00 61.98 60.42 1qxl s VAL 288 Cb -0.12 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 1qxl s VAL 288 CO 0.31 -0.33 1.79 0.21 -0.31 0.00 0.00 175.10 176.77 1qxl s ASN 289 N -3.08 5.42 0.11 4.85 3.04 -1.26 -4.86 114.94 119.16 1qxl s ASN 289 Ca 0.64 -0.13 -0.04 0.00 0.04 0.00 0.00 52.86 53.36 1qxl s ASN 289 Cb -0.20 -2.54 -0.03 0.00 -1.54 0.00 0.00 41.25 36.94 1qxl s ASN 289 CO 0.57 -2.36 0.10 -0.72 -3.04 0.00 0.00 177.10 171.65 1qxl s TYR 290 N 8.68 0.55 0.36 0.43 1.13 -1.26 -1.16 117.35 126.08 1qxl s TYR 290 Ca 0.63 -0.98 0.09 0.00 -1.41 0.00 0.00 57.07 55.39 1qxl s TYR 290 Cb -0.10 -0.30 -0.06 0.00 -1.10 0.00 0.00 41.96 40.40 1qxl s TYR 290 CO 0.13 -0.52 -0.04 -1.54 -2.51 0.00 0.00 175.55 171.07 1qxl s SER 291 N -2.96 3.92 -0.14 -0.18 1.04 -0.06 -4.52 113.70 110.80 1qxl s SER 291 Ca 0.14 -1.16 -0.01 0.00 0.48 0.00 0.00 55.95 55.40 1qxl s SER 291 Cb 0.06 -0.42 -0.02 0.00 0.10 0.00 0.00 66.02 65.75 1qxl s SER 291 CO -0.04 -0.27 -0.11 -0.76 0.98 0.00 0.00 173.24 173.04 1qxl s LEU 292 N -3.67 2.84 0.04 2.42 1.02 -1.26 -1.18 118.68 118.89 1qxl s LEU 292 Ca 0.34 -0.29 -0.10 0.00 0.02 0.00 0.00 54.13 54.10 1qxl s LEU 292 Cb 0.03 -1.65 0.01 0.00 0.02 0.00 0.00 46.19 44.59 1qxl s LEU 292 CO 0.18 0.16 0.22 0.20 0.02 0.00 0.00 176.35 177.12 1qxl s ASN 293 N 0.40 0.01 0.00 2.29 0.01 -0.28 -4.72 114.94 112.64 1qxl s ASN 293 Ca -0.09 -0.35 0.11 0.00 -0.71 0.00 0.00 52.86 51.83 1qxl s ASN 293 Cb -0.15 0.31 -0.04 0.00 0.41 0.00 0.00 41.25 41.77 1qxl s ASN 293 CO 0.05 -0.58 0.62 1.07 -1.51 0.00 0.00 177.10 176.75 1qxl n THR 294 N 0.61 0.00 0.00 1.60 5.66 -1.24 -4.25 114.28 116.66 1qxl n THR 294 Ca -0.19 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 1qxl n THR 294 Cb 0.59 1.09 0.00 0.00 -1.55 0.00 0.00 70.33 70.47 1qxl n THR 294 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1qxl n ASP 295 N -0.56 0.00 -3.26 1.09 2.03 -0.64 -4.17 116.55 111.04 1qxl n ASP 295 Ca 0.04 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.12 1qxl n ASP 295 Cb 0.22 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.54 1qxl n ASP 295 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1qxl n ASP 296 N 3.12 -0.89 -0.15 1.67 8.00 -1.26 -0.29 116.55 126.75 1qxl n ASP 296 Ca 0.00 -2.51 0.04 0.00 0.71 0.00 0.00 54.79 53.04 1qxl n ASP 296 Cb 0.00 -0.18 0.34 0.00 -0.02 0.00 0.00 41.12 41.26 1qxl n ASP 296 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1qxl h PRO 297 N 5.31 0.75 -0.06 -0.24 0.13 -1.66 0.28 132.00 136.51 1qxl h PRO 297 Ca 0.21 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 65.33 1qxl h PRO 297 Cb 0.94 -0.17 -0.06 0.00 0.13 0.00 0.00 31.00 31.84 1qxl h PRO 297 CO 0.33 0.50 -0.32 1.25 -0.23 0.00 0.00 178.00 179.52 1qxl h LEU 298 N 0.78 -0.99 -0.49 1.56 6.46 -1.05 -0.38 115.31 121.20 1qxl h LEU 298 Ca 0.27 0.14 -0.09 0.00 -0.12 0.00 0.00 57.88 58.08 1qxl h LEU 298 Cb 0.10 0.41 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 1qxl h LEU 298 CO -0.08 -0.37 -0.04 0.40 -0.62 0.00 0.00 178.44 177.73 1qxl h ILE 299 N -0.44 1.27 -0.08 4.05 2.04 -1.64 -3.18 117.51 119.53 1qxl h ILE 299 Ca 0.08 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1qxl h ILE 299 Cb 0.56 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1qxl h ILE 299 CO -0.31 0.39 0.00 0.49 0.00 0.00 0.00 178.15 178.73 1qxl n PHE 300 N -4.30 0.09 -2.37 1.37 3.72 0.06 -0.43 117.46 115.61 1qxl n PHE 300 Ca 0.01 -0.05 -0.05 0.00 -0.05 0.00 0.00 57.45 57.31 1qxl n PHE 300 Cb 0.34 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.89 1qxl n PHE 300 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1qxl n LYS 301 N 0.06 -0.92 -4.31 -1.08 4.81 -0.34 -4.80 118.16 111.58 1qxl n LYS 301 Ca 0.18 0.19 -0.19 0.00 -0.87 0.00 0.00 58.31 57.62 1qxl n LYS 301 Cb 0.30 -3.61 -0.09 0.00 0.02 0.00 0.00 35.03 31.64 1qxl n LYS 301 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1qxl s SER 302 N -2.92 1.53 0.14 3.14 1.04 -0.30 -5.06 113.70 111.27 1qxl s SER 302 Ca 0.05 -1.63 0.01 0.00 0.48 0.00 0.00 55.95 54.86 1qxl s SER 302 Cb -0.02 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1qxl s SER 302 CO 0.07 -0.96 0.00 -0.89 0.98 0.00 0.00 173.24 172.44 1qxl s THR 303 N -3.58 0.50 0.36 2.02 2.01 -1.26 -4.69 115.64 110.99 1qxl s THR 303 Ca 0.37 -1.94 0.16 0.00 0.31 0.00 0.00 61.69 60.59 1qxl s THR 303 Cb 0.04 -1.98 0.36 0.00 0.01 0.00 0.00 72.50 70.92 1qxl s THR 303 CO 0.21 -0.58 1.70 -0.07 -0.69 0.00 0.00 174.62 175.19 1qxl h LEU 304 N 2.82 0.51 -1.80 4.42 3.38 -1.97 0.44 115.31 123.11 1qxl h LEU 304 Ca -0.36 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1qxl h LEU 304 Cb 1.19 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1qxl h LEU 304 CO 0.62 -0.03 -0.12 -0.78 0.09 0.00 0.00 178.44 178.22 1qxl h ASP 305 N 0.37 0.00 -0.38 -0.43 1.82 -1.95 0.65 116.42 116.49 1qxl h ASP 305 Ca 0.69 0.00 0.08 0.00 -0.39 0.00 0.00 57.03 57.42 1qxl h ASP 305 Cb 1.64 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 41.57 1qxl h ASP 305 CO -0.48 0.12 -0.17 0.74 -1.61 0.00 0.00 179.24 177.84 1qxl h THR 306 N 0.00 0.47 -0.77 2.25 2.02 -1.29 0.28 112.91 115.88 1qxl h THR 306 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1qxl h THR 306 Cb 0.40 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 1qxl h THR 306 CO 0.02 0.00 0.47 0.44 0.37 0.00 0.00 175.52 176.82 1qxl h ASP 307 N -0.10 0.91 0.42 4.18 5.19 -0.92 -1.88 116.42 124.21 1qxl h ASP 307 Ca 0.19 -0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.45 1qxl h ASP 307 Cb 0.39 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 1qxl h ASP 307 CO -0.45 0.69 -0.49 1.88 -3.12 0.00 0.00 179.24 177.75 1qxl h TYR 308 N 1.05 0.10 0.00 4.55 -1.99 -0.73 -0.89 116.97 119.06 1qxl h TYR 308 Ca 0.28 -0.03 -0.17 0.00 2.00 0.00 0.00 58.73 60.81 1qxl h TYR 308 Cb -0.06 -0.02 0.01 0.00 2.00 0.00 0.00 36.73 38.66 1qxl h TYR 308 CO 0.00 0.55 -0.65 1.96 -0.00 0.00 0.00 178.16 180.03 1qxl h GLN 309 N 0.06 0.43 -0.70 4.88 1.08 0.09 -0.96 115.11 120.00 1qxl h GLN 309 Ca 0.00 -0.47 0.08 0.00 -1.45 0.00 0.00 58.65 56.81 1qxl h GLN 309 Cb 0.89 0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 28.39 1qxl h GLN 309 CO 0.07 1.13 0.37 1.98 -0.95 0.00 0.00 178.83 181.43 1qxl h MET 310 N -0.07 0.64 -0.06 1.46 4.05 -1.40 0.62 114.93 120.17 1qxl h MET 310 Ca -0.08 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.19 1qxl h MET 310 Cb 1.36 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 1qxl h MET 310 CO 0.13 0.43 -0.47 1.79 0.23 0.00 0.00 176.91 179.01 1qxl h THR 311 N 0.66 1.34 0.00 -0.77 1.35 -1.09 0.25 112.91 114.65 1qxl h THR 311 Ca 0.33 -1.66 -0.20 0.00 -0.55 0.00 0.00 66.41 64.32 1qxl h THR 311 Cb 0.28 1.83 -0.03 0.00 -1.73 0.00 0.00 68.15 68.49 1qxl h THR 311 CO -0.22 0.49 -1.26 0.50 -0.25 0.00 0.00 175.52 174.78 1qxl h LYS 312 N 0.12 0.00 0.00 4.72 3.64 -0.70 -1.87 116.57 122.48 1qxl h LYS 312 Ca 0.01 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1qxl h LYS 312 Cb 0.88 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1qxl h LYS 312 CO 0.07 0.55 -0.41 0.87 -2.27 0.00 0.00 179.45 178.25 1qxl h LYS 313 N 0.00 0.00 -0.01 1.90 6.56 0.16 -3.30 116.57 121.88 1qxl h LYS 313 Ca -0.14 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.45 1qxl h LYS 313 Cb 1.72 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.38 1qxl h LYS 313 CO 0.08 0.74 -0.05 -0.25 -2.06 0.00 0.00 179.45 177.91 1qxl n ASP 314 N -4.59 1.20 -0.54 0.86 9.92 0.07 -4.23 116.55 119.25 1qxl n ASP 314 Ca -0.14 -1.29 0.00 0.00 -0.53 0.00 0.00 54.79 52.83 1qxl n ASP 314 Cb 0.44 0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 1qxl n ASP 314 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1qxl n MET 315 N -0.15 0.00 -2.96 -1.24 2.81 -1.17 -5.03 117.12 109.37 1qxl n MET 315 Ca 0.18 -1.04 -0.16 0.00 -1.81 0.00 0.00 57.70 54.88 1qxl n MET 315 Cb 0.32 -0.48 -0.01 0.00 -0.71 0.00 0.00 33.22 32.35 1qxl n MET 315 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qxl n GLY 316 N 0.02 -0.49 3.75 3.03 0.00 -1.20 -4.91 105.19 105.40 1qxl n GLY 316 Ca 0.00 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1qxl n GLY 316 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qxl s PHE 317 N -2.63 2.41 0.36 1.61 0.40 -0.71 -5.00 117.98 114.42 1qxl s PHE 317 Ca 0.21 1.53 0.06 0.00 -0.60 0.00 0.00 56.93 58.13 1qxl s PHE 317 Cb -0.12 -3.45 -0.07 0.00 0.51 0.00 0.00 43.02 39.90 1qxl s PHE 317 CO 0.26 -2.15 0.01 0.95 0.70 0.00 0.00 175.22 175.00 1qxl s THR 318 N -1.68 1.69 0.59 0.64 -4.23 -1.26 -4.60 115.64 106.79 1qxl s THR 318 Ca 0.76 -2.03 0.29 0.00 -1.18 0.00 0.00 61.69 59.54 1qxl s THR 318 Cb -0.29 -2.84 0.39 0.00 1.34 0.00 0.00 72.50 71.10 1qxl s THR 318 CO 0.34 -0.05 1.83 -0.33 -0.54 0.00 0.00 174.62 175.87 1qxl h GLU 319 N 1.97 0.00 -0.11 3.99 3.07 -1.95 -1.63 114.58 119.91 1qxl h GLU 319 Ca -0.42 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.22 1qxl h GLU 319 Cb 1.24 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.16 1qxl h GLU 319 CO 0.75 0.00 -0.80 0.93 -1.40 0.00 0.00 179.01 178.48 1qxl h GLU 320 N 0.00 0.66 -0.10 2.33 4.39 -2.01 -2.14 114.58 117.71 1qxl h GLU 320 Ca 0.26 -0.56 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 1qxl h GLU 320 Cb 1.42 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 30.19 1qxl h GLU 320 CO -0.00 1.18 0.06 1.49 -1.16 0.00 0.00 179.01 180.57 1qxl h GLU 321 N 0.44 0.14 -0.99 2.33 4.57 -1.73 -1.64 114.58 117.70 1qxl h GLU 321 Ca -0.06 -0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.26 1qxl h GLU 321 Cb 1.42 -0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 29.89 1qxl h GLU 321 CO 0.16 0.14 0.60 0.74 -1.18 0.00 0.00 179.01 179.47 1qxl h PHE 322 N 0.09 1.08 -0.17 0.92 0.05 -1.45 0.23 116.94 117.69 1qxl h PHE 322 Ca 0.04 0.03 -0.12 0.00 3.82 0.00 0.00 57.97 61.74 1qxl h PHE 322 Cb 0.04 -0.33 0.00 0.00 2.00 0.00 0.00 35.95 37.66 1qxl h PHE 322 CO -0.05 0.35 -0.38 0.87 -0.18 0.00 0.00 178.31 178.92 1qxl h LYS 323 N 0.88 0.56 0.00 1.51 1.57 -1.10 -2.70 116.57 117.29 1qxl h LYS 323 Ca 0.52 -0.37 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1qxl h LYS 323 Cb 0.64 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1qxl h LYS 323 CO -0.31 0.99 -0.20 0.07 -0.57 0.00 0.00 179.45 179.42 1qxl h ARG 324 N 0.21 0.00 -0.06 3.15 0.11 -0.96 0.17 114.38 117.00 1qxl h ARG 324 Ca 0.00 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.93 1qxl h ARG 324 Cb 0.98 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.05 1qxl h ARG 324 CO 0.08 0.20 -0.64 1.25 0.10 0.00 0.00 179.97 180.97 1qxl h LEU 325 N 0.00 0.27 -0.86 0.08 6.46 -0.52 1.00 115.31 121.73 1qxl h LEU 325 Ca -0.00 -0.16 -0.10 0.00 -0.12 0.00 0.00 57.88 57.50 1qxl h LEU 325 Cb 0.37 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1qxl h LEU 325 CO 0.03 0.83 -0.47 0.78 -0.62 0.00 0.00 178.44 178.98 1qxl h ASN 326 N 0.17 0.00 -0.07 1.25 4.21 -1.13 -0.17 115.58 119.84 1qxl h ASN 326 Ca -0.01 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 1qxl h ASN 326 Cb 1.16 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.35 1qxl h ASN 326 CO 0.10 0.47 -0.01 0.40 -1.29 0.00 0.00 177.43 177.10 1qxl h ILE 327 N 0.00 1.28 -0.68 2.81 1.08 -0.66 -2.34 117.51 119.01 1qxl h ILE 327 Ca -0.00 -0.89 0.14 0.00 -0.39 0.00 0.00 64.86 63.72 1qxl h ILE 327 Cb 0.98 1.74 -0.10 0.00 -3.07 0.00 0.00 36.82 36.37 1qxl h ILE 327 CO 0.06 0.24 0.13 0.78 -0.69 0.00 0.00 178.15 178.67 1qxl h ASN 328 N -0.20 -0.05 -0.75 1.72 2.35 -0.69 -0.65 115.58 117.31 1qxl h ASN 328 Ca 0.02 0.14 0.14 0.00 -0.55 0.00 0.00 56.30 56.05 1qxl h ASN 328 Cb 0.39 0.20 -0.09 0.00 0.05 0.00 0.00 38.32 38.87 1qxl h ASN 328 CO 0.01 -0.04 0.30 0.00 -1.65 0.00 0.00 177.43 176.05 1qxl h ALA 329 N 1.57 1.06 -0.47 -0.83 0.00 -0.99 -0.02 119.26 119.58 1qxl h ALA 329 Ca 0.37 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.29 1qxl h ALA 329 Cb 0.60 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1qxl h ALA 329 CO -0.49 -0.21 -0.12 0.00 0.00 0.00 0.00 179.25 178.44 1qxl h ALA 330 N 1.55 0.65 -0.35 0.00 0.00 -0.88 0.12 119.26 120.34 1qxl h ALA 330 Ca 0.41 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1qxl h ALA 330 Cb 0.62 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1qxl h ALA 330 CO -0.40 0.56 0.08 0.87 0.00 0.00 0.00 179.25 180.36 1qxl h LYS 331 N 0.76 0.51 -0.29 0.00 1.57 -0.61 -2.05 116.57 116.45 1qxl h LYS 331 Ca 0.12 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1qxl h LYS 331 Cb 0.67 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1qxl h LYS 331 CO 0.05 0.48 0.00 0.43 -0.57 0.00 0.00 179.45 179.83 1qxl n SER 332 N -4.34 2.96 -4.52 0.86 7.64 -0.07 -4.94 113.62 111.21 1qxl n SER 332 Ca 0.02 -1.92 -0.30 0.00 1.01 0.00 0.00 58.87 57.67 1qxl n SER 332 Cb 0.18 -0.18 0.20 0.00 -1.01 0.00 0.00 64.21 63.40 1qxl n SER 332 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1qxl n SER 333 N 1.19 -1.03 -1.77 6.43 3.41 0.40 -4.91 113.62 117.33 1qxl n SER 333 Ca 0.18 0.13 -0.13 0.00 -0.26 0.00 0.00 58.87 58.79 1qxl n SER 333 Cb 0.54 -1.31 0.15 0.00 -0.26 0.00 0.00 64.21 63.33 1qxl n SER 333 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1qxl n PHE 334 N -4.50 1.99 -2.31 7.33 3.72 -1.26 -4.96 117.46 117.46 1qxl n PHE 334 Ca 0.07 -1.27 -0.33 0.00 -0.05 0.00 0.00 57.45 55.87 1qxl n PHE 334 Cb 0.54 -0.67 -0.01 0.00 -0.94 0.00 0.00 39.48 38.40 1qxl n PHE 334 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1qxl s LEU 335 N -2.19 3.68 0.54 4.37 2.01 -1.26 -4.94 118.68 120.90 1qxl s LEU 335 Ca 0.39 1.87 -0.20 0.00 0.01 0.00 0.00 54.13 56.19 1qxl s LEU 335 Cb 0.32 -4.55 -0.07 0.00 0.01 0.00 0.00 46.19 41.91 1qxl s LEU 335 CO 0.08 -0.95 0.96 -2.65 1.01 0.00 0.00 176.35 174.81 1qxl n PRO 336 N -1.47 1.05 -0.16 1.29 -0.02 -1.26 -4.67 135.00 129.77 1qxl n PRO 336 Ca 0.09 0.40 0.24 0.00 -2.02 0.00 0.00 63.50 62.20 1qxl n PRO 336 Cb 0.53 -2.12 0.65 0.00 -0.02 0.00 0.00 33.50 32.54 1qxl n PRO 336 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1qxl h GLU 337 N 0.84 0.13 0.02 -0.52 4.39 -1.98 -0.89 114.58 116.56 1qxl h GLU 337 Ca -0.47 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.22 1qxl h GLU 337 Cb 1.35 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1qxl h GLU 337 CO 0.53 0.08 -0.01 0.38 -1.16 0.00 0.00 179.01 178.83 1qxl h ASP 338 N 0.13 -0.02 0.42 1.42 2.03 -2.02 -2.26 116.42 116.13 1qxl h ASP 338 Ca 0.40 -0.49 -0.01 0.00 -0.73 0.00 0.00 57.03 56.20 1qxl h ASP 338 Cb 1.37 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.87 1qxl h ASP 338 CO -0.06 0.48 -0.03 -0.33 -1.03 0.00 0.00 179.24 178.28 1qxl h GLU 339 N -0.52 0.00 -0.09 4.15 5.08 -1.78 -1.51 114.58 119.90 1qxl h GLU 339 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1qxl h GLU 339 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1qxl h GLU 339 CO 0.00 0.03 -0.62 -0.22 -1.00 0.00 0.00 179.01 177.20 1qxl h LYS 340 N 0.00 0.34 -0.33 2.33 3.64 -1.08 -1.85 116.57 119.62 1qxl h LYS 340 Ca -0.00 -0.24 -0.11 0.00 -1.27 0.00 0.00 60.65 59.03 1qxl h LYS 340 Cb 0.25 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1qxl h LYS 340 CO 0.00 0.86 -0.24 0.87 -2.27 0.00 0.00 179.45 178.66 1qxl h LYS 341 N 0.25 0.65 -0.73 1.90 1.79 -0.66 -0.79 116.57 118.98 1qxl h LYS 341 Ca -0.01 -0.26 -0.05 0.00 -2.18 0.00 0.00 60.65 58.15 1qxl h LYS 341 Cb 1.15 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.74 1qxl h LYS 341 CO 0.10 0.84 0.26 0.93 -1.08 0.00 0.00 179.45 180.50 1qxl h GLU 342 N 0.57 1.11 -0.08 3.15 5.08 -1.54 0.44 114.58 123.31 1qxl h GLU 342 Ca 0.08 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1qxl h GLU 342 Cb 0.72 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1qxl h GLU 342 CO 0.06 0.93 0.02 1.25 -1.00 0.00 0.00 179.01 180.26 1qxl h LEU 343 N 1.07 0.01 -0.84 1.33 5.85 -1.18 -0.92 115.31 120.63 1qxl h LEU 343 Ca 0.24 0.01 0.15 0.00 0.84 0.00 0.00 57.88 59.12 1qxl h LEU 343 Cb 0.26 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.20 1qxl h LEU 343 CO -0.01 0.02 0.41 -0.07 -0.34 0.00 0.00 178.44 178.44 1qxl h LEU 344 N 0.05 0.47 -0.17 2.25 -0.00 -0.63 -1.96 115.31 115.32 1qxl h LEU 344 Ca 0.03 0.10 -0.04 0.00 -0.00 0.00 0.00 57.88 57.97 1qxl h LEU 344 Cb 0.03 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1qxl h LEU 344 CO -0.04 0.19 -0.06 0.44 -0.00 0.00 0.00 178.44 178.96 1qxl h ASP 345 N 0.58 0.35 -0.82 -0.43 3.45 -0.49 -1.01 116.42 118.05 1qxl h ASP 345 Ca 0.46 -0.39 0.19 0.00 0.43 0.00 0.00 57.03 57.72 1qxl h ASP 345 Cb 0.68 -0.10 -0.15 0.00 -0.56 0.00 0.00 39.33 39.20 1qxl h ASP 345 CO -0.38 0.66 -0.06 0.25 -1.57 0.00 0.00 179.24 178.15 1qxl h LEU 346 N 0.04 -0.50 -0.22 1.55 7.12 -0.88 -1.46 115.31 120.96 1qxl h LEU 346 Ca 0.04 0.23 -0.21 0.00 0.13 0.00 0.00 57.88 58.07 1qxl h LEU 346 Cb 0.52 0.42 0.01 0.00 -0.53 0.00 0.00 40.66 41.08 1qxl h LEU 346 CO 0.02 -0.24 -0.74 -0.07 -0.13 0.00 0.00 178.44 177.28 1qxl h LEU 347 N 0.05 0.89 -0.25 2.25 -0.00 -0.51 -1.14 115.31 116.60 1qxl h LEU 347 Ca 0.44 -0.56 0.05 0.00 -0.00 0.00 0.00 57.88 57.81 1qxl h LEU 347 Cb 0.79 -0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 41.13 1qxl h LEU 347 CO -0.77 1.36 -0.09 1.88 -0.00 0.00 0.00 178.44 180.81 1qxl h TYR 348 N 0.52 -0.22 -0.38 1.13 0.99 -0.88 0.70 116.97 118.83 1qxl h TYR 348 Ca -0.04 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.76 1qxl h TYR 348 Cb 1.36 0.14 -0.02 0.00 1.00 0.00 0.00 36.73 39.20 1qxl h TYR 348 CO 0.08 -0.15 0.25 0.87 -0.00 0.00 0.00 178.16 179.21 1qxl h LYS 349 N -0.05 0.33 -0.00 4.88 1.57 -1.11 0.22 116.57 122.41 1qxl h LYS 349 Ca 0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1qxl h LYS 349 Cb 0.24 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1qxl h LYS 349 CO -0.29 0.22 -0.66 0.00 -0.57 0.00 0.00 179.45 178.15 1qxl n ALA 350 N -2.52 3.97 1.02 3.86 0.00 -0.45 -4.06 120.51 122.34 1qxl n ALA 350 Ca 0.04 -0.48 0.12 0.00 0.00 0.00 0.00 53.44 53.12 1qxl n ALA 350 Cb 0.20 -0.95 0.25 0.00 0.00 0.00 0.00 19.45 18.95 1qxl n ALA 350 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qxl n TYR 351 N -1.24 0.00 -1.23 0.00 0.53 0.24 -4.93 117.16 110.53 1qxl n TYR 351 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.94 1qxl n TYR 351 Cb 0.35 -0.23 0.00 0.00 -1.03 0.00 0.00 39.34 38.43 1qxl n TYR 351 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71