#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qut s HIS 2 N 0.00 2.99 0.16 0.54 3.76 -1.26 -5.10 115.29 116.39 2qut s HIS 2 Ca 0.00 -0.47 -0.30 0.00 -0.15 0.00 0.00 55.06 54.14 2qut s HIS 2 Cb 0.00 -2.00 -0.07 0.00 1.11 0.00 0.00 32.58 31.62 2qut s HIS 2 CO 0.00 -0.19 1.01 0.45 -0.85 0.00 0.00 174.74 175.17 2qut s SER 3 N 0.70 7.43 -0.48 1.40 0.15 -1.26 -5.00 113.70 116.63 2qut s SER 3 Ca -0.02 1.94 0.05 0.00 0.70 0.00 0.00 55.95 58.62 2qut s SER 3 Cb -0.14 -2.60 0.20 0.00 -1.71 0.00 0.00 66.02 61.77 2qut s SER 3 CO 0.02 -0.09 0.46 1.41 1.20 0.00 0.00 173.24 176.24 2qut n HIS 4 N 2.40 0.43 -0.66 3.44 8.25 -1.26 -5.09 115.22 122.74 2qut n HIS 4 Ca 0.02 -3.64 -0.28 0.00 -0.26 0.00 0.00 57.72 53.56 2qut n HIS 4 Cb 0.48 -0.13 -0.05 0.00 1.12 0.00 0.00 29.99 31.40 2qut n HIS 4 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2qut n PRO 5 N 2.12 0.00 0.11 -0.41 -0.02 -1.26 -4.83 135.00 130.71 2qut n PRO 5 Ca 0.26 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.73 2qut n PRO 5 Cb 0.46 -0.65 0.00 0.00 -0.02 0.00 0.00 33.50 33.29 2qut n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qut h ALA 6 N 2.97 0.59 -3.52 3.55 0.00 -1.99 -3.45 119.26 117.40 2qut h ALA 6 Ca -0.12 -0.64 -0.38 0.00 0.00 0.00 0.00 54.91 53.78 2qut h ALA 6 Cb 0.60 -0.11 -0.23 0.00 0.00 0.00 0.00 17.79 18.05 2qut h ALA 6 CO 0.45 0.87 -0.77 -0.51 0.00 0.00 0.00 179.25 179.29 2qut s LEU 7 N -6.68 2.20 0.58 0.00 1.43 -1.26 -4.95 118.68 110.01 2qut s LEU 7 Ca 0.02 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 52.59 2qut s LEU 7 Cb 0.09 -0.42 0.02 0.00 0.03 0.00 0.00 46.19 45.91 2qut s LEU 7 CO 0.77 -0.06 0.87 0.42 0.23 0.00 0.00 176.35 178.58 2qut s THR 8 N -1.03 3.34 0.37 5.49 -4.23 -1.26 -4.88 115.64 113.45 2qut s THR 8 Ca -0.03 -0.21 0.05 0.00 -1.18 0.00 0.00 61.69 60.33 2qut s THR 8 Cb -0.08 -3.32 0.28 0.00 1.34 0.00 0.00 72.50 70.71 2qut s THR 8 CO 0.01 -0.30 2.00 -0.65 -0.54 0.00 0.00 174.62 175.14 2qut h PRO 9 N -0.13 0.70 -0.52 3.99 0.11 -2.01 -0.64 132.00 133.50 2qut h PRO 9 Ca -0.45 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2qut h PRO 9 Cb 1.27 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2qut h PRO 9 CO 0.59 0.46 0.09 0.93 -0.21 0.00 0.00 178.00 179.86 2qut h GLU 10 N 0.72 0.85 -0.48 1.05 3.07 -2.00 -1.42 114.58 116.38 2qut h GLU 10 Ca 0.25 -0.22 -0.09 0.00 -0.50 0.00 0.00 59.36 58.79 2qut h GLU 10 Cb 0.09 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 2qut h GLU 10 CO -0.07 0.83 -0.07 1.96 -1.40 0.00 0.00 179.01 180.26 2qut h GLN 11 N 0.73 0.89 -0.45 2.33 4.20 -1.71 -2.44 115.11 118.66 2qut h GLN 11 Ca 0.16 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2qut h GLN 11 Cb 0.39 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 2qut h GLN 11 CO 0.01 0.96 0.29 0.87 -0.67 0.00 0.00 178.83 180.30 2qut h LYS 12 N 0.74 0.59 -0.36 1.46 1.57 -1.00 -2.10 116.57 117.48 2qut h LYS 12 Ca 0.13 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 2qut h LYS 12 Cb 0.61 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 2qut h LYS 12 CO 0.04 0.40 0.11 -0.22 -0.57 0.00 0.00 179.45 179.21 2qut h LYS 13 N 0.61 0.24 -0.20 3.15 3.64 -1.12 0.17 116.57 123.05 2qut h LYS 13 Ca 0.16 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 2qut h LYS 13 Cb -0.06 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 2qut h LYS 13 CO -0.03 0.16 0.05 1.49 -2.27 0.00 0.00 179.45 178.84 2qut h GLU 14 N 0.25 0.13 -0.37 1.90 4.81 -1.15 0.14 114.58 120.29 2qut h GLU 14 Ca 0.16 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2qut h GLU 14 Cb 0.16 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2qut h GLU 14 CO -0.18 0.08 0.13 -0.07 -0.73 0.00 0.00 179.01 178.24 2qut h LEU 15 N 0.13 0.53 -0.33 1.64 3.38 -1.01 -1.10 115.31 118.55 2qut h LEU 15 Ca 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2qut h LEU 15 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2qut h LEU 15 CO -0.12 0.57 0.16 -1.28 0.09 0.00 0.00 178.44 177.86 2qut h SER 16 N 0.45 0.43 -0.51 -0.43 0.87 -0.43 -0.59 113.55 113.34 2qut h SER 16 Ca 0.12 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2qut h SER 16 Cb 0.22 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 2qut h SER 16 CO -0.01 0.43 0.32 0.44 -0.53 0.00 0.00 176.83 177.49 2qut h ASP 17 N 0.39 0.60 -0.11 6.23 3.32 -0.61 -1.34 116.42 124.89 2qut h ASP 17 Ca 0.11 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.14 2qut h ASP 17 Cb 0.12 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2qut h ASP 17 CO -0.01 0.46 0.03 0.40 -1.72 0.00 0.00 179.24 178.40 2qut h ILE 18 N 0.69 0.97 -0.95 0.35 2.04 -0.97 -1.73 117.51 117.91 2qut h ILE 18 Ca 0.19 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 66.02 2qut h ILE 18 Cb -0.05 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 2qut h ILE 18 CO -0.04 0.02 0.62 0.00 0.00 0.00 0.00 178.15 178.75 2qut h ALA 19 N 1.07 1.20 -0.35 1.87 0.00 -0.80 -2.52 119.26 119.74 2qut h ALA 19 Ca 0.05 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2qut h ALA 19 Cb 0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 2qut h ALA 19 CO -0.05 0.61 -0.29 0.45 0.00 0.00 0.00 179.25 179.96 2qut h HIS 20 N 1.29 0.85 -0.81 0.00 3.86 -1.07 -3.00 115.15 116.27 2qut h HIS 20 Ca 0.35 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 2qut h HIS 20 Cb -0.14 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.10 2qut h HIS 20 CO -0.00 0.94 0.48 0.00 0.86 0.00 0.00 177.93 180.22 2qut h ARG 21 N 0.63 1.10 -0.84 2.45 3.08 -0.93 -0.46 114.38 119.41 2qut h ARG 21 Ca 0.07 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2qut h ARG 21 Cb 0.81 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 2qut h ARG 21 CO 0.07 0.78 0.47 0.82 -1.07 0.00 0.00 179.97 181.04 2qut h ILE 22 N 1.11 1.24 -0.49 2.04 2.04 -1.33 -3.03 117.51 119.10 2qut h ILE 22 Ca 0.29 -0.59 -0.21 0.00 1.00 0.00 0.00 64.86 65.35 2qut h ILE 22 Cb -0.03 0.11 -0.12 0.00 -0.74 0.00 0.00 36.82 36.03 2qut h ILE 22 CO -0.05 0.27 0.10 1.33 0.00 0.00 0.00 178.15 179.80 2qut n VAL 23 N -4.40 2.66 -1.41 1.67 0.24 -1.08 -4.14 118.33 111.87 2qut n VAL 23 Ca 0.08 -2.30 -0.37 0.00 -2.04 0.00 0.00 64.34 59.71 2qut n VAL 23 Cb 0.09 -0.34 0.06 0.00 -1.47 0.00 0.00 33.84 32.18 2qut n VAL 23 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qut n ALA 24 N -0.89 -0.72 -1.54 2.33 0.00 -0.20 -4.71 120.51 114.77 2qut n ALA 24 Ca 0.36 -0.13 -0.52 0.00 0.00 0.00 0.00 53.44 53.16 2qut n ALA 24 Cb 1.16 -1.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.58 2qut n ALA 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2qut n PRO 25 N -0.96 0.79 -0.22 0.00 -0.04 -1.26 -0.64 135.00 132.66 2qut n PRO 25 Ca 0.12 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2qut n PRO 25 Cb 0.49 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 2qut n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qut n GLY 26 N 1.99 2.46 3.91 0.55 0.00 -1.26 -5.01 105.19 107.83 2qut n GLY 26 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2qut n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qut s LYS 27 N -0.01 3.38 0.11 1.61 1.02 0.19 -4.47 119.74 121.57 2qut s LYS 27 Ca 0.00 -0.50 0.02 0.00 0.02 0.00 0.00 55.97 55.51 2qut s LYS 27 Cb 0.00 -2.99 -0.01 0.00 -0.52 0.00 0.00 37.83 34.31 2qut s LYS 27 CO 0.00 0.59 0.11 0.41 -0.92 0.00 0.00 175.35 175.53 2qut n GLY 28 N 0.14 3.51 3.39 -3.33 0.00 0.50 -4.62 105.19 104.77 2qut n GLY 28 Ca -0.06 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 2qut n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qut s ILE 29 N -2.47 2.72 -0.29 -0.61 1.01 0.16 0.36 121.20 122.08 2qut s ILE 29 Ca 0.13 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 59.81 2qut s ILE 29 Cb 0.00 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 2qut s ILE 29 CO 0.09 0.57 0.29 -0.22 0.00 0.00 0.00 174.94 175.68 2qut s LEU 30 N -0.36 4.15 -0.70 2.97 2.96 -0.47 -2.06 118.68 125.17 2qut s LEU 30 Ca 0.03 0.02 -0.16 0.00 -0.22 0.00 0.00 54.13 53.80 2qut s LEU 30 Cb -0.12 -2.28 0.16 0.00 0.50 0.00 0.00 46.19 44.45 2qut s LEU 30 CO 0.02 -0.17 0.69 0.00 -1.32 0.00 0.00 176.35 175.57 2qut s ALA 31 N 1.92 3.77 -0.35 5.97 0.00 0.11 -0.77 121.76 132.41 2qut s ALA 31 Ca 0.11 -2.84 0.06 0.00 0.00 0.00 0.00 51.96 49.29 2qut s ALA 31 Cb -0.16 -3.48 0.49 0.00 0.00 0.00 0.00 23.12 19.97 2qut s ALA 31 CO 0.11 -2.26 1.48 0.00 0.00 0.00 0.00 175.76 175.09 2qut n ALA 32 N 4.99 4.85 -0.19 0.00 0.00 -0.40 -4.16 120.51 125.60 2qut n ALA 32 Ca 0.01 -3.38 -0.05 0.00 0.00 0.00 0.00 53.44 50.02 2qut n ALA 32 Cb 0.44 -0.79 0.17 0.00 0.00 0.00 0.00 19.45 19.26 2qut n ALA 32 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qut n ASP 33 N -0.99 3.58 -4.73 0.00 5.75 -0.99 -4.16 116.55 115.01 2qut n ASP 33 Ca 0.41 -2.74 -0.42 0.00 -0.01 0.00 0.00 54.79 52.03 2qut n ASP 33 Cb 0.97 -0.65 -0.02 0.00 -1.03 0.00 0.00 41.12 40.38 2qut n ASP 33 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2qut s GLU 34 N -1.95 4.14 1.07 0.11 8.01 -1.26 -4.50 118.70 124.31 2qut s GLU 34 Ca 0.32 2.56 -0.15 0.00 0.01 0.00 0.00 54.97 57.71 2qut s GLU 34 Cb 0.26 -3.06 0.22 0.00 -4.31 0.00 0.00 34.13 27.24 2qut s GLU 34 CO 0.08 -0.67 1.10 -1.54 0.01 0.00 0.00 175.26 174.24 2qut s SER 35 N 0.83 2.05 0.19 -0.19 1.04 -1.26 -4.53 113.70 111.82 2qut s SER 35 Ca 0.68 0.98 -0.12 0.00 0.48 0.00 0.00 55.95 57.97 2qut s SER 35 Cb -0.48 -1.51 0.17 0.00 0.10 0.00 0.00 66.02 64.30 2qut s SER 35 CO 0.40 -3.47 1.77 0.74 0.98 0.00 0.00 173.24 173.66 2qut h THR 36 N -2.13 0.90 0.00 2.02 2.02 -1.99 0.19 112.91 113.93 2qut h THR 36 Ca -0.52 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.50 2qut h THR 36 Cb 1.32 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2qut h THR 36 CO 0.51 0.09 0.00 1.23 0.37 0.00 0.00 175.52 177.71 2qut h GLY 37 N 0.47 0.00 0.11 2.16 0.00 -2.00 -2.52 103.07 101.29 2qut h GLY 37 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.44 2qut h GLY 37 CO -0.20 0.00 -0.72 0.23 0.00 0.00 0.00 176.54 175.85 2qut h SER 38 N 0.00 0.07 0.38 0.19 0.87 -1.57 -3.33 113.55 110.16 2qut h SER 38 Ca 0.00 -0.79 -0.06 0.00 -1.23 0.00 0.00 61.79 59.71 2qut h SER 38 Cb 0.70 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 2qut h SER 38 CO 0.00 1.29 -0.30 -0.29 -0.53 0.00 0.00 176.83 177.00 2qut h ILE 39 N -0.88 1.11 -0.87 2.23 6.09 -0.76 -2.38 117.51 122.06 2qut h ILE 39 Ca -0.18 -1.07 0.09 0.00 -1.37 0.00 0.00 64.86 62.32 2qut h ILE 39 Cb 1.25 1.60 -0.06 0.00 0.47 0.00 0.00 36.82 40.08 2qut h ILE 39 CO -0.07 0.30 0.56 0.00 -3.07 0.00 0.00 178.15 175.87 2qut h ALA 40 N 1.70 1.65 -0.60 0.18 0.00 -1.58 0.11 119.26 120.72 2qut h ALA 40 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2qut h ALA 40 Cb 0.57 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2qut h ALA 40 CO 0.04 0.18 0.19 0.87 0.00 0.00 0.00 179.25 180.53 2qut h LYS 41 N 0.86 0.93 -0.04 0.00 1.57 -1.54 0.07 116.57 118.42 2qut h LYS 41 Ca 0.40 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2qut h LYS 41 Cb 0.39 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2qut h LYS 41 CO -0.16 0.83 0.01 0.00 -0.57 0.00 0.00 179.45 179.55 2qut h ARG 42 N 0.85 0.07 0.00 3.15 2.47 -1.04 -2.42 114.38 117.46 2qut h ARG 42 Ca 0.19 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.86 2qut h ARG 42 Cb 0.28 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.59 2qut h ARG 42 CO -0.01 0.27 -0.16 -0.07 0.56 0.00 0.00 179.97 180.56 2qut h LEU 43 N -0.15 0.00 -0.76 3.04 3.38 -0.76 -2.13 115.31 117.92 2qut h LEU 43 Ca 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2qut h LEU 43 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2qut h LEU 43 CO 0.00 0.16 -0.54 -0.61 0.09 0.00 0.00 178.44 177.55 2qut h GLN 44 N 0.00 0.23 0.00 1.13 4.15 -0.67 0.48 115.11 120.43 2qut h GLN 44 Ca -0.00 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.28 2qut h GLN 44 Cb 0.36 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.07 2qut h GLN 44 CO 0.02 0.71 0.00 -1.13 -1.93 0.00 0.00 178.83 176.50 2qut n SER 45 N -3.92 0.00 -1.29 -0.69 3.41 -0.80 -2.73 113.62 107.59 2qut n SER 45 Ca -0.02 -0.77 0.04 0.00 -0.26 0.00 0.00 58.87 57.86 2qut n SER 45 Cb 0.57 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.59 2qut n SER 45 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2qut n ILE 46 N -0.95 0.72 -2.38 -1.33 -5.35 -1.01 -4.99 119.36 104.07 2qut n ILE 46 Ca 0.15 -1.77 -0.11 0.00 -0.27 0.00 0.00 62.75 60.76 2qut n ILE 46 Cb 0.07 0.62 -0.01 0.00 -1.74 0.00 0.00 39.64 38.58 2qut n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qut n GLY 47 N -0.03 -0.41 3.34 3.28 0.00 -1.10 -4.59 105.19 105.68 2qut n GLY 47 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2qut n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qut s THR 48 N -2.50 3.47 0.43 2.61 2.01 0.13 -5.02 115.64 116.77 2qut s THR 48 Ca 0.00 -0.47 -0.24 0.00 0.31 0.00 0.00 61.69 61.29 2qut s THR 48 Cb 0.00 -2.57 -0.08 0.00 0.01 0.00 0.00 72.50 69.86 2qut s THR 48 CO 0.00 0.43 1.21 -1.83 -0.69 0.00 0.00 174.62 173.74 2qut s GLU 49 N 1.34 3.85 -0.80 4.92 -1.05 -1.26 -3.68 118.70 122.03 2qut s GLU 49 Ca 0.04 1.92 -0.26 0.00 -0.15 0.00 0.00 54.97 56.52 2qut s GLU 49 Cb -0.14 -2.56 0.04 0.00 -0.44 0.00 0.00 34.13 31.02 2qut s GLU 49 CO -0.02 -0.51 1.29 1.21 0.95 0.00 0.00 175.26 178.19 2qut s ASN 50 N -1.12 6.24 0.22 0.83 2.47 -1.26 -4.82 114.94 117.50 2qut s ASN 50 Ca 0.60 -0.72 0.09 0.00 0.42 0.00 0.00 52.86 53.25 2qut s ASN 50 Cb -0.32 -2.55 -0.05 0.00 -1.45 0.00 0.00 41.25 36.88 2qut s ASN 50 CO 0.40 -1.73 -0.16 0.42 -3.72 0.00 0.00 177.10 172.31 2qut s THR 51 N 5.43 1.89 0.25 -5.21 -4.23 -1.26 -5.04 115.64 107.47 2qut s THR 51 Ca 0.36 -2.25 -0.04 0.00 -1.18 0.00 0.00 61.69 58.58 2qut s THR 51 Cb -0.07 -2.09 0.25 0.00 1.34 0.00 0.00 72.50 71.93 2qut s THR 51 CO 0.09 -0.55 1.89 -0.08 -0.54 0.00 0.00 174.62 175.43 2qut h GLU 52 N 2.51 1.15 -0.23 3.99 4.81 -1.99 -1.58 114.58 123.24 2qut h GLU 52 Ca -0.39 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.75 2qut h GLU 52 Cb 1.23 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2qut h GLU 52 CO 0.61 0.76 0.03 1.49 -0.73 0.00 0.00 179.01 181.17 2qut h GLU 53 N 1.18 0.39 -0.71 1.92 4.57 -1.97 0.10 114.58 120.07 2qut h GLU 53 Ca 0.40 -0.11 0.02 0.00 -1.18 0.00 0.00 59.36 58.48 2qut h GLU 53 Cb 0.06 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 2qut h GLU 53 CO -0.14 0.54 0.46 -0.91 -1.18 0.00 0.00 179.01 177.78 2qut h ASN 54 N 0.18 0.78 -0.19 1.04 2.35 -1.81 0.23 115.58 118.17 2qut h ASN 54 Ca 0.07 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2qut h ASN 54 Cb 0.35 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2qut h ASN 54 CO 0.01 0.56 0.07 0.03 -1.65 0.00 0.00 177.43 176.44 2qut h ARG 55 N 0.93 0.28 -0.26 0.81 3.08 -1.14 0.15 114.38 118.23 2qut h ARG 55 Ca 0.27 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.31 2qut h ARG 55 Cb -0.06 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 2qut h ARG 55 CO -0.08 0.37 -0.00 -0.09 -1.07 0.00 0.00 179.97 179.10 2qut h ARG 56 N 0.14 0.07 -0.48 0.04 2.43 -0.24 -0.46 114.38 115.88 2qut h ARG 56 Ca 0.06 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2qut h ARG 56 Cb 0.19 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 2qut h ARG 56 CO -0.00 0.05 0.31 0.35 -1.51 0.00 0.00 179.97 179.17 2qut h PHE 57 N 0.08 0.59 -0.45 2.20 3.57 -0.37 0.36 116.94 122.91 2qut h PHE 57 Ca 0.13 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2qut h PHE 57 Cb 0.16 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2qut h PHE 57 CO -0.21 0.37 0.29 -0.92 -2.23 0.00 0.00 178.31 175.61 2qut h TYR 58 N 0.64 0.59 -0.60 0.41 3.20 -0.41 0.86 116.97 121.65 2qut h TYR 58 Ca 0.18 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 2qut h TYR 58 Cb -0.06 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 2qut h TYR 58 CO -0.05 0.39 0.10 0.00 -1.64 0.00 0.00 178.16 176.97 2qut h ARG 59 N 0.61 0.98 -0.76 1.82 -0.00 -0.81 -2.38 114.38 113.84 2qut h ARG 59 Ca 0.16 -0.24 -0.03 0.00 -0.50 0.00 0.00 59.98 59.38 2qut h ARG 59 Cb -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 29.97 29.78 2qut h ARG 59 CO -0.03 0.90 0.37 0.37 0.00 0.00 0.00 179.97 181.58 2qut h GLN 60 N 0.92 1.09 -0.63 0.04 4.15 -0.40 0.73 115.11 121.01 2qut h GLN 60 Ca 0.19 -0.16 0.09 0.00 0.77 0.00 0.00 58.65 59.54 2qut h GLN 60 Cb 0.40 -0.20 -0.07 0.00 0.21 0.00 0.00 27.48 27.82 2qut h GLN 60 CO 0.01 0.85 0.27 1.25 -1.93 0.00 0.00 178.83 179.28 2qut h LEU 61 N 1.07 0.32 -0.00 -2.39 6.46 -0.33 0.27 115.31 120.71 2qut h LEU 61 Ca 0.26 0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 58.04 2qut h LEU 61 Cb 0.11 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 2qut h LEU 61 CO -0.03 0.19 -0.19 -0.07 -0.62 0.00 0.00 178.44 177.72 2qut h LEU 62 N 0.48 0.17 -1.75 2.25 3.38 -1.17 -3.32 115.31 115.36 2qut h LEU 62 Ca 0.31 -0.78 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 2qut h LEU 62 Cb 0.35 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2qut h LEU 62 CO -0.28 0.93 -0.17 -0.07 0.09 0.00 0.00 178.44 178.94 2qut h LEU 63 N -0.58 0.00 -3.64 1.67 3.38 -0.69 -3.00 115.31 112.45 2qut h LEU 63 Ca -0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 2qut h LEU 63 Cb 0.96 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.60 2qut h LEU 63 CO 0.04 0.17 0.19 0.35 0.09 0.00 0.00 178.44 179.28 2qut n THR 64 N -3.80 2.83 -0.67 0.22 -2.24 0.07 -4.78 114.28 105.91 2qut n THR 64 Ca -0.02 -1.74 -0.30 0.00 -2.27 0.00 0.00 64.05 59.72 2qut n THR 64 Cb 0.27 -0.34 0.19 0.00 -2.10 0.00 0.00 70.33 68.35 2qut n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qut s ALA 65 N -2.98 0.82 0.84 6.98 0.00 -1.14 -4.95 121.76 121.33 2qut s ALA 65 Ca 0.53 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.70 2qut s ALA 65 Cb 0.43 -3.37 0.10 0.00 0.00 0.00 0.00 23.12 20.28 2qut s ALA 65 CO 0.12 -3.10 1.14 0.16 0.00 0.00 0.00 175.76 174.08 2qut s ASP 66 N -2.66 3.59 0.00 0.00 1.47 -1.26 -4.84 116.67 112.97 2qut s ASP 66 Ca 0.67 2.13 0.00 0.00 1.18 0.00 0.00 52.55 56.53 2qut s ASP 66 Cb -0.23 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 39.79 2qut s ASP 66 CO 0.60 -2.66 0.55 0.47 0.68 0.00 0.00 175.17 174.82 2qut n ASP 67 N -3.73 0.00 0.28 2.11 10.43 -1.26 -2.12 116.55 122.26 2qut n ASP 67 Ca 0.11 0.15 0.17 0.00 2.57 0.00 0.00 54.79 57.79 2qut n ASP 67 Cb 0.52 -0.15 0.73 0.00 1.84 0.00 0.00 41.12 44.06 2qut n ASP 67 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 2qut h ARG 68 N 0.00 0.00 0.00 -1.24 3.08 -2.00 -2.78 114.38 111.44 2qut h ARG 68 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2qut h ARG 68 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2qut h ARG 68 CO 0.00 0.03 -0.80 -0.39 -1.07 0.00 0.00 179.97 177.74 2qut h VAL 69 N 0.00 0.55 -0.87 2.04 -1.51 -1.77 -3.38 116.25 111.31 2qut h VAL 69 Ca -0.00 -1.87 0.19 0.00 -1.23 0.00 0.00 66.70 63.79 2qut h VAL 69 Cb 0.47 2.14 -0.16 0.00 -2.13 0.00 0.00 31.29 31.60 2qut h VAL 69 CO 0.00 0.31 -0.13 0.78 -1.23 0.00 0.00 177.57 177.30 2qut h ASN 70 N 0.00 -0.66 1.21 4.19 4.21 -1.71 0.50 115.58 123.33 2qut h ASN 70 Ca -0.05 0.25 -0.01 0.00 1.21 0.00 0.00 56.30 57.70 2qut h ASN 70 Cb 1.36 0.49 -0.00 0.00 -1.12 0.00 0.00 38.32 39.05 2qut h ASN 70 CO 0.04 -0.28 -0.05 -0.65 -1.29 0.00 0.00 177.43 175.21 2qut h PRO 71 N 0.02 0.00 0.02 0.81 0.11 -1.77 -3.21 132.00 127.97 2qut h PRO 71 Ca 0.45 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.29 2qut h PRO 71 Cb 0.75 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.82 2qut h PRO 71 CO -0.85 0.05 -1.45 0.00 -0.21 0.00 0.00 178.00 175.53 2qut s ILE 73 N -2.64 4.53 -0.16 0.00 -1.09 0.14 -0.37 121.20 121.60 2qut s ILE 73 Ca -0.04 -0.86 0.18 0.00 -2.23 0.00 0.00 60.65 57.70 2qut s ILE 73 Cb 0.09 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.39 2qut s ILE 73 CO 0.83 -0.22 1.01 1.23 -1.23 0.00 0.00 174.94 176.56 2qut h GLY 74 N 8.42 0.00 -2.89 6.18 0.00 -0.26 -3.40 103.07 111.13 2qut h GLY 74 Ca -0.26 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2qut h GLY 74 CO 0.66 0.00 0.19 -0.32 0.00 0.00 0.00 176.54 177.08 2qut s GLY 75 N -4.63 -0.53 -0.05 4.60 0.00 -1.11 -1.31 107.32 104.30 2qut s GLY 75 Ca -0.01 0.36 -0.00 0.00 0.00 0.00 0.00 44.72 45.07 2qut s GLY 75 CO 0.79 0.10 -0.00 0.14 0.00 0.00 0.00 173.10 174.13 2qut s VAL 76 N -3.77 0.31 -0.14 1.40 1.01 -0.68 -1.37 120.40 117.15 2qut s VAL 76 Ca 0.02 0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 2qut s VAL 76 Cb -0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 2qut s VAL 76 CO -0.11 0.21 0.41 -0.63 0.00 0.00 0.00 175.10 174.99 2qut s ILE 77 N 1.49 5.22 0.33 2.22 1.01 0.05 -0.81 121.20 130.72 2qut s ILE 77 Ca -0.03 0.81 0.10 0.00 0.00 0.00 0.00 60.65 61.53 2qut s ILE 77 Cb -0.13 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 2qut s ILE 77 CO -0.03 0.33 -0.09 -0.76 0.00 0.00 0.00 174.94 174.40 2qut s LEU 78 N 0.67 2.77 0.28 2.97 1.43 0.03 -1.27 118.68 125.56 2qut s LEU 78 Ca 0.22 -1.13 -0.00 0.00 -1.03 0.00 0.00 54.13 52.19 2qut s LEU 78 Cb -0.14 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 2qut s LEU 78 CO 0.08 -0.17 0.48 0.12 0.23 0.00 0.00 176.35 177.09 2qut s PHE 79 N -2.57 3.49 0.18 0.29 5.36 -1.26 -1.49 117.98 121.97 2qut s PHE 79 Ca 0.33 0.36 -0.25 0.00 -0.96 0.00 0.00 56.93 56.40 2qut s PHE 79 Cb 0.01 -1.88 0.05 0.00 -0.34 0.00 0.00 43.02 40.86 2qut s PHE 79 CO 0.17 0.24 1.55 1.25 -1.46 0.00 0.00 175.22 176.97 2qut h HIS 80 N 1.35 -1.47 -0.37 10.12 6.17 -1.93 -2.06 115.15 126.95 2qut h HIS 80 Ca -0.49 0.11 0.08 0.00 0.71 0.00 0.00 60.37 60.77 2qut h HIS 80 Cb 1.21 0.76 -0.09 0.00 2.52 0.00 0.00 27.41 31.81 2qut h HIS 80 CO 0.53 -0.40 -0.30 1.49 0.71 0.00 0.00 177.93 179.96 2qut h GLU 81 N -0.09 -0.23 -0.04 5.26 4.81 -1.98 -1.64 114.58 120.67 2qut h GLU 81 Ca 0.22 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2qut h GLU 81 Cb 0.52 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 2qut h GLU 81 CO -0.87 -0.16 0.02 1.15 -0.73 0.00 0.00 179.01 178.43 2qut h THR 82 N -0.24 1.01 0.00 0.32 2.02 -1.79 -1.96 112.91 112.27 2qut h THR 82 Ca 0.17 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 2qut h THR 82 Cb 0.52 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2qut h THR 82 CO -0.51 0.02 -0.08 0.25 0.37 0.00 0.00 175.52 175.56 2qut h LEU 83 N 0.05 0.00 -3.04 2.58 5.85 -0.78 -2.41 115.31 117.56 2qut h LEU 83 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2qut h LEU 83 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2qut h LEU 83 CO -0.00 0.08 0.00 -1.22 -0.34 0.00 0.00 178.44 176.96 2qut n TYR 84 N -3.98 0.81 -3.52 1.25 4.01 -0.75 -4.52 117.16 110.45 2qut n TYR 84 Ca -0.02 -0.63 -0.22 0.00 -0.16 0.00 0.00 57.90 56.86 2qut n TYR 84 Cb 0.17 -0.15 -0.01 0.00 -0.31 0.00 0.00 39.34 39.04 2qut n TYR 84 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2qut s GLN 85 N -1.70 3.39 0.16 -0.72 -0.21 -0.91 -4.97 119.66 114.69 2qut s GLN 85 Ca 0.35 -0.55 0.10 0.00 0.02 0.00 0.00 55.36 55.28 2qut s GLN 85 Cb 0.23 -2.73 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 2qut s GLN 85 CO 0.16 0.18 -0.22 0.15 -2.12 0.00 0.00 175.29 173.43 2qut s LYS 86 N -4.23 1.36 0.86 2.91 1.02 -1.26 -0.89 119.74 119.51 2qut s LYS 86 Ca 0.40 -1.40 -0.13 0.00 0.02 0.00 0.00 55.97 54.86 2qut s LYS 86 Cb -0.09 -1.62 0.11 0.00 -0.52 0.00 0.00 37.83 35.71 2qut s LYS 86 CO 0.34 0.35 1.19 0.00 -0.92 0.00 0.00 175.35 176.31 2qut s ALA 87 N -1.60 2.34 0.60 5.17 0.00 0.27 -4.87 121.76 123.67 2qut s ALA 87 Ca 0.16 -0.71 0.31 0.00 0.00 0.00 0.00 51.96 51.72 2qut s ALA 87 Cb -0.08 -2.95 1.79 0.00 0.00 0.00 0.00 23.12 21.88 2qut s ALA 87 CO 0.07 -1.97 2.17 -0.44 0.00 0.00 0.00 175.76 175.59 2qut h ASP 88 N -1.28 0.00 -0.27 0.00 3.32 -1.99 0.25 116.42 116.45 2qut h ASP 88 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2qut h ASP 88 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2qut h ASP 88 CO 0.60 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.22 2qut n ASP 89 N -3.69 1.55 0.00 6.45 5.68 -1.26 -4.90 116.55 120.39 2qut n ASP 89 Ca -0.00 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 2qut n ASP 89 Cb 0.23 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 2qut n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qut n GLY 90 N 0.89 1.88 3.70 6.12 0.00 0.08 -5.02 105.19 112.85 2qut n GLY 90 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2qut n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qut s ARG 91 N -0.21 4.50 0.42 1.61 0.52 -1.26 -4.72 118.95 119.82 2qut s ARG 91 Ca 0.00 1.49 -0.26 0.00 -0.52 0.00 0.00 55.73 56.43 2qut s ARG 91 Cb 0.00 -3.46 -0.10 0.00 0.52 0.00 0.00 34.95 31.91 2qut s ARG 91 CO 0.00 -0.16 1.44 -2.30 0.02 0.00 0.00 175.30 174.29 2qut n PRO 92 N 4.21 2.38 -0.32 3.54 -0.02 -1.26 -0.57 135.00 142.96 2qut n PRO 92 Ca 0.07 0.84 0.17 0.00 -2.02 0.00 0.00 63.50 62.56 2qut n PRO 92 Cb 0.49 -2.62 0.42 0.00 -0.02 0.00 0.00 33.50 31.78 2qut n PRO 92 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2qut h PHE 93 N 2.52 0.83 -0.55 6.00 0.04 -1.27 0.55 116.94 125.06 2qut h PHE 93 Ca -0.50 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.29 2qut h PHE 93 Cb 1.26 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 39.14 2qut h PHE 93 CO 0.51 0.17 0.31 -1.35 -0.60 0.00 0.00 178.31 177.34 2qut h PRO 94 N 0.58 0.74 -0.40 1.51 0.11 -1.84 0.24 132.00 132.94 2qut h PRO 94 Ca 0.56 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.50 2qut h PRO 94 Cb 1.12 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 2qut h PRO 94 CO -0.31 0.54 -0.14 0.37 -0.21 0.00 0.00 178.00 178.25 2qut h GLN 95 N 0.75 0.81 -0.21 1.05 4.15 -1.26 -1.21 115.11 119.19 2qut h GLN 95 Ca 0.20 -0.33 0.03 0.00 0.77 0.00 0.00 58.65 59.32 2qut h GLN 95 Cb 0.00 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 2qut h GLN 95 CO -0.03 0.95 0.03 0.28 -1.93 0.00 0.00 178.83 178.13 2qut h VAL 96 N 0.62 0.90 -0.23 2.39 2.07 -0.49 0.19 116.25 121.70 2qut h VAL 96 Ca 0.10 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.58 2qut h VAL 96 Cb 0.68 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2qut h VAL 96 CO 0.05 0.02 0.14 0.40 0.02 0.00 0.00 177.57 178.20 2qut h ILE 97 N 0.11 1.04 -0.58 4.57 2.04 -0.85 -2.95 117.51 120.89 2qut h ILE 97 Ca 0.09 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2qut h ILE 97 Cb 0.10 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2qut h ILE 97 CO -0.13 0.05 0.24 0.11 0.00 0.00 0.00 178.15 178.42 2qut h LYS 98 N 0.29 0.86 -0.08 2.37 1.57 -0.92 -1.62 116.57 119.03 2qut h LYS 98 Ca 0.09 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2qut h LYS 98 Cb -0.02 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 2qut h LYS 98 CO -0.03 0.73 0.17 0.66 -0.57 0.00 0.00 179.45 180.41 2qut h SER 99 N 0.80 0.00 -0.58 0.86 4.64 -0.79 0.22 113.55 118.70 2qut h SER 99 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2qut h SER 99 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2qut h SER 99 CO -0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.23 2qut n LYS 100 N -3.38 3.99 -1.03 4.77 5.02 -0.89 -4.91 118.16 121.73 2qut n LYS 100 Ca -0.01 -2.77 -0.01 0.00 -2.02 0.00 0.00 58.31 53.51 2qut n LYS 100 Cb 0.25 -2.01 -0.00 0.00 -0.02 0.00 0.00 35.03 33.26 2qut n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qut n GLY 101 N 0.88 0.49 3.93 0.72 0.00 0.79 -4.61 105.19 107.38 2qut n GLY 101 Ca 0.25 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 2qut n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qut s GLY 102 N -2.33 1.97 0.04 -0.02 0.00 -0.66 -4.83 107.32 101.48 2qut s GLY 102 Ca 0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 44.72 43.68 2qut s GLY 102 CO 0.00 -0.88 0.42 0.14 0.00 0.00 0.00 173.10 172.78 2qut s VAL 103 N -1.64 5.03 -0.13 1.40 1.01 -0.42 -3.57 120.40 122.07 2qut s VAL 103 Ca 0.35 0.74 -0.16 0.00 0.00 0.00 0.00 61.98 62.91 2qut s VAL 103 Cb -0.12 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2qut s VAL 103 CO 0.28 0.47 0.40 -0.69 0.00 0.00 0.00 175.10 175.56 2qut s VAL 104 N -1.20 5.23 0.15 2.92 1.01 -1.26 -1.68 120.40 125.58 2qut s VAL 104 Ca 0.28 0.78 0.11 0.00 0.00 0.00 0.00 61.98 63.15 2qut s VAL 104 Cb -0.16 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2qut s VAL 104 CO 0.15 0.36 -0.25 -0.83 0.00 0.00 0.00 175.10 174.53 2qut s GLY 105 N 0.54 1.58 -0.06 4.51 0.00 0.01 -0.08 107.32 113.82 2qut s GLY 105 Ca 0.22 -1.51 0.02 0.00 0.00 0.00 0.00 44.72 43.45 2qut s GLY 105 CO 0.08 -1.52 -0.12 -1.50 0.00 0.00 0.00 173.10 170.04 2qut s ILE 106 N -1.37 1.11 0.03 0.90 1.10 -0.38 -0.79 121.20 121.80 2qut s ILE 106 Ca 0.16 -0.47 -0.30 0.00 -0.51 0.00 0.00 60.65 59.53 2qut s ILE 106 Cb -0.09 -1.01 -0.04 0.00 0.15 0.00 0.00 42.46 41.47 2qut s ILE 106 CO 0.07 0.35 1.08 -0.75 -2.11 0.00 0.00 174.94 173.58 2qut s LYS 107 N 0.62 4.50 0.00 3.50 2.36 -0.56 -1.99 119.74 128.17 2qut s LYS 107 Ca -0.14 1.58 0.01 0.00 -2.55 0.00 0.00 55.97 54.88 2qut s LYS 107 Cb -0.15 -3.41 -0.00 0.00 -1.05 0.00 0.00 37.83 33.22 2qut s LYS 107 CO 0.03 -0.15 0.32 1.33 1.55 0.00 0.00 175.35 178.43 2qut n VAL 108 N 3.93 0.00 -1.62 4.02 0.24 -0.59 -4.60 118.33 119.71 2qut n VAL 108 Ca 0.07 -0.49 -0.31 0.00 -2.04 0.00 0.00 64.34 61.58 2qut n VAL 108 Cb 0.49 1.02 0.06 0.00 -1.47 0.00 0.00 33.84 33.93 2qut n VAL 108 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2qut s ASP 109 N -0.58 5.23 -0.34 -1.34 1.47 -1.25 -4.83 116.67 115.03 2qut s ASP 109 Ca 0.01 1.48 0.07 0.00 1.18 0.00 0.00 52.55 55.28 2qut s ASP 109 Cb 0.01 -2.33 0.47 0.00 -0.34 0.00 0.00 42.92 40.74 2qut s ASP 109 CO 0.03 -1.52 1.43 0.29 0.68 0.00 0.00 175.17 176.08 2qut n LYS 110 N -3.16 2.59 0.00 2.11 5.02 0.81 -4.95 118.16 120.58 2qut n LYS 110 Ca 0.07 -3.58 0.00 0.00 -2.02 0.00 0.00 58.31 52.78 2qut n LYS 110 Cb 0.55 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 2qut n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qut n GLY 111 N -0.94 -1.51 3.87 0.72 0.00 -1.26 -4.69 105.19 101.38 2qut n GLY 111 Ca 0.40 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 2qut n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qut s VAL 112 N -2.01 4.77 0.03 1.61 -7.23 -1.26 -1.54 120.40 114.76 2qut s VAL 112 Ca 0.00 0.66 0.01 0.00 -1.81 0.00 0.00 61.98 60.84 2qut s VAL 112 Cb 0.00 -3.74 -0.02 0.00 0.56 0.00 0.00 36.38 33.17 2qut s VAL 112 CO 0.00 -0.58 -0.05 0.68 -0.31 0.00 0.00 175.10 174.83 2qut s VAL 113 N -2.45 0.34 0.37 1.32 -7.23 -0.31 -4.89 120.40 107.54 2qut s VAL 113 Ca 0.52 -0.97 -0.27 0.00 -1.81 0.00 0.00 61.98 59.45 2qut s VAL 113 Cb -0.10 -0.44 -0.09 0.00 0.56 0.00 0.00 36.38 36.31 2qut s VAL 113 CO 0.33 -0.42 1.18 -2.16 -0.31 0.00 0.00 175.10 173.72 2qut s PRO 114 N -1.47 4.21 -0.35 4.82 0.04 -1.26 -1.46 135.00 139.52 2qut s PRO 114 Ca -0.12 1.90 -0.17 0.00 0.04 0.00 0.00 61.00 62.65 2qut s PRO 114 Cb -0.10 -2.83 -0.01 0.00 0.04 0.00 0.00 34.50 31.60 2qut s PRO 114 CO -0.00 -0.20 0.46 -0.51 0.04 0.00 0.00 177.00 176.78 2qut s LEU 115 N -2.19 4.41 0.52 -3.56 1.43 0.13 -4.82 118.68 114.60 2qut s LEU 115 Ca 0.53 -0.13 -0.23 0.00 -1.03 0.00 0.00 54.13 53.27 2qut s LEU 115 Cb -0.32 -2.49 -0.06 0.00 0.03 0.00 0.00 46.19 43.35 2qut s LEU 115 CO 0.42 -0.44 1.38 0.00 0.23 0.00 0.00 176.35 177.94 2qut s ALA 116 N 2.25 2.93 0.00 4.21 0.00 -1.26 -2.72 121.76 127.18 2qut s ALA 116 Ca 0.16 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.49 2qut s ALA 116 Cb -0.16 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2qut s ALA 116 CO 0.13 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.97 2qut n GLY 117 N 0.68 0.53 3.62 0.00 0.00 -1.26 -5.03 105.19 103.73 2qut n GLY 117 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2qut n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qut s THR 118 N -2.16 2.39 -1.28 2.61 -4.23 -1.10 -5.05 115.64 106.82 2qut s THR 118 Ca 0.00 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.37 2qut s THR 118 Cb 0.00 -2.81 0.14 0.00 1.34 0.00 0.00 72.50 71.17 2qut s THR 118 CO 0.00 -0.15 1.71 -3.20 -0.54 0.00 0.00 174.62 172.44 2qut n ASN 119 N -0.94 4.99 -1.00 3.99 5.15 -1.26 -4.42 115.26 121.77 2qut n ASN 119 Ca -0.04 -2.99 -0.12 0.00 -0.60 0.00 0.00 54.58 50.83 2qut n ASN 119 Cb 0.64 -1.58 -0.04 0.00 -0.53 0.00 0.00 39.78 38.26 2qut n ASN 119 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qut n GLY 120 N 3.93 0.95 3.91 8.20 0.00 -1.26 -5.00 105.19 115.92 2qut n GLY 120 Ca 0.42 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 2qut n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qut s GLU 121 N -3.36 3.33 0.20 1.61 2.02 -1.26 -4.97 118.70 116.26 2qut s GLU 121 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.06 2qut s GLU 121 Cb 0.00 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 2qut s GLU 121 CO 0.00 -0.34 0.08 0.95 0.02 0.00 0.00 175.26 175.97 2qut s THR 122 N -2.79 0.29 0.37 3.63 -4.23 -1.26 -0.69 115.64 110.96 2qut s THR 122 Ca 0.49 -1.98 0.04 0.00 -1.18 0.00 0.00 61.69 59.06 2qut s THR 122 Cb -0.10 -2.38 -0.01 0.00 1.34 0.00 0.00 72.50 71.34 2qut s THR 122 CO 0.44 -0.17 0.14 1.07 -0.54 0.00 0.00 174.62 175.55 2qut n THR 123 N -0.29 0.00 -4.90 3.99 5.66 -0.54 -4.79 114.28 113.42 2qut n THR 123 Ca -0.01 -2.18 -0.27 0.00 -3.05 0.00 0.00 64.05 58.54 2qut n THR 123 Cb 0.65 0.79 -0.15 0.00 -1.55 0.00 0.00 70.33 70.07 2qut n THR 123 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2qut s THR 124 N -2.96 1.62 0.42 1.09 2.01 -1.26 -1.16 115.64 115.40 2qut s THR 124 Ca 0.19 -0.96 0.08 0.00 0.31 0.00 0.00 61.69 61.31 2qut s THR 124 Cb 0.01 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.14 2qut s THR 124 CO 0.14 0.39 0.40 0.00 -0.69 0.00 0.00 174.62 174.86 2qut s GLN 125 N -0.66 2.55 0.00 4.92 -2.07 -0.59 -4.90 119.66 118.91 2qut s GLN 125 Ca 0.08 -1.52 0.00 0.00 -1.82 0.00 0.00 55.36 52.10 2qut s GLN 125 Cb -0.08 -2.41 0.00 0.00 -1.09 0.00 0.00 33.01 29.43 2qut s GLN 125 CO -0.00 -0.22 0.00 0.41 -1.32 0.00 0.00 175.29 174.16 2qut n GLY 126 N -1.59 -0.23 0.11 2.60 0.00 -1.26 -0.13 105.19 104.69 2qut n GLY 126 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 2qut n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qut h LEU 127 N 0.00 0.00 -9.35 0.99 3.38 -1.90 -3.41 115.31 105.02 2qut h LEU 127 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2qut h LEU 127 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 2qut h LEU 127 CO 0.00 0.73 1.17 0.47 0.09 0.00 0.00 178.44 180.89 2qut n ASP 128 N -3.49 3.89 -0.50 -0.43 8.00 -1.26 -1.26 116.55 121.50 2qut n ASP 128 Ca -0.00 0.94 -0.06 0.00 0.71 0.00 0.00 54.79 56.37 2qut n ASP 128 Cb 0.76 -1.47 -0.03 0.00 -0.02 0.00 0.00 41.12 40.35 2qut n ASP 128 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qut n GLY 129 N 4.45 0.77 0.32 0.44 0.00 -1.26 -4.88 105.19 105.02 2qut n GLY 129 Ca 0.21 -0.18 0.01 0.00 0.00 0.00 0.00 46.02 46.05 2qut n GLY 129 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2qut h LEU 130 N 0.00 0.68 0.13 0.99 5.85 -1.41 -1.99 115.31 119.55 2qut h LEU 130 Ca -0.13 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2qut h LEU 130 Cb 0.76 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 2qut h LEU 130 CO 0.19 0.55 -0.09 -1.28 -0.34 0.00 0.00 178.44 177.47 2qut h SER 131 N 0.77 -0.22 -0.90 1.25 0.87 -1.90 0.62 113.55 114.03 2qut h SER 131 Ca 0.20 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 2qut h SER 131 Cb 0.02 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 2qut h SER 131 CO -0.03 -0.14 0.49 -0.33 -0.53 0.00 0.00 176.83 176.28 2qut h GLU 132 N -0.22 1.26 -0.69 2.24 3.07 -1.92 -1.50 114.58 116.83 2qut h GLU 132 Ca -0.01 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.36 58.65 2qut h GLU 132 Cb 0.19 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 2qut h GLU 132 CO 0.00 0.93 0.24 0.00 -1.40 0.00 0.00 179.01 178.78 2qut h ARG 133 N 1.27 1.05 -0.54 2.33 3.08 -1.00 -1.90 114.38 118.68 2qut h ARG 133 Ca 0.32 -0.21 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 2qut h ARG 133 Cb 0.04 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2qut h ARG 133 CO -0.05 0.89 -0.11 0.00 -1.07 0.00 0.00 179.97 179.63 2qut h ALA 135 N 0.95 1.15 -0.11 0.00 0.00 -1.09 0.71 119.26 120.87 2qut h ALA 135 Ca 0.14 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2qut h ALA 135 Cb 0.68 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2qut h ALA 135 CO 0.05 0.64 -0.22 0.37 0.00 0.00 0.00 179.25 180.09 2qut h GLN 136 N 1.16 0.35 -0.93 0.00 5.75 -1.09 -2.52 115.11 117.83 2qut h GLN 136 Ca 0.28 -0.23 0.02 0.00 -0.15 0.00 0.00 58.65 58.57 2qut h GLN 136 Cb 0.12 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.65 2qut h GLN 136 CO -0.03 0.82 0.62 1.88 -2.65 0.00 0.00 178.83 179.46 2qut h TYR 137 N -0.08 1.16 0.08 3.99 0.05 -0.56 -1.31 116.97 120.31 2qut h TYR 137 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.82 2qut h TYR 137 Cb 0.81 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 2qut h TYR 137 CO 0.10 0.72 -0.09 -0.22 -1.05 0.00 0.00 178.16 177.62 2qut h LYS 138 N 1.24 -0.18 -0.22 4.88 1.63 -0.82 -1.34 116.57 121.76 2qut h LYS 138 Ca 0.35 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.20 2qut h LYS 138 Cb -0.10 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 2qut h LYS 138 CO -0.08 -0.12 0.15 0.87 -3.45 0.00 0.00 179.45 176.81 2qut h LYS 139 N -0.19 0.13 -0.70 1.90 1.57 -0.97 -1.96 116.57 116.36 2qut h LYS 139 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qut h LYS 139 Cb 0.19 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2qut h LYS 139 CO -0.03 0.09 0.00 -0.25 -0.57 0.00 0.00 179.45 178.69 2qut n ASP 140 N -4.49 3.13 0.00 0.86 8.00 -0.54 -4.91 116.55 118.60 2qut n ASP 140 Ca 0.01 -2.37 0.00 0.00 0.71 0.00 0.00 54.79 53.14 2qut n ASP 140 Cb 0.20 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 2qut n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qut n GLY 141 N 0.50 1.13 3.75 0.44 0.00 -0.73 -4.93 105.19 105.34 2qut n GLY 141 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2qut n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qut s ALA 142 N -2.20 3.33 -0.11 4.61 0.00 -0.58 -4.36 121.76 122.46 2qut s ALA 142 Ca 0.00 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.44 2qut s ALA 142 Cb 0.00 -3.12 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 2qut s ALA 142 CO 0.00 0.09 0.14 -0.25 0.00 0.00 0.00 175.76 175.74 2qut n ASP 143 N 2.43 1.99 -4.12 0.00 8.00 0.89 -3.99 116.55 121.75 2qut n ASP 143 Ca -0.01 -0.32 -0.10 0.00 0.71 0.00 0.00 54.79 55.07 2qut n ASP 143 Cb 0.49 1.09 -0.10 0.00 -0.02 0.00 0.00 41.12 42.59 2qut n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2qut s PHE 144 N -1.82 0.78 0.24 1.24 -0.71 -1.13 -0.88 117.98 115.69 2qut s PHE 144 Ca 0.00 -1.15 0.01 0.00 -1.04 0.00 0.00 56.93 54.75 2qut s PHE 144 Cb 0.03 -0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 41.39 2qut s PHE 144 CO 0.18 -0.55 0.14 0.00 -1.34 0.00 0.00 175.22 173.65 2qut s ALA 145 N -4.03 1.48 0.01 1.99 0.00 0.47 -1.25 121.76 120.43 2qut s ALA 145 Ca 0.22 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 50.41 2qut s ALA 145 Cb 0.07 1.27 -0.01 0.00 0.00 0.00 0.00 23.12 24.46 2qut s ALA 145 CO 0.01 -0.55 -0.03 0.21 0.00 0.00 0.00 175.76 175.40 2qut s LYS 146 N -4.02 0.23 -0.04 0.00 2.20 -0.84 -0.76 119.74 116.51 2qut s LYS 146 Ca 0.38 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.72 2qut s LYS 146 Cb 0.07 -0.12 0.03 0.00 -1.51 0.00 0.00 37.83 36.30 2qut s LYS 146 CO 0.14 0.02 0.06 -0.46 -0.36 0.00 0.00 175.35 174.76 2qut s TRP 147 N -0.49 0.01 -0.20 4.03 -0.11 -1.20 -1.54 118.94 119.44 2qut s TRP 147 Ca -0.04 0.24 -0.05 0.00 1.22 0.00 0.00 56.10 57.47 2qut s TRP 147 Cb -0.04 -0.32 -0.03 0.00 -1.50 0.00 0.00 33.47 31.59 2qut s TRP 147 CO -0.00 -0.15 0.01 0.50 -4.62 0.00 0.00 176.95 172.69 2qut s ARG 148 N 1.57 3.66 0.03 5.86 3.52 -1.26 -2.72 118.95 129.61 2qut s ARG 148 Ca -0.03 -0.50 0.04 0.00 -0.13 0.00 0.00 55.73 55.11 2qut s ARG 148 Cb -0.12 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 2qut s ARG 148 CO -0.03 0.05 -0.07 0.00 -0.81 0.00 0.00 175.30 174.44 2qut s VAL 150 N -1.07 1.44 0.18 0.00 1.01 -1.26 -1.30 120.40 119.41 2qut s VAL 150 Ca 0.19 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 61.66 2qut s VAL 150 Cb -0.11 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2qut s VAL 150 CO 0.10 0.43 -0.23 -0.76 0.00 0.00 0.00 175.10 174.64 2qut s LEU 151 N 0.98 2.43 -0.01 3.92 1.43 0.31 -4.49 118.68 123.25 2qut s LEU 151 Ca -0.07 -0.86 0.03 0.00 -1.03 0.00 0.00 54.13 52.21 2qut s LEU 151 Cb -0.15 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 2qut s LEU 151 CO -0.01 0.09 -0.11 -0.75 0.23 0.00 0.00 176.35 175.79 2qut s LYS 152 N -2.65 0.94 -0.18 1.70 2.20 -1.26 -0.89 119.74 119.60 2qut s LYS 152 Ca 0.19 -0.40 -0.21 0.00 -0.36 0.00 0.00 55.97 55.19 2qut s LYS 152 Cb -0.08 -0.90 -0.03 0.00 -1.51 0.00 0.00 37.83 35.31 2qut s LYS 152 CO 0.09 0.23 0.64 0.42 -0.36 0.00 0.00 175.35 176.36 2qut s ILE 153 N -0.20 5.03 0.00 5.43 1.01 -1.26 -2.43 121.20 128.78 2qut s ILE 153 Ca 0.03 1.22 0.00 0.00 0.00 0.00 0.00 60.65 61.90 2qut s ILE 153 Cb -0.05 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.46 2qut s ILE 153 CO -0.00 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 2qut n GLY 154 N 3.69 2.81 0.26 6.18 0.00 -0.13 -4.79 105.19 113.20 2qut n GLY 154 Ca -0.01 -1.17 -0.07 0.00 0.00 0.00 0.00 46.02 44.76 2qut n GLY 154 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qut h GLU 155 N 0.00 0.85 -0.15 1.61 4.39 -2.01 -3.24 114.58 116.03 2qut h GLU 155 Ca 0.00 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2qut h GLU 155 Cb 0.00 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 2qut h GLU 155 CO 0.00 0.71 0.00 0.72 -1.16 0.00 0.00 179.01 179.28 2qut n HIS 156 N -4.51 0.23 -4.22 4.33 8.25 -1.26 -5.02 115.22 113.01 2qut n HIS 156 Ca 0.03 -0.56 -0.19 0.00 -0.26 0.00 0.00 57.72 56.74 2qut n HIS 156 Cb 0.14 -0.07 -0.12 0.00 1.12 0.00 0.00 29.99 31.07 2qut n HIS 156 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2qut s THR 157 N -1.26 1.31 0.27 1.59 -4.23 -1.22 -3.64 115.64 108.46 2qut s THR 157 Ca 0.14 -1.56 -0.29 0.00 -1.18 0.00 0.00 61.69 58.79 2qut s THR 157 Cb 0.09 -1.38 -0.09 0.00 1.34 0.00 0.00 72.50 72.45 2qut s THR 157 CO 0.07 -0.31 1.10 -2.16 -0.54 0.00 0.00 174.62 172.77 2qut s PRO 158 N -2.27 4.64 0.75 3.99 0.04 -1.02 -0.96 135.00 140.17 2qut s PRO 158 Ca 0.05 1.79 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 2qut s PRO 158 Cb -0.07 -3.20 0.04 0.00 0.04 0.00 0.00 34.50 31.31 2qut s PRO 158 CO 0.03 0.21 1.11 -1.54 0.04 0.00 0.00 177.00 176.85 2qut s SER 159 N -0.84 5.04 0.21 6.66 1.04 -1.24 -4.87 113.70 119.71 2qut s SER 159 Ca 0.45 1.12 -0.10 0.00 0.48 0.00 0.00 55.95 57.90 2qut s SER 159 Cb -0.32 -1.85 0.20 0.00 0.10 0.00 0.00 66.02 64.15 2qut s SER 159 CO 0.40 -1.60 1.85 0.00 0.98 0.00 0.00 173.24 174.87 2qut h ALA 160 N -0.83 0.94 -0.14 5.32 0.00 -2.00 -1.36 119.26 121.19 2qut h ALA 160 Ca -0.46 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2qut h ALA 160 Cb 1.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2qut h ALA 160 CO 0.63 0.22 0.07 1.25 0.00 0.00 0.00 179.25 181.42 2qut h LEU 161 N 0.87 0.18 -0.51 0.00 5.85 -1.99 -0.88 115.31 118.83 2qut h LEU 161 Ca 0.29 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.94 2qut h LEU 161 Cb 0.03 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2qut h LEU 161 CO -0.11 0.22 0.30 0.00 -0.34 0.00 0.00 178.44 178.51 2qut h ALA 162 N 0.96 0.65 -0.04 1.25 0.00 -1.85 0.10 119.26 120.33 2qut h ALA 162 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qut h ALA 162 Cb 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2qut h ALA 162 CO -0.01 0.01 0.01 0.82 0.00 0.00 0.00 179.25 180.08 2qut h ILE 163 N 0.60 1.16 0.15 0.00 2.04 -1.14 -1.21 117.51 119.12 2qut h ILE 163 Ca 0.20 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2qut h ILE 163 Cb 0.02 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2qut h ILE 163 CO -0.09 0.13 -0.07 -0.03 0.00 0.00 0.00 178.15 178.09 2qut h MET 164 N -0.12 -0.20 -0.06 2.37 4.05 -0.94 -1.40 114.93 118.63 2qut h MET 164 Ca 0.01 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2qut h MET 164 Cb 0.20 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.04 2qut h MET 164 CO -0.00 -0.09 0.04 1.49 0.23 0.00 0.00 176.91 178.58 2qut h GLU 165 N -0.26 0.09 -0.86 0.39 4.57 -0.81 -0.12 114.58 117.56 2qut h GLU 165 Ca -0.02 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 2qut h GLU 165 Cb 0.21 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.74 2qut h GLU 165 CO 0.03 0.10 0.47 -0.91 -1.18 0.00 0.00 179.01 177.52 2qut h ASN 166 N 0.05 1.08 -0.47 1.04 2.35 -1.23 -0.58 115.58 117.80 2qut h ASN 166 Ca 0.02 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 2qut h ASN 166 Cb 0.04 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2qut h ASN 166 CO -0.00 0.86 0.04 0.00 -1.65 0.00 0.00 177.43 176.68 2qut h ALA 167 N 1.31 1.07 -0.17 -0.83 0.00 -0.96 -2.22 119.26 117.46 2qut h ALA 167 Ca 0.30 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2qut h ALA 167 Cb 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2qut h ALA 167 CO -0.05 0.59 -0.09 -0.97 0.00 0.00 0.00 179.25 178.73 2qut h ASN 168 N 0.82 0.38 0.00 0.00 -1.24 -0.34 -2.50 115.58 112.70 2qut h ASN 168 Ca 0.16 -0.42 -0.08 0.00 0.71 0.00 0.00 56.30 56.68 2qut h ASN 168 Cb 0.43 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 2qut h ASN 168 CO 0.02 0.71 -0.21 1.62 -1.29 0.00 0.00 177.43 178.28 2qut h VAL 169 N 0.04 1.24 -0.65 2.57 3.04 -1.05 -0.99 116.25 120.45 2qut h VAL 169 Ca 0.04 -1.11 -0.04 0.00 -1.01 0.00 0.00 66.70 64.59 2qut h VAL 169 Cb 0.57 1.31 -0.03 0.00 -2.01 0.00 0.00 31.29 31.14 2qut h VAL 169 CO 0.03 0.35 0.27 -0.07 -1.01 0.00 0.00 177.57 177.13 2qut h LEU 170 N 0.33 0.89 -0.67 3.16 3.38 -1.37 -1.12 115.31 119.92 2qut h LEU 170 Ca 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2qut h LEU 170 Cb 0.56 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2qut h LEU 170 CO 0.04 0.81 0.32 0.00 0.09 0.00 0.00 178.44 179.70 2qut h ALA 171 N 1.11 0.86 -0.44 1.53 0.00 -0.87 -0.01 119.26 121.44 2qut h ALA 171 Ca 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2qut h ALA 171 Cb 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2qut h ALA 171 CO -0.02 0.43 0.21 0.00 0.00 0.00 0.00 179.25 179.86 2qut h ARG 172 N 0.93 0.63 -0.39 0.00 2.47 -0.86 -0.88 114.38 116.28 2qut h ARG 172 Ca 0.23 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 2qut h ARG 172 Cb 0.12 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.31 2qut h ARG 172 CO -0.03 0.55 0.20 -0.92 0.56 0.00 0.00 179.97 180.33 2qut h TYR 173 N 0.57 0.55 -0.54 3.04 3.20 -0.92 -1.88 116.97 120.98 2qut h TYR 173 Ca 0.15 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 2qut h TYR 173 Cb 0.13 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 2qut h TYR 173 CO -0.01 0.44 0.14 0.00 -1.64 0.00 0.00 178.16 177.10 2qut h ALA 174 N 1.05 1.24 -0.11 1.82 0.00 -0.82 -1.28 119.26 121.16 2qut h ALA 174 Ca 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2qut h ALA 174 Cb 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2qut h ALA 174 CO -0.02 0.53 0.03 1.03 0.00 0.00 0.00 179.25 180.82 2qut h SER 175 N 0.80 0.16 -0.61 0.00 0.87 -0.89 -1.91 113.55 111.97 2qut h SER 175 Ca 0.18 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 2qut h SER 175 Cb 0.27 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 2qut h SER 175 CO -0.00 0.35 0.24 0.40 -0.53 0.00 0.00 176.83 177.29 2qut h ILE 176 N -0.03 1.23 0.08 2.23 2.04 -1.17 -2.68 117.51 119.20 2qut h ILE 176 Ca 0.03 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.18 2qut h ILE 176 Cb 0.25 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2qut h ILE 176 CO 0.00 0.29 -0.16 0.00 0.00 0.00 0.00 178.15 178.27 2qut h GLN 178 N -0.31 0.00 0.00 0.00 4.20 -1.25 0.56 115.11 118.31 2qut h GLN 178 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2qut h GLN 178 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2qut h GLN 178 CO -0.10 0.04 0.00 1.04 -0.67 0.00 0.00 178.83 179.14 2qut n GLN 179 N -3.80 0.16 -0.33 1.46 1.13 -0.95 -3.01 117.38 112.04 2qut n GLN 179 Ca -0.03 0.30 0.07 0.00 -1.94 0.00 0.00 57.00 55.41 2qut n GLN 179 Cb 0.13 -1.75 0.18 0.00 0.11 0.00 0.00 30.24 28.92 2qut n GLN 179 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2qut n ASN 180 N -2.03 2.57 -0.99 1.08 4.13 0.13 -4.97 115.26 115.17 2qut n ASN 180 Ca 0.04 -3.30 -0.13 0.00 1.68 0.00 0.00 54.58 52.87 2qut n ASN 180 Cb 0.28 -0.50 -0.05 0.00 -1.54 0.00 0.00 39.78 37.97 2qut n ASN 180 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qut n GLY 181 N -1.15 1.32 3.49 7.41 0.00 -1.16 -4.77 105.19 110.33 2qut n GLY 181 Ca 0.20 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 2qut n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qut s ILE 182 N -2.48 3.76 -0.24 -0.61 1.01 -0.83 -4.84 121.20 116.96 2qut s ILE 182 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 60.65 59.95 2qut s ILE 182 Cb 0.00 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.85 2qut s ILE 182 CO 0.00 0.51 1.06 -0.69 0.00 0.00 0.00 174.94 175.82 2qut s VAL 183 N 0.23 4.62 -0.08 2.92 1.01 -0.06 -3.11 120.40 125.93 2qut s VAL 183 Ca -0.03 1.95 -0.23 0.00 0.00 0.00 0.00 61.98 63.66 2qut s VAL 183 Cb -0.14 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2qut s VAL 183 CO 0.03 -0.23 0.69 -2.16 0.00 0.00 0.00 175.10 173.43 2qut s PRO 184 N 3.30 4.41 -0.34 2.72 0.04 -1.25 -0.40 135.00 143.48 2qut s PRO 184 Ca 0.45 0.84 -0.18 0.00 0.04 0.00 0.00 61.00 62.16 2qut s PRO 184 Cb -0.15 -3.46 -0.01 0.00 0.04 0.00 0.00 34.50 30.92 2qut s PRO 184 CO 0.08 0.03 0.49 0.42 0.04 0.00 0.00 177.00 178.06 2qut s ILE 185 N 0.92 5.04 -0.42 0.56 1.01 0.06 -2.55 121.20 125.83 2qut s ILE 185 Ca 0.36 0.35 -0.24 0.00 0.00 0.00 0.00 60.65 61.11 2qut s ILE 185 Cb -0.17 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.39 2qut s ILE 185 CO 0.17 -0.17 0.86 -0.69 0.00 0.00 0.00 174.94 175.11 2qut s VAL 186 N 2.33 4.60 -0.57 2.92 1.01 -0.06 -3.28 120.40 127.35 2qut s VAL 186 Ca 0.18 0.79 -0.01 0.00 0.00 0.00 0.00 61.98 62.93 2qut s VAL 186 Cb -0.16 -4.33 0.15 0.00 0.00 0.00 0.00 36.38 32.04 2qut s VAL 186 CO 0.13 -0.65 0.36 -0.70 0.00 0.00 0.00 175.10 174.24 2qut s GLU 187 N 3.43 2.35 -1.10 2.72 2.12 -1.10 -0.83 118.70 126.29 2qut s GLU 187 Ca 0.34 -2.44 -0.11 0.00 0.36 0.00 0.00 54.97 53.13 2qut s GLU 187 Cb -0.12 -3.62 0.24 0.00 0.26 0.00 0.00 34.13 30.90 2qut s GLU 187 CO 0.22 -1.14 1.15 -1.25 -0.54 0.00 0.00 175.26 173.70 2qut s PRO 188 N 0.08 4.10 -0.09 4.30 0.04 -1.25 -0.81 135.00 141.37 2qut s PRO 188 Ca 0.16 -2.96 -0.30 0.00 0.04 0.00 0.00 61.00 57.94 2qut s PRO 188 Cb -0.22 -4.67 -0.02 0.00 0.04 0.00 0.00 34.50 29.64 2qut s PRO 188 CO -0.03 -1.38 1.05 -2.00 0.04 0.00 0.00 177.00 174.68 2qut s GLU 189 N -0.38 4.41 -0.40 4.56 2.12 -0.42 -4.53 118.70 124.06 2qut s GLU 189 Ca 0.32 1.45 -0.12 0.00 0.36 0.00 0.00 54.97 56.98 2qut s GLU 189 Cb -0.08 -3.54 0.04 0.00 0.26 0.00 0.00 34.13 30.81 2qut s GLU 189 CO -0.06 -0.34 0.26 0.42 -0.54 0.00 0.00 175.26 175.00 2qut s ILE 190 N 2.03 4.75 0.62 -3.70 1.01 -1.26 -0.53 121.20 124.12 2qut s ILE 190 Ca 0.50 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 60.04 2qut s ILE 190 Cb -0.20 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2qut s ILE 190 CO 0.19 -0.34 0.91 0.18 0.00 0.00 0.00 174.94 175.88 2qut n LEU 191 N 5.05 3.40 -0.16 2.97 4.77 -0.06 -4.84 117.00 128.13 2qut n LEU 191 Ca -0.11 0.77 0.14 0.00 -0.03 0.00 0.00 56.01 56.78 2qut n LEU 191 Cb 0.45 -1.37 0.63 0.00 -2.33 0.00 0.00 43.42 40.81 2qut n LEU 191 CO 0.39 -2.04 0.89 -0.81 -1.33 0.00 0.00 177.39 174.50 2qut n PRO 192 N -1.04 0.89 -1.65 3.23 -0.04 -1.26 -4.49 135.00 130.63 2qut n PRO 192 Ca 0.14 -0.33 -0.49 0.00 -0.04 0.00 0.00 63.50 62.77 2qut n PRO 192 Cb 0.48 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 2qut n PRO 192 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2qut n ASP 193 N -0.77 2.56 0.00 3.54 9.92 -1.26 -0.41 116.55 130.13 2qut n ASP 193 Ca 0.16 1.08 0.00 0.00 -0.53 0.00 0.00 54.79 55.51 2qut n ASP 193 Cb 0.27 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.44 2qut n ASP 193 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qut n GLY 194 N 3.27 1.54 1.11 0.44 0.00 -1.26 -4.53 105.19 105.76 2qut n GLY 194 Ca 0.19 -2.22 0.06 0.00 0.00 0.00 0.00 46.02 44.06 2qut n GLY 194 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qut n ASP 195 N 0.00 4.06 -4.75 1.61 5.68 -1.26 -0.68 116.55 121.20 2qut n ASP 195 Ca 0.00 -3.09 -0.32 0.00 -0.50 0.00 0.00 54.79 50.89 2qut n ASP 195 Cb 0.00 -0.58 0.09 0.00 -1.14 0.00 0.00 41.12 39.49 2qut n ASP 195 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 2qut s HIS 196 N -2.87 2.42 0.38 2.11 -3.43 -1.26 -4.36 115.29 108.28 2qut s HIS 196 Ca 0.45 1.59 0.01 0.00 -0.80 0.00 0.00 55.06 56.31 2qut s HIS 196 Cb 0.36 -3.15 0.07 0.00 -1.43 0.00 0.00 32.58 28.44 2qut s HIS 196 CO 0.09 -1.96 0.52 -0.40 -2.00 0.00 0.00 174.74 170.99 2qut n ASP 197 N -3.30 0.83 0.03 7.38 5.68 -1.26 0.92 116.55 126.83 2qut n ASP 197 Ca 0.10 -1.67 -0.12 0.00 -0.50 0.00 0.00 54.79 52.60 2qut n ASP 197 Cb 0.52 -0.33 -0.06 0.00 -1.14 0.00 0.00 41.12 40.11 2qut n ASP 197 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2qut h LEU 198 N 0.00 0.02 -1.65 -2.12 5.85 -1.91 -2.66 115.31 112.84 2qut h LEU 198 Ca -0.17 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 2qut h LEU 198 Cb 0.67 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2qut h LEU 198 CO 0.20 0.02 -0.18 0.07 -0.34 0.00 0.00 178.44 178.21 2qut h LYS 199 N 0.03 0.00 -0.16 1.25 2.10 -1.95 -0.72 116.57 117.12 2qut h LYS 199 Ca 0.01 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.65 2qut h LYS 199 Cb 0.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 2qut h LYS 199 CO -0.01 0.18 0.02 -0.09 -2.00 0.00 0.00 179.45 177.55 2qut h ARG 200 N 0.00 0.26 -0.81 0.07 9.65 -1.89 -0.46 114.38 121.20 2qut h ARG 200 Ca -0.00 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 58.77 2qut h ARG 200 Cb 0.32 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.83 2qut h ARG 200 CO 0.02 0.44 0.35 0.00 2.80 0.00 0.00 179.97 183.59 2qut h GLN 202 N 1.17 0.45 0.09 0.00 4.15 -0.96 0.54 115.11 120.57 2qut h GLN 202 Ca 0.27 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.65 2qut h GLN 202 Cb 0.18 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 2qut h GLN 202 CO -0.03 0.42 -0.23 -0.92 -1.93 0.00 0.00 178.83 176.14 2qut h TYR 203 N 0.38 -0.62 -0.51 3.99 3.20 -0.77 -0.64 116.97 121.99 2qut h TYR 203 Ca 0.11 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2qut h TYR 203 Cb 0.11 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 2qut h TYR 203 CO -0.02 -0.33 0.30 0.28 -1.64 0.00 0.00 178.16 176.75 2qut h VAL 204 N -0.42 1.16 -0.96 1.81 2.07 -1.21 -1.85 116.25 116.85 2qut h VAL 204 Ca 0.03 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.17 2qut h VAL 204 Cb 0.45 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 2qut h VAL 204 CO -0.15 0.17 0.63 0.74 0.02 0.00 0.00 177.57 178.99 2qut h THR 205 N 0.68 1.24 -0.50 2.57 2.02 -0.67 0.86 112.91 119.11 2qut h THR 205 Ca 0.18 -0.44 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 2qut h THR 205 Cb 0.02 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.24 2qut h THR 205 CO -0.03 0.24 0.12 -0.33 0.37 0.00 0.00 175.52 175.89 2qut h GLU 206 N 1.29 0.79 -0.47 6.66 5.08 -0.74 -0.60 114.58 126.60 2qut h GLU 206 Ca 0.35 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 2qut h GLU 206 Cb -0.14 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 2qut h GLU 206 CO -0.08 0.77 0.02 0.87 -1.00 0.00 0.00 179.01 179.59 2qut h LYS 207 N 0.68 0.81 -0.20 2.33 1.79 -0.85 -1.31 116.57 119.82 2qut h LYS 207 Ca 0.16 -0.25 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 2qut h LYS 207 Cb 0.33 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2qut h LYS 207 CO 0.00 0.85 0.07 0.28 -1.08 0.00 0.00 179.45 179.57 2qut h VAL 208 N 0.66 1.18 -0.28 0.50 2.07 -0.71 -2.02 116.25 117.64 2qut h VAL 208 Ca 0.13 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 2qut h VAL 208 Cb 0.47 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2qut h VAL 208 CO 0.02 0.17 -0.17 -0.07 0.02 0.00 0.00 177.57 177.54 2qut h LEU 209 N 0.15 0.50 -0.65 2.57 3.38 -1.06 -0.02 115.31 120.16 2qut h LEU 209 Ca 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2qut h LEU 209 Cb 0.21 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2qut h LEU 209 CO -0.00 0.69 0.35 0.00 0.09 0.00 0.00 178.44 179.57 2qut h ALA 210 N 1.36 0.84 -0.47 1.53 0.00 -1.07 -1.12 119.26 120.33 2qut h ALA 210 Ca 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2qut h ALA 210 Cb 0.56 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2qut h ALA 210 CO 0.04 0.36 0.07 0.00 0.00 0.00 0.00 179.25 179.72 2qut h ALA 211 N 1.17 0.62 -0.13 0.00 0.00 -0.83 -2.08 119.26 118.01 2qut h ALA 211 Ca 0.23 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2qut h ALA 211 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2qut h ALA 211 CO -0.04 0.36 0.03 0.28 0.00 0.00 0.00 179.25 179.88 2qut h VAL 212 N 0.65 0.95 0.00 0.00 2.07 -0.59 -1.51 116.25 117.82 2qut h VAL 212 Ca 0.14 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.54 2qut h VAL 212 Cb 0.40 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2qut h VAL 212 CO 0.01 0.02 -0.43 1.88 0.02 0.00 0.00 177.57 179.07 2qut h TYR 213 N 0.09 0.00 -0.36 1.57 0.05 -1.18 -0.68 116.97 116.47 2qut h TYR 213 Ca 0.06 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.74 2qut h TYR 213 Cb 0.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 2qut h TYR 213 CO -0.12 0.43 -0.14 -0.22 -1.05 0.00 0.00 178.16 177.06 2qut h LYS 214 N 0.00 0.73 -0.61 4.88 1.63 -1.11 -1.21 116.57 120.88 2qut h LYS 214 Ca -0.00 -0.31 -0.03 0.00 -0.85 0.00 0.00 60.65 59.46 2qut h LYS 214 Cb 0.91 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.49 2qut h LYS 214 CO 0.06 0.91 0.25 0.00 -3.45 0.00 0.00 179.45 177.22 2qut h ALA 215 N 0.80 0.79 -0.28 5.00 0.00 -1.00 0.01 119.26 124.59 2qut h ALA 215 Ca 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2qut h ALA 215 Cb 0.68 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2qut h ALA 215 CO 0.05 0.40 0.03 -0.07 0.00 0.00 0.00 179.25 179.66 2qut h LEU 216 N 0.85 0.37 -0.12 0.00 3.38 -0.98 -1.05 115.31 117.76 2qut h LEU 216 Ca 0.20 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 2qut h LEU 216 Cb 0.19 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2qut h LEU 216 CO -0.02 0.41 -0.21 -1.28 0.09 0.00 0.00 178.44 177.44 2qut h SER 217 N 0.40 0.38 -0.40 -0.43 0.87 -0.47 -0.03 113.55 113.87 2qut h SER 217 Ca 0.09 -0.55 0.05 0.00 -1.23 0.00 0.00 61.79 60.16 2qut h SER 217 Cb 0.22 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 2qut h SER 217 CO 0.00 0.86 0.27 0.44 -0.53 0.00 0.00 176.83 177.87 2qut h ASP 218 N -0.08 0.28 -0.46 6.23 3.32 -0.56 -1.03 116.42 124.12 2qut h ASP 218 Ca 0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2qut h ASP 218 Cb 0.78 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2qut h ASP 218 CO 0.05 0.19 0.00 1.41 -1.72 0.00 0.00 179.24 179.16 2qut n HIS 219 N -4.48 0.67 -3.56 4.55 8.25 -0.44 -4.95 115.22 115.27 2qut n HIS 219 Ca 0.05 -0.32 -0.22 0.00 -0.26 0.00 0.00 57.72 56.97 2qut n HIS 219 Cb 0.24 -0.02 0.08 0.00 1.12 0.00 0.00 29.99 31.41 2qut n HIS 219 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2qut n HIS 220 N 0.85 -2.58 -2.87 4.41 8.25 -0.39 -4.90 115.22 117.98 2qut n HIS 220 Ca 0.16 0.98 -0.40 0.00 -0.26 0.00 0.00 57.72 58.19 2qut n HIS 220 Cb 0.42 -5.00 -0.05 0.00 1.12 0.00 0.00 29.99 26.49 2qut n HIS 220 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qut s ILE 221 N -3.35 4.60 -0.86 1.59 -1.09 -0.05 -4.89 121.20 117.16 2qut s ILE 221 Ca 0.36 1.83 -0.24 0.00 -2.23 0.00 0.00 60.65 60.36 2qut s ILE 221 Cb -0.16 -4.21 0.05 0.00 -1.58 0.00 0.00 42.46 36.57 2qut s ILE 221 CO 0.74 0.36 1.29 -0.47 -1.23 0.00 0.00 174.94 175.63 2qut s TYR 222 N -0.12 2.51 0.31 3.97 5.04 -1.26 -4.84 117.35 122.96 2qut s TYR 222 Ca 0.42 -0.55 0.05 0.00 -2.44 0.00 0.00 57.07 54.55 2qut s TYR 222 Cb -0.22 -4.58 0.68 0.00 0.35 0.00 0.00 41.96 38.19 2qut s TYR 222 CO 0.26 -1.92 1.82 -0.07 -1.34 0.00 0.00 175.55 174.31 2qut h LEU 223 N 12.48 0.81 -2.76 6.97 3.38 -1.94 -0.05 115.31 134.21 2qut h LEU 223 Ca -0.05 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qut h LEU 223 Cb 1.03 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2qut h LEU 223 CO 1.31 0.38 -0.00 -0.33 0.09 0.00 0.00 178.44 179.89 2qut h GLU 224 N 0.85 0.00 -0.89 1.13 3.07 -1.90 -1.85 114.58 114.99 2qut h GLU 224 Ca 0.51 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.79 2qut h GLU 224 Cb 0.69 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 28.30 2qut h GLU 224 CO -0.29 0.00 0.44 0.41 -1.40 0.00 0.00 179.01 178.18 2qut n GLY 225 N -1.06 5.67 3.35 -3.84 0.00 -0.03 -4.36 105.19 104.92 2qut n GLY 225 Ca -0.03 -2.08 -0.11 0.00 0.00 0.00 0.00 46.02 43.81 2qut n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qut s THR 226 N -4.40 0.02 0.06 2.61 -4.23 -0.70 -3.97 115.64 105.04 2qut s THR 226 Ca 0.59 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 2qut s THR 226 Cb 0.48 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 72.00 2qut s THR 226 CO 0.02 -0.07 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.21 2qut s LEU 227 N -3.08 2.39 -0.11 4.79 1.43 -1.06 -3.60 118.68 119.44 2qut s LEU 227 Ca 0.30 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 2qut s LEU 227 Cb 0.04 -0.01 -0.02 0.00 0.03 0.00 0.00 46.19 46.23 2qut s LEU 227 CO 0.09 -0.39 -0.15 -0.22 0.23 0.00 0.00 176.35 175.91 2qut s LEU 228 N -2.32 2.62 -0.61 1.79 2.96 -0.40 -0.88 118.68 121.84 2qut s LEU 228 Ca -0.00 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2qut s LEU 228 Cb -0.01 -1.56 0.15 0.00 0.50 0.00 0.00 46.19 45.26 2qut s LEU 228 CO -0.04 0.21 0.38 -0.75 -1.32 0.00 0.00 176.35 174.83 2qut s LYS 229 N 0.09 2.18 0.38 1.98 2.20 -0.01 0.25 119.74 126.82 2qut s LYS 229 Ca -0.07 -2.97 0.07 0.00 -0.36 0.00 0.00 55.97 52.65 2qut s LYS 229 Cb -0.15 -3.29 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 2qut s LYS 229 CO 0.05 -1.21 0.47 -1.25 -0.36 0.00 0.00 175.35 173.04 2qut s PRO 230 N -0.87 2.86 0.53 4.03 0.04 -1.26 -3.78 135.00 136.54 2qut s PRO 230 Ca 0.22 -1.23 -0.17 0.00 0.04 0.00 0.00 61.00 59.86 2qut s PRO 230 Cb -0.14 -2.67 -0.07 0.00 0.04 0.00 0.00 34.50 31.66 2qut s PRO 230 CO -0.09 -0.10 1.01 0.54 0.04 0.00 0.00 177.00 178.40 2qut s ASN 231 N -4.21 6.32 0.64 6.66 4.22 -1.26 -2.52 114.94 124.79 2qut s ASN 231 Ca 0.49 1.71 -0.11 0.00 -2.14 0.00 0.00 52.86 52.81 2qut s ASN 231 Cb -0.08 -2.53 -0.03 0.00 1.28 0.00 0.00 41.25 39.89 2qut s ASN 231 CO 0.31 -0.80 1.04 -0.04 -2.04 0.00 0.00 177.10 175.57 2qut s MET 232 N -3.89 3.43 -0.38 3.55 -1.94 -1.26 -4.95 119.30 113.86 2qut s MET 232 Ca 0.62 0.73 -0.23 0.00 -1.71 0.00 0.00 55.69 55.11 2qut s MET 232 Cb -0.13 -2.06 0.01 0.00 2.01 0.00 0.00 34.83 34.66 2qut s MET 232 CO 0.30 -0.69 0.76 0.08 -0.01 0.00 0.00 175.02 175.46 2qut s VAL 233 N -3.19 4.75 0.10 -6.03 1.01 -1.26 -5.01 120.40 110.77 2qut s VAL 233 Ca 0.56 0.75 -0.03 0.00 0.00 0.00 0.00 61.98 63.26 2qut s VAL 233 Cb -0.11 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 2qut s VAL 233 CO 0.54 -0.46 0.08 0.42 0.00 0.00 0.00 175.10 175.68 2qut s THR 234 N 3.05 0.14 1.01 3.92 -4.23 -1.26 -4.47 115.64 113.80 2qut s THR 234 Ca 0.30 -1.70 -0.13 0.00 -1.18 0.00 0.00 61.69 58.97 2qut s THR 234 Cb -0.13 -1.76 0.19 0.00 1.34 0.00 0.00 72.50 72.14 2qut s THR 234 CO 0.17 -0.63 1.11 -2.16 -0.54 0.00 0.00 174.62 172.57 2qut s PRO 235 N -3.97 0.35 0.83 3.99 0.04 -1.26 -4.60 135.00 130.38 2qut s PRO 235 Ca 0.15 0.38 -0.12 0.00 0.04 0.00 0.00 61.00 61.46 2qut s PRO 235 Cb 0.07 -1.74 0.10 0.00 0.04 0.00 0.00 34.50 32.96 2qut s PRO 235 CO -0.04 -2.76 1.15 0.20 0.04 0.00 0.00 177.00 175.60 2qut s GLY 236 N -3.63 1.87 0.58 0.56 0.00 0.26 -4.89 107.32 102.08 2qut s GLY 236 Ca 0.66 0.60 0.34 0.00 0.00 0.00 0.00 44.72 46.32 2qut s GLY 236 CO 0.57 1.00 2.17 0.84 0.00 0.00 0.00 173.10 177.68 2qut h HIS 237 N -1.28 0.00 -0.36 1.90 2.76 -0.10 -2.14 115.15 115.93 2qut h HIS 237 Ca -0.44 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 2qut h HIS 237 Cb 1.27 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.23 2qut h HIS 237 CO 0.51 0.05 0.00 0.00 -1.30 0.00 0.00 177.93 177.19 2qut n ALA 238 N -2.19 2.61 -1.90 5.26 0.00 0.14 -4.99 120.51 119.45 2qut n ALA 238 Ca -0.02 -1.65 -0.41 0.00 0.00 0.00 0.00 53.44 51.36 2qut n ALA 238 Cb 0.18 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 2qut n ALA 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qut h THR 240 N 3.41 1.68 -2.74 0.00 1.35 -1.90 -3.46 112.91 111.26 2qut h THR 240 Ca -0.46 -2.03 -0.59 0.00 -0.55 0.00 0.00 66.41 62.77 2qut h THR 240 Cb 1.22 3.06 0.10 0.00 -1.73 0.00 0.00 68.15 70.80 2qut h THR 240 CO 0.71 0.53 0.36 1.67 -0.25 0.00 0.00 175.52 178.54 2qut n GLN 241 N -4.66 1.72 -3.96 4.72 7.27 -1.26 -4.98 117.38 116.24 2qut n GLN 241 Ca -0.10 0.61 -0.33 0.00 0.07 0.00 0.00 57.00 57.24 2qut n GLN 241 Cb 0.43 -2.11 -0.05 0.00 2.41 0.00 0.00 30.24 30.91 2qut n GLN 241 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2qut s LYS 242 N -1.33 3.34 0.08 3.69 -0.14 -1.26 -5.03 119.74 119.08 2qut s LYS 242 Ca 0.61 -0.35 0.03 0.00 -1.36 0.00 0.00 55.97 54.90 2qut s LYS 242 Cb -0.66 -3.04 -0.03 0.00 -1.68 0.00 0.00 37.83 32.42 2qut s LYS 242 CO 0.58 0.68 -0.10 0.71 -0.76 0.00 0.00 175.35 176.46 2qut s TYR 243 N -1.27 0.95 0.65 3.18 2.02 -1.26 -5.15 117.35 116.47 2qut s TYR 243 Ca 0.25 -0.60 -0.04 0.00 -0.37 0.00 0.00 57.07 56.31 2qut s TYR 243 Cb -0.12 -0.54 0.05 0.00 -0.40 0.00 0.00 41.96 40.95 2qut s TYR 243 CO 0.16 -0.03 0.94 -1.54 -1.57 0.00 0.00 175.55 173.51 2qut s SER 244 N -2.12 5.03 0.34 2.29 1.04 -1.26 -4.95 113.70 114.07 2qut s SER 244 Ca 0.00 0.37 0.13 0.00 0.48 0.00 0.00 55.95 56.93 2qut s SER 244 Cb -0.05 -1.13 0.62 0.00 0.10 0.00 0.00 66.02 65.56 2qut s SER 244 CO 0.00 -1.41 1.76 0.45 0.98 0.00 0.00 173.24 175.01 2qut h HIS 245 N -0.37 0.00 -0.26 5.02 3.86 -1.99 -2.26 115.15 119.14 2qut h HIS 245 Ca -0.44 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 58.67 2qut h HIS 245 Cb 1.30 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.76 2qut h HIS 245 CO 0.36 0.44 -0.25 0.93 0.86 0.00 0.00 177.93 180.28 2qut h GLU 246 N 0.00 0.49 -0.13 2.45 3.07 -1.93 -0.89 114.58 117.64 2qut h GLU 246 Ca -0.00 -0.18 -0.15 0.00 -0.50 0.00 0.00 59.36 58.52 2qut h GLU 246 Cb 0.81 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.69 2qut h GLU 246 CO 0.06 0.70 -0.49 0.93 -1.40 0.00 0.00 179.01 178.81 2qut h GLU 247 N 0.44 0.57 -0.78 2.33 5.08 -1.86 -0.85 114.58 119.51 2qut h GLU 247 Ca 0.06 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2qut h GLU 247 Cb 0.66 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 2qut h GLU 247 CO 0.05 1.06 0.49 0.82 -1.00 0.00 0.00 179.01 180.43 2qut h ILE 248 N 0.21 1.21 -0.42 3.13 2.04 -1.29 -0.72 117.51 121.67 2qut h ILE 248 Ca -0.02 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 2qut h ILE 248 Cb 1.13 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2qut h ILE 248 CO 0.10 0.21 0.16 0.00 0.00 0.00 0.00 178.15 178.63 2qut h ALA 249 N 1.27 0.54 -0.51 1.87 0.00 -1.08 -0.71 119.26 120.65 2qut h ALA 249 Ca 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2qut h ALA 249 Cb -0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2qut h ALA 249 CO -0.06 0.16 0.23 1.98 0.00 0.00 0.00 179.25 181.57 2qut h MET 250 N 0.53 0.73 -0.56 0.00 1.85 -0.76 -0.27 114.93 116.46 2qut h MET 250 Ca 0.14 -0.11 -0.11 0.00 -0.61 0.00 0.00 59.70 59.00 2qut h MET 250 Cb 0.21 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.09 2qut h MET 250 CO -0.01 0.62 -0.08 0.00 -0.40 0.00 0.00 176.91 177.04 2qut h ALA 251 N 1.07 0.79 0.19 0.39 0.00 -1.02 -0.95 119.26 119.75 2qut h ALA 251 Ca 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2qut h ALA 251 Cb 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2qut h ALA 251 CO -0.02 0.67 -0.09 1.15 0.00 0.00 0.00 179.25 180.96 2qut h THR 252 N 0.93 0.90 -0.38 0.00 2.02 -0.94 -1.77 112.91 113.67 2qut h THR 252 Ca 0.15 -0.57 -0.06 0.00 0.77 0.00 0.00 66.41 66.70 2qut h THR 252 Cb 0.65 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 2qut h THR 252 CO 0.04 0.13 -0.02 0.58 0.37 0.00 0.00 175.52 176.62 2qut h VAL 253 N -0.55 1.22 -0.26 3.16 2.07 -1.05 -1.69 116.25 119.15 2qut h VAL 253 Ca -0.03 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 2qut h VAL 253 Cb 0.41 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2qut h VAL 253 CO 0.04 0.31 -0.05 0.74 0.02 0.00 0.00 177.57 178.63 2qut h THR 254 N 0.58 1.28 -0.51 2.57 2.02 -1.16 -0.45 112.91 117.23 2qut h THR 254 Ca 0.12 -1.05 0.05 0.00 0.77 0.00 0.00 66.41 66.30 2qut h THR 254 Cb 0.40 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 2qut h THR 254 CO 0.02 0.33 0.25 0.00 0.37 0.00 0.00 175.52 176.48 2qut h ALA 255 N 0.78 0.66 -0.46 6.16 0.00 -1.02 -1.88 119.26 123.49 2qut h ALA 255 Ca 0.07 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2qut h ALA 255 Cb 0.51 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2qut h ALA 255 CO 0.02 -0.11 0.03 -0.07 0.00 0.00 0.00 179.25 179.12 2qut h LEU 256 N 0.48 0.78 -2.10 0.00 3.38 -1.17 -2.86 115.31 113.82 2qut h LEU 256 Ca 0.23 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2qut h LEU 256 Cb 0.16 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2qut h LEU 256 CO -0.17 0.87 -0.07 0.03 0.09 0.00 0.00 178.44 179.18 2qut h ARG 257 N 0.65 0.00 -0.00 1.13 3.08 -0.72 0.17 114.38 118.69 2qut h ARG 257 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2qut h ARG 257 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2qut h ARG 257 CO 0.02 0.07 -0.33 0.54 -1.07 0.00 0.00 179.97 179.21 2qut n ARG 258 N -3.88 0.46 0.00 0.04 1.74 -0.74 -4.61 116.66 109.67 2qut n ARG 258 Ca -0.02 -0.26 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 2qut n ARG 258 Cb 0.17 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 2qut n ARG 258 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2qut n THR 259 N -1.04 0.00 -3.05 0.55 -2.24 -0.84 -4.98 114.28 102.68 2qut n THR 259 Ca 0.10 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.45 2qut n THR 259 Cb 0.34 -0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.28 2qut n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qut s VAL 260 N -1.24 4.76 0.41 2.28 1.01 0.54 -4.77 120.40 123.39 2qut s VAL 260 Ca 0.00 0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.98 2qut s VAL 260 Cb 0.00 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 2qut s VAL 260 CO 0.00 -0.64 1.18 -2.65 0.00 0.00 0.00 175.10 172.99 2qut n PRO 261 N 6.44 1.72 0.11 2.72 -0.02 -1.26 -4.83 135.00 139.88 2qut n PRO 261 Ca -0.00 0.61 0.19 0.00 -2.02 0.00 0.00 63.50 62.28 2qut n PRO 261 Cb 0.48 -2.25 0.75 0.00 -0.02 0.00 0.00 33.50 32.46 2qut n PRO 261 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2qut h PRO 262 N 1.92 0.00 0.00 0.52 0.11 -1.96 -1.59 132.00 131.00 2qut h PRO 262 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2qut h PRO 262 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 2qut h PRO 262 CO 0.59 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.33 2qut h ALA 263 N 1.69 1.40 -2.51 -0.75 0.00 -1.91 -3.42 119.26 113.76 2qut h ALA 263 Ca 0.17 -0.05 -0.53 0.00 0.00 0.00 0.00 54.91 54.51 2qut h ALA 263 Cb 0.81 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.63 2qut h ALA 263 CO -0.00 0.06 1.12 0.08 0.00 0.00 0.00 179.25 180.51 2qut s VAL 264 N -4.42 2.54 0.23 0.00 1.01 -0.60 -3.30 120.40 115.86 2qut s VAL 264 Ca -0.04 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 2qut s VAL 264 Cb 0.14 -3.02 0.15 0.00 0.00 0.00 0.00 36.38 33.65 2qut s VAL 264 CO 0.56 -0.00 1.78 0.74 0.00 0.00 0.00 175.10 178.18 2qut h THR 265 N 4.73 1.25 -2.06 3.92 2.02 -1.66 -3.44 112.91 117.67 2qut h THR 265 Ca -0.46 -0.85 0.10 0.00 0.77 0.00 0.00 66.41 65.97 2qut h THR 265 Cb 1.22 0.44 -0.18 0.00 -1.74 0.00 0.00 68.15 67.90 2qut h THR 265 CO 0.95 0.33 0.50 -0.83 0.37 0.00 0.00 175.52 176.84 2qut s GLY 266 N -3.46 -0.41 -0.21 2.16 0.00 -1.26 -3.31 107.32 100.82 2qut s GLY 266 Ca -0.12 1.31 -0.03 0.00 0.00 0.00 0.00 44.72 45.89 2qut s GLY 266 CO 0.83 0.55 -0.08 0.14 0.00 0.00 0.00 173.10 174.55 2qut s VAL 267 N -2.48 3.10 -0.49 1.40 1.01 0.10 -1.28 120.40 121.77 2qut s VAL 267 Ca 0.03 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 2qut s VAL 267 Cb -0.01 -2.39 0.13 0.00 0.00 0.00 0.00 36.38 34.11 2qut s VAL 267 CO -0.05 0.45 0.26 0.42 0.00 0.00 0.00 175.10 176.18 2qut s THR 268 N 1.42 3.11 0.35 3.92 -4.23 0.14 -0.73 115.64 119.61 2qut s THR 268 Ca 0.05 -2.64 -0.29 0.00 -1.18 0.00 0.00 61.69 57.63 2qut s THR 268 Cb -0.14 -3.12 -0.11 0.00 1.34 0.00 0.00 72.50 70.47 2qut s THR 268 CO -0.05 -0.76 1.52 -0.36 -0.54 0.00 0.00 174.62 174.43 2qut s PHE 269 N 0.44 2.64 0.35 3.99 0.08 -0.60 -4.16 117.98 120.71 2qut s PHE 269 Ca 0.13 1.05 -0.14 0.00 0.12 0.00 0.00 56.93 58.09 2qut s PHE 269 Cb -0.22 -4.03 -0.09 0.00 -0.57 0.00 0.00 43.02 38.11 2qut s PHE 269 CO -0.04 -3.16 0.76 -0.48 -0.10 0.00 0.00 175.22 172.20 2qut s LEU 270 N -1.60 4.00 0.27 -0.37 0.05 -1.05 -1.57 118.68 118.41 2qut s LEU 270 Ca 0.56 1.28 0.20 0.00 0.05 0.00 0.00 54.13 56.21 2qut s LEU 270 Cb -0.47 -4.10 0.09 0.00 -2.05 0.00 0.00 46.19 39.66 2qut s LEU 270 CO 0.58 -0.26 1.28 0.77 -0.55 0.00 0.00 176.35 178.17 2qut h SER 271 N 2.02 0.00 -7.05 1.48 4.64 -1.92 -3.41 113.55 109.31 2qut h SER 271 Ca -0.48 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.24 2qut h SER 271 Cb 1.18 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.99 2qut h SER 271 CO 0.65 0.23 -0.92 0.61 -0.87 0.00 0.00 176.83 176.53 2qut n GLY 272 N 1.21 -0.29 0.32 -0.77 0.00 -1.26 -1.52 105.19 102.88 2qut n GLY 272 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2qut n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qut n GLY 273 N -1.71 0.37 3.77 -0.02 0.00 -1.26 -4.80 105.19 101.54 2qut n GLY 273 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2qut n GLY 273 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qut s GLN 274 N -0.89 2.82 0.83 1.61 -0.21 -0.57 -0.48 119.66 122.76 2qut s GLN 274 Ca 0.00 1.47 -0.11 0.00 0.02 0.00 0.00 55.36 56.74 2qut s GLN 274 Cb 0.00 -1.95 0.09 0.00 1.00 0.00 0.00 33.01 32.15 2qut s GLN 274 CO 0.00 -1.25 1.09 -1.54 -2.12 0.00 0.00 175.29 171.47 2qut s SER 275 N -2.39 4.06 0.24 5.90 1.04 -1.26 -4.13 113.70 117.16 2qut s SER 275 Ca 0.69 1.59 -0.06 0.00 0.48 0.00 0.00 55.95 58.65 2qut s SER 275 Cb -0.22 -2.29 0.33 0.00 0.10 0.00 0.00 66.02 63.93 2qut s SER 275 CO 0.39 -2.28 1.83 -0.33 0.98 0.00 0.00 173.24 173.84 2qut h GLU 276 N -1.30 0.84 -0.20 4.02 5.08 -1.70 0.93 114.58 122.24 2qut h GLU 276 Ca -0.47 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 57.64 2qut h GLU 276 Cb 1.26 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.33 2qut h GLU 276 CO 0.54 0.56 -0.66 1.49 -1.00 0.00 0.00 179.01 179.94 2qut h GLU 277 N 0.86 0.81 -0.57 2.33 4.57 -1.44 -2.71 114.58 118.43 2qut h GLU 277 Ca 0.36 -0.59 -0.02 0.00 -1.18 0.00 0.00 59.36 57.93 2qut h GLU 277 Cb 0.22 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 2qut h GLU 277 CO -0.19 1.21 0.29 1.49 -1.18 0.00 0.00 179.01 180.63 2qut h GLU 278 N 0.55 0.82 -0.77 1.92 4.57 -1.63 -0.02 114.58 120.03 2qut h GLU 278 Ca -0.02 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.01 2qut h GLU 278 Cb 1.28 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.68 2qut h GLU 278 CO 0.14 0.65 0.35 0.00 -1.18 0.00 0.00 179.01 178.97 2qut h ALA 279 N 1.12 0.99 -0.16 2.92 0.00 -0.84 -0.62 119.26 122.67 2qut h ALA 279 Ca 0.20 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2qut h ALA 279 Cb 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2qut h ALA 279 CO -0.03 0.57 -0.19 0.77 0.00 0.00 0.00 179.25 180.38 2qut h SER 280 N 1.09 0.45 -0.76 0.00 0.02 -1.19 -2.06 113.55 111.10 2qut h SER 280 Ca 0.26 -0.50 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 2qut h SER 280 Cb 0.15 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 2qut h SER 280 CO -0.03 0.85 0.37 0.40 -1.14 0.00 0.00 176.83 177.28 2qut h ILE 281 N 0.05 1.24 -0.33 3.27 2.04 -0.87 -0.70 117.51 122.21 2qut h ILE 281 Ca 0.02 -0.68 -0.08 0.00 1.00 0.00 0.00 64.86 65.12 2qut h ILE 281 Cb 0.74 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2qut h ILE 281 CO 0.05 0.29 -0.12 0.78 0.00 0.00 0.00 178.15 179.14 2qut h ASN 282 N 1.07 0.69 -0.79 1.72 2.35 -1.13 -0.93 115.58 118.55 2qut h ASN 282 Ca 0.26 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 2qut h ASN 282 Cb 0.11 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 2qut h ASN 282 CO -0.03 0.92 0.45 0.25 -1.65 0.00 0.00 177.43 177.37 2qut h LEU 283 N 0.45 0.97 -0.29 1.61 5.85 -1.15 0.12 115.31 122.86 2qut h LEU 283 Ca 0.08 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2qut h LEU 283 Cb 0.64 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2qut h LEU 283 CO 0.04 0.77 0.05 -1.13 -0.34 0.00 0.00 178.44 177.83 2qut h ASN 284 N 1.11 0.46 -0.53 1.25 -0.73 -0.95 -1.90 115.58 114.29 2qut h ASN 284 Ca 0.28 -0.26 -0.03 0.00 1.87 0.00 0.00 56.30 58.16 2qut h ASN 284 Cb -0.00 -0.12 -0.03 0.00 0.27 0.00 0.00 38.32 38.44 2qut h ASN 284 CO -0.05 0.60 0.23 0.00 -0.37 0.00 0.00 177.43 177.85 2qut h ALA 285 N 0.88 1.33 -0.52 1.57 0.00 -0.55 -1.88 119.26 120.09 2qut h ALA 285 Ca 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2qut h ALA 285 Cb 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2qut h ALA 285 CO 0.01 0.50 0.29 0.82 0.00 0.00 0.00 179.25 180.87 2qut h ILE 286 N 0.82 1.17 0.00 0.00 2.04 -0.47 -0.07 117.51 121.00 2qut h ILE 286 Ca 0.20 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2qut h ILE 286 Cb 0.16 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2qut h ILE 286 CO -0.02 0.18 0.00 0.78 0.00 0.00 0.00 178.15 179.09 2qut h ASN 287 N 0.69 0.00 0.17 1.72 2.35 -0.84 -2.78 115.58 116.89 2qut h ASN 287 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2qut h ASN 287 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2qut h ASN 287 CO -0.03 0.00 -1.24 0.29 -1.65 0.00 0.00 177.43 174.80 2qut n LYS 288 N -2.33 0.26 -1.65 0.81 5.02 -0.76 -4.74 118.16 114.77 2qut n LYS 288 Ca 0.03 -0.05 -0.52 0.00 -2.02 0.00 0.00 58.31 55.75 2qut n LYS 288 Cb 0.29 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 2qut n LYS 288 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qut n PRO 290 N 4.02 1.82 -3.97 0.00 -0.04 -1.26 -4.80 135.00 130.77 2qut n PRO 290 Ca 0.21 -1.11 -0.10 0.00 -0.04 0.00 0.00 63.50 62.47 2qut n PRO 290 Cb 0.20 -2.16 -0.11 0.00 -0.04 0.00 0.00 33.50 31.39 2qut n PRO 290 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qut s LEU 291 N 0.05 2.21 0.04 1.53 1.43 -1.26 -5.12 118.68 117.56 2qut s LEU 291 Ca 0.44 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.80 2qut s LEU 291 Cb 0.16 0.07 -0.07 0.00 0.03 0.00 0.00 46.19 46.38 2qut s LEU 291 CO -0.02 -0.25 1.56 -0.22 0.23 0.00 0.00 176.35 177.65 2qut s LEU 292 N -1.27 4.34 -0.37 1.79 2.96 -1.26 -4.98 118.68 119.90 2qut s LEU 292 Ca -0.13 2.34 0.03 0.00 -0.22 0.00 0.00 54.13 56.15 2qut s LEU 292 Cb -0.09 -3.56 0.11 0.00 0.50 0.00 0.00 46.19 43.15 2qut s LEU 292 CO -0.01 -0.83 0.10 -0.54 -1.32 0.00 0.00 176.35 173.75 2qut s LYS 293 N 2.62 1.43 0.00 1.98 1.02 -1.26 -4.97 119.74 120.56 2qut s LYS 293 Ca 0.70 -1.88 0.12 0.00 0.02 0.00 0.00 55.97 54.94 2qut s LYS 293 Cb -0.36 -2.99 0.74 0.00 -0.52 0.00 0.00 37.83 34.70 2qut s LYS 293 CO 0.30 -0.99 1.20 -0.35 -0.92 0.00 0.00 175.35 174.59 2qut n PRO 294 N 4.12 0.57 -4.17 -1.68 -0.04 -1.26 -4.79 135.00 127.75 2qut n PRO 294 Ca 0.03 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.37 2qut n PRO 294 Cb 0.40 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 2qut n PRO 294 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2qut s TRP 295 N -2.00 0.98 0.31 0.54 0.51 -1.26 -4.91 118.94 113.11 2qut s TRP 295 Ca 0.19 -0.75 -0.29 0.00 -2.12 0.00 0.00 56.10 53.13 2qut s TRP 295 Cb 0.09 -0.55 -0.10 0.00 -0.81 0.00 0.00 33.47 32.09 2qut s TRP 295 CO 0.14 -0.05 1.42 0.00 -0.51 0.00 0.00 176.95 177.95 2qut s ALA 296 N -2.88 3.58 -0.42 0.98 0.00 -1.21 -4.83 121.76 116.97 2qut s ALA 296 Ca 0.08 1.39 0.04 0.00 0.00 0.00 0.00 51.96 53.46 2qut s ALA 296 Cb 0.00 -3.55 0.11 0.00 0.00 0.00 0.00 23.12 19.69 2qut s ALA 296 CO -0.02 -0.81 0.15 -0.51 0.00 0.00 0.00 175.76 174.58 2qut s LEU 297 N -1.32 4.45 0.00 0.00 1.43 -1.26 0.02 118.68 122.00 2qut s LEU 297 Ca 0.54 -2.55 0.00 0.00 -1.03 0.00 0.00 54.13 51.09 2qut s LEU 297 Cb -0.43 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.19 2qut s LEU 297 CO 0.52 -0.31 0.00 1.07 0.23 0.00 0.00 176.35 177.86 2qut n THR 298 N 3.72 0.00 -4.37 5.49 5.66 0.09 -4.67 114.28 120.20 2qut n THR 298 Ca 0.04 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.79 2qut n THR 298 Cb 0.37 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.06 2qut n THR 298 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2qut s PHE 299 N 0.59 2.48 -0.43 1.09 -0.71 -1.26 -1.56 117.98 118.18 2qut s PHE 299 Ca 0.00 -0.28 0.07 0.00 -1.04 0.00 0.00 56.93 55.68 2qut s PHE 299 Cb 0.00 -1.15 0.24 0.00 -1.21 0.00 0.00 43.02 40.90 2qut s PHE 299 CO 0.00 0.59 0.65 0.45 -1.34 0.00 0.00 175.22 175.57 2qut n SER 300 N -0.30 -1.05 -4.83 1.98 2.88 -0.61 0.40 113.62 112.10 2qut n SER 300 Ca -0.09 -2.91 -0.38 0.00 -1.33 0.00 0.00 58.87 54.17 2qut n SER 300 Cb 0.58 0.32 -0.06 0.00 -0.75 0.00 0.00 64.21 64.29 2qut n SER 300 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2qut s TYR 301 N -0.41 3.67 0.00 0.66 2.02 -0.87 -4.25 117.35 118.16 2qut s TYR 301 Ca 0.34 0.87 0.00 0.00 -0.37 0.00 0.00 57.07 57.91 2qut s TYR 301 Cb 0.18 -2.25 0.00 0.00 -0.40 0.00 0.00 41.96 39.50 2qut s TYR 301 CO -0.16 0.59 0.00 0.41 -1.57 0.00 0.00 175.55 174.82 2qut n GLY 302 N 2.09 -0.21 0.25 0.71 0.00 -1.26 -0.71 105.19 106.06 2qut n GLY 302 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 2qut n GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qut h ARG 303 N 0.00 0.84 0.00 1.61 3.08 -1.95 -2.67 114.38 115.29 2qut h ARG 303 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2qut h ARG 303 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.90 2qut h ARG 303 CO 0.00 0.69 0.00 0.00 -1.07 0.00 0.00 179.97 179.59 2qut n ALA 304 N -2.34 1.45 0.18 0.04 0.00 -1.26 -1.39 120.51 117.20 2qut n ALA 304 Ca 0.03 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2qut n ALA 304 Cb 0.13 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 2qut n ALA 304 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qut n LEU 305 N -1.33 0.29 -0.00 0.00 4.77 -1.04 -4.61 117.00 115.08 2qut n LEU 305 Ca 0.03 -0.54 0.02 0.00 -0.03 0.00 0.00 56.01 55.48 2qut n LEU 305 Cb 0.06 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 2qut n LEU 305 CO 0.05 0.07 -0.26 0.00 -1.33 0.00 0.00 177.39 175.92 2qut n GLN 306 N -0.98 3.21 -0.05 3.23 6.02 -0.62 -4.68 117.38 123.52 2qut n GLN 306 Ca 0.01 -0.01 -0.03 0.00 -0.01 0.00 0.00 57.00 56.95 2qut n GLN 306 Cb 0.07 -0.85 -0.02 0.00 1.02 0.00 0.00 30.24 30.45 2qut n GLN 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qut h ALA 307 N 0.37 -0.34 -0.84 -1.58 0.00 -1.51 0.59 119.26 115.95 2qut h ALA 307 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2qut h ALA 307 Cb 0.11 0.89 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2qut h ALA 307 CO 0.00 -0.41 0.55 0.77 0.00 0.00 0.00 179.25 180.16 2qut h SER 308 N -0.07 0.93 -0.15 0.00 0.02 -1.88 -2.54 113.55 109.87 2qut h SER 308 Ca 0.02 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2qut h SER 308 Cb 0.13 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 2qut h SER 308 CO -0.17 0.66 -0.07 0.00 -1.14 0.00 0.00 176.83 176.11 2qut h ALA 309 N 1.33 0.06 -0.34 3.77 0.00 -1.66 0.79 119.26 123.21 2qut h ALA 309 Ca 0.32 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.32 2qut h ALA 309 Cb -0.06 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2qut h ALA 309 CO -0.09 -0.51 0.14 -0.07 0.00 0.00 0.00 179.25 178.71 2qut h LEU 310 N -0.06 0.17 -0.32 0.00 3.38 -0.67 -0.70 115.31 117.12 2qut h LEU 310 Ca 0.08 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2qut h LEU 310 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2qut h LEU 310 CO -0.18 0.14 0.18 0.50 0.09 0.00 0.00 178.44 179.16 2qut h LYS 311 N 0.29 0.45 -0.74 1.13 3.64 -1.04 -1.74 116.57 118.57 2qut h LYS 311 Ca 0.15 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2qut h LYS 311 Cb 0.10 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2qut h LYS 311 CO -0.14 0.37 0.31 0.00 -2.27 0.00 0.00 179.45 177.72 2qut h ALA 312 N 1.05 1.14 0.35 5.00 0.00 -0.63 -3.14 119.26 123.04 2qut h ALA 312 Ca 0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2qut h ALA 312 Cb 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2qut h ALA 312 CO -0.02 0.62 -0.17 2.35 0.00 0.00 0.00 179.25 182.03 2qut h TRP 313 N 1.07 -0.44 0.00 0.00 7.01 -0.90 -3.43 115.95 119.27 2qut h TRP 313 Ca 0.25 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.24 2qut h TRP 313 Cb 0.18 0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 2qut h TRP 313 CO 0.02 -0.14 0.00 0.41 -2.79 0.00 0.00 178.44 175.94 2qut n GLY 314 N -0.62 0.16 1.91 2.65 0.00 -0.67 -1.99 105.19 106.62 2qut n GLY 314 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2qut n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qut n GLY 315 N -0.58 0.80 3.68 -0.02 0.00 -1.26 -4.78 105.19 103.03 2qut n GLY 315 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2qut n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qut s LYS 316 N -0.32 4.08 0.39 1.61 1.02 -0.84 -5.00 119.74 120.69 2qut s LYS 316 Ca 0.00 -0.28 0.10 0.00 0.02 0.00 0.00 55.97 55.81 2qut s LYS 316 Cb 0.00 -3.31 0.89 0.00 -0.52 0.00 0.00 37.83 34.89 2qut s LYS 316 CO 0.00 0.29 1.95 0.87 -0.92 0.00 0.00 175.35 177.54 2qut h LYS 317 N 6.66 0.56 0.00 1.68 1.57 -1.96 -1.81 116.57 123.28 2qut h LYS 317 Ca -0.39 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2qut h LYS 317 Cb 1.16 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 2qut h LYS 317 CO 0.73 0.37 -0.00 1.05 -0.57 0.00 0.00 179.45 181.03 2qut h GLU 318 N 0.58 0.00 -0.68 3.15 4.11 -1.94 -1.82 114.58 117.98 2qut h GLU 318 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.75 2qut h GLU 318 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2qut h GLU 318 CO -0.11 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.07 2qut n ASN 319 N -3.12 4.10 0.10 3.06 3.02 -0.68 -4.58 115.26 117.16 2qut n ASN 319 Ca -0.02 -2.55 -0.10 0.00 -0.03 0.00 0.00 54.58 51.88 2qut n ASN 319 Cb 0.13 -0.59 -0.06 0.00 -0.61 0.00 0.00 39.78 38.66 2qut n ASN 319 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2qut h LEU 320 N 2.86 -0.93 -0.46 3.41 5.85 -1.47 -0.83 115.31 123.73 2qut h LEU 320 Ca 0.00 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.88 2qut h LEU 320 Cb 1.41 0.33 -0.06 0.00 0.37 0.00 0.00 40.66 42.72 2qut h LEU 320 CO 0.29 -0.35 0.14 0.11 -0.34 0.00 0.00 178.44 178.29 2qut h LYS 321 N -0.49 0.29 -0.69 1.25 1.79 -1.86 -1.66 116.57 115.20 2qut h LYS 321 Ca -0.01 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.49 2qut h LYS 321 Cb 0.48 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.01 2qut h LYS 321 CO -0.14 0.19 0.41 0.00 -1.08 0.00 0.00 179.45 178.83 2qut h ALA 322 N 1.32 0.93 -0.24 3.86 0.00 -1.84 -0.89 119.26 122.41 2qut h ALA 322 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2qut h ALA 322 Cb 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2qut h ALA 322 CO -0.25 0.12 0.07 0.00 0.00 0.00 0.00 179.25 179.19 2qut h ALA 323 N 1.34 0.31 -0.12 0.00 0.00 -0.64 -2.83 119.26 117.32 2qut h ALA 323 Ca 0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2qut h ALA 323 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2qut h ALA 323 CO -0.16 -0.05 -0.06 1.96 0.00 0.00 0.00 179.25 180.94 2qut h GLN 324 N 0.21 0.17 -0.56 0.00 4.20 -0.93 -2.62 115.11 115.57 2qut h GLN 324 Ca 0.08 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 2qut h GLN 324 Cb 0.25 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2qut h GLN 324 CO -0.00 0.25 0.11 1.49 -0.67 0.00 0.00 178.83 180.00 2qut h GLU 325 N 0.17 0.92 -0.36 1.46 4.57 -0.94 -0.61 114.58 119.79 2qut h GLU 325 Ca 0.04 -0.24 -0.04 0.00 -1.18 0.00 0.00 59.36 57.94 2qut h GLU 325 Cb 0.22 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2qut h GLU 325 CO 0.01 0.88 0.08 0.93 -1.18 0.00 0.00 179.01 179.73 2qut h GLU 326 N 0.82 0.59 -0.03 1.92 4.39 -1.29 -1.78 114.58 119.19 2qut h GLU 326 Ca 0.17 -0.14 0.01 0.00 0.34 0.00 0.00 59.36 59.74 2qut h GLU 326 Cb 0.39 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2qut h GLU 326 CO 0.01 0.63 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.54 2qut h TYR 327 N 0.44 -0.07 -0.95 4.33 3.20 -1.30 -2.36 116.97 120.25 2qut h TYR 327 Ca 0.11 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.09 2qut h TYR 327 Cb 0.31 0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.54 2qut h TYR 327 CO 0.02 -0.05 0.59 0.28 -1.64 0.00 0.00 178.16 177.36 2qut h VAL 328 N -0.04 0.94 -0.73 1.81 2.07 -0.98 -0.38 116.25 118.94 2qut h VAL 328 Ca 0.03 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 2qut h VAL 328 Cb 0.07 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.70 2qut h VAL 328 CO -0.06 0.18 0.29 0.11 0.02 0.00 0.00 177.57 178.11 2qut h LYS 329 N 0.96 1.09 -0.14 1.57 1.57 -0.85 -0.22 116.57 120.54 2qut h LYS 329 Ca 0.46 -0.19 -0.19 0.00 -1.87 0.00 0.00 60.65 58.86 2qut h LYS 329 Cb 0.41 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2qut h LYS 329 CO -0.25 0.88 -0.70 0.00 -0.57 0.00 0.00 179.45 178.82 2qut h ARG 330 N 1.06 0.60 -0.76 3.15 2.47 -0.82 -1.11 114.38 118.98 2qut h ARG 330 Ca 0.25 -0.46 -0.04 0.00 -1.26 0.00 0.00 59.98 58.46 2qut h ARG 330 Cb 0.20 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.57 2qut h ARG 330 CO -0.02 1.08 0.30 0.00 0.56 0.00 0.00 179.97 181.90 2qut h ALA 331 N 0.80 0.98 -0.40 0.04 0.00 -0.76 0.39 119.26 120.31 2qut h ALA 331 Ca -0.03 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2qut h ALA 331 Cb 1.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2qut h ALA 331 CO 0.13 0.61 -0.15 -0.07 0.00 0.00 0.00 179.25 179.77 2qut h LEU 332 N 1.09 0.82 -0.04 0.00 3.38 -0.97 -0.46 115.31 119.13 2qut h LEU 332 Ca 0.25 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2qut h LEU 332 Cb 0.21 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2qut h LEU 332 CO -0.02 1.02 0.02 0.00 0.09 0.00 0.00 178.44 179.55 2qut h ALA 333 N 0.83 0.05 -0.01 1.53 0.00 -0.85 -2.27 119.26 118.54 2qut h ALA 333 Ca 0.09 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2qut h ALA 333 Cb 0.69 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2qut h ALA 333 CO 0.05 -0.40 -0.38 -0.91 0.00 0.00 0.00 179.25 177.61 2qut h ASN 334 N -0.02 0.02 -0.77 0.00 2.35 -0.90 0.40 115.58 116.66 2qut h ASN 334 Ca 0.01 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 2qut h ASN 334 Cb 0.08 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 2qut h ASN 334 CO -0.00 0.39 0.26 -1.28 -1.65 0.00 0.00 177.43 175.16 2qut h SER 335 N 0.01 1.10 0.19 5.81 0.87 -0.84 -0.76 113.55 119.94 2qut h SER 335 Ca -0.00 -0.20 -0.19 0.00 -1.23 0.00 0.00 61.79 60.17 2qut h SER 335 Cb 0.68 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2qut h SER 335 CO 0.05 1.00 -0.75 -0.07 -0.53 0.00 0.00 176.83 176.53 2qut h LEU 336 N 1.14 0.57 -0.52 2.23 3.38 -0.91 -3.25 115.31 117.94 2qut h LEU 336 Ca 0.25 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2qut h LEU 336 Cb 0.28 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2qut h LEU 336 CO -0.01 1.13 0.34 0.00 0.09 0.00 0.00 178.44 179.98 2qut h ALA 337 N 0.86 0.66 0.00 1.53 0.00 -0.36 0.15 119.26 122.10 2qut h ALA 337 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2qut h ALA 337 Cb 1.33 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2qut h ALA 337 CO 0.13 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.51 2qut n GLN 339 N -0.65 -0.67 -1.92 0.00 6.02 -0.42 -4.65 117.38 115.11 2qut n GLN 339 Ca 0.04 -0.43 -0.15 0.00 -0.01 0.00 0.00 57.00 56.46 2qut n GLN 339 Cb 0.02 -0.93 -0.03 0.00 1.02 0.00 0.00 30.24 30.32 2qut n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qut n GLY 340 N 0.03 0.50 0.51 1.08 0.00 0.00 -4.89 105.19 102.43 2qut n GLY 340 Ca 0.00 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.79 2qut n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qut n LYS 341 N -2.48 1.72 -3.64 1.61 5.02 -0.09 -4.90 118.16 115.40 2qut n LYS 341 Ca -0.16 -2.91 -0.36 0.00 -2.02 0.00 0.00 58.31 52.85 2qut n LYS 341 Cb 0.57 -1.64 -0.07 0.00 -0.02 0.00 0.00 35.03 33.87 2qut n LYS 341 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2qut s TYR 342 N -3.03 3.47 -0.21 2.13 5.04 -1.22 -4.80 117.35 118.73 2qut s TYR 342 Ca 0.37 0.52 -0.02 0.00 -2.44 0.00 0.00 57.07 55.51 2qut s TYR 342 Cb 0.33 -2.23 0.06 0.00 0.35 0.00 0.00 41.96 40.47 2qut s TYR 342 CO 0.01 0.33 0.01 0.99 -1.34 0.00 0.00 175.55 175.56 2qut s THR 343 N 0.18 0.85 0.89 4.34 2.01 -1.26 -4.96 115.64 117.68 2qut s THR 343 Ca 0.14 -0.82 -0.14 0.00 0.31 0.00 0.00 61.69 61.18 2qut s THR 343 Cb -0.12 -1.31 0.02 0.00 0.01 0.00 0.00 72.50 71.10 2qut s THR 343 CO 0.02 -0.21 0.48 -2.65 -0.69 0.00 0.00 174.62 171.57 2qut n PRO 344 N 4.92 -0.12 0.00 4.92 -0.02 -1.26 -5.00 135.00 138.45 2qut n PRO 344 Ca -0.09 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2qut n PRO 344 Cb 0.46 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 2qut n PRO 344 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2qut n SER 345 N -1.19 0.00 0.00 2.55 3.41 -1.26 -5.09 113.62 112.04 2qut n SER 345 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2qut n SER 345 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2qut n SER 345 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qut n GLY 346 N 2.91 0.28 0.00 5.00 0.00 -1.26 -5.14 105.19 106.97 2qut n GLY 346 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qut n GLY 346 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2qut n GLN 347 N 0.00 2.59 -0.96 1.61 7.27 -1.26 -4.79 117.38 121.84 2qut n GLN 347 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2qut n GLN 347 Cb 0.10 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.75 2qut n GLN 347 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2qut n ALA 348 N -3.00 0.00 -1.09 1.69 0.00 -1.26 -4.78 120.51 112.07 2qut n ALA 348 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2qut n ALA 348 Cb 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 2qut n ALA 348 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qut n GLY 349 N -1.33 -1.75 0.02 0.00 0.00 -1.26 -3.47 105.19 97.39 2qut n GLY 349 Ca 0.00 -1.25 0.12 0.00 0.00 0.00 0.00 46.02 44.89 2qut n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qut n ALA 350 N -1.98 3.35 0.25 4.61 0.00 -1.26 -3.66 120.51 121.81 2qut n ALA 350 Ca 0.01 -0.32 0.13 0.00 0.00 0.00 0.00 53.44 53.25 2qut n ALA 350 Cb 0.50 -1.13 0.60 0.00 0.00 0.00 0.00 19.45 19.41 2qut n ALA 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qut h ALA 351 N 2.85 1.06 -0.00 0.00 0.00 -1.97 -1.90 119.26 119.31 2qut h ALA 351 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2qut h ALA 351 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2qut h ALA 351 CO 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 179.25 179.12 2qut n ALA 352 N -2.19 3.11 0.93 0.00 0.00 -1.23 -3.55 120.51 117.58 2qut n ALA 352 Ca -0.00 -0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.24 2qut n ALA 352 Cb 0.35 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 2qut n ALA 352 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qut n SER 353 N -1.29 1.40 -4.79 0.00 2.88 -0.73 -1.06 113.62 110.03 2qut n SER 353 Ca 0.08 -1.20 -0.39 0.00 -1.33 0.00 0.00 58.87 56.03 2qut n SER 353 Cb 0.33 0.76 -0.06 0.00 -0.75 0.00 0.00 64.21 64.49 2qut n SER 353 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2qut s GLU 354 N -2.63 4.32 0.22 -1.46 2.02 -1.11 -4.91 118.70 115.15 2qut s GLU 354 Ca 0.12 0.83 -0.30 0.00 0.02 0.00 0.00 54.97 55.64 2qut s GLU 354 Cb 0.16 -3.28 -0.09 0.00 0.10 0.00 0.00 34.13 31.01 2qut s GLU 354 CO 0.68 0.53 1.36 -1.54 0.02 0.00 0.00 175.26 176.31 2qut s SER 355 N -0.78 6.79 -0.28 -0.19 1.04 -1.26 -4.24 113.70 114.79 2qut s SER 355 Ca 0.31 2.52 0.12 0.00 0.48 0.00 0.00 55.95 59.38 2qut s SER 355 Cb -0.20 -2.62 0.73 0.00 0.10 0.00 0.00 66.02 64.03 2qut s SER 355 CO 0.20 -0.60 1.72 0.18 0.98 0.00 0.00 173.24 175.72 2qut n LEU 356 N 2.44 5.58 -4.76 2.42 4.77 0.36 -4.92 117.00 122.90 2qut n LEU 356 Ca 0.06 -3.14 -0.41 0.00 -0.03 0.00 0.00 56.01 52.49 2qut n LEU 356 Cb 0.42 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 2qut n LEU 356 CO 0.59 0.76 1.12 0.12 -1.33 0.00 0.00 177.39 178.64 2qut s PHE 357 N -2.92 2.90 -0.26 -1.77 2.19 -0.41 -4.34 117.98 113.37 2qut s PHE 357 Ca 0.53 1.07 -0.02 0.00 0.33 0.00 0.00 56.93 58.84 2qut s PHE 357 Cb 0.42 -3.88 0.09 0.00 -1.31 0.00 0.00 43.02 38.34 2qut s PHE 357 CO 0.13 -2.76 0.08 0.42 1.83 0.00 0.00 175.22 174.92 2qut s ILE 358 N -0.38 0.60 0.56 3.12 1.01 -1.26 -5.04 121.20 119.81 2qut s ILE 358 Ca 0.57 -0.99 -0.20 0.00 0.00 0.00 0.00 60.65 60.03 2qut s ILE 358 Cb -0.43 -1.33 -0.06 0.00 0.01 0.00 0.00 42.46 40.65 2qut s ILE 358 CO 0.49 -0.51 1.04 -1.20 0.00 0.00 0.00 174.94 174.76 2qut n SER 359 N 4.98 1.20 -0.51 3.58 7.64 -1.26 -5.07 113.62 124.19 2qut n SER 359 Ca -0.05 0.88 0.06 0.00 1.01 0.00 0.00 58.87 60.77 2qut n SER 359 Cb 0.44 -1.41 0.05 0.00 -1.01 0.00 0.00 64.21 62.28 2qut n SER 359 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62