#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfi n ASP 2 N 0.00 0.00 0.25 7.83 -0.08 -1.26 -0.36 116.55 122.93 2dfi n ASP 2 Ca 0.00 0.86 0.11 0.00 -1.51 0.00 0.00 54.79 54.26 2dfi n ASP 2 Cb 0.00 -0.36 0.65 0.00 2.34 0.00 0.00 41.12 43.75 2dfi n ASP 2 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2dfi h THR 3 N 0.00 0.62 -0.08 5.18 2.02 -2.03 -2.83 112.91 115.79 2dfi h THR 3 Ca 0.00 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 2dfi h THR 3 Cb 0.00 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2dfi h THR 3 CO 0.00 0.15 0.01 -0.33 0.37 0.00 0.00 175.52 175.73 2dfi h GLU 4 N 0.00 0.13 -0.70 6.66 4.39 -1.95 -1.16 114.58 121.95 2dfi h GLU 4 Ca -0.00 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 2dfi h GLU 4 Cb 0.43 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 2dfi h GLU 4 CO 0.02 0.35 0.21 0.87 -1.16 0.00 0.00 179.01 179.30 2dfi h LYS 5 N -0.11 1.09 -0.31 2.33 1.57 -0.50 -1.44 116.57 119.20 2dfi h LYS 5 Ca 0.02 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2dfi h LYS 5 Cb 0.28 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2dfi h LYS 5 CO 0.00 0.94 0.17 1.25 -0.57 0.00 0.00 179.45 181.24 2dfi h LEU 6 N 1.05 0.39 -0.73 2.94 5.85 -1.40 -0.88 115.31 122.53 2dfi h LEU 6 Ca 0.23 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2dfi h LEU 6 Cb 0.31 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2dfi h LEU 6 CO -0.01 0.37 0.40 0.24 -0.34 0.00 0.00 178.44 179.10 2dfi h MET 7 N 0.38 1.01 -0.65 1.25 2.86 -0.97 -1.93 114.93 116.89 2dfi h MET 7 Ca 0.11 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2dfi h MET 7 Cb 0.06 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 2dfi h MET 7 CO -0.02 0.76 0.42 -0.22 1.06 0.00 0.00 176.91 178.91 2dfi h LYS 8 N 1.00 0.86 -0.81 1.72 1.63 -0.95 0.22 116.57 120.24 2dfi h LYS 8 Ca 0.26 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 60.01 2dfi h LYS 8 Cb 0.04 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 31.44 2dfi h LYS 8 CO -0.04 0.59 0.54 0.00 -3.45 0.00 0.00 179.45 177.08 2dfi h ALA 9 N 1.22 1.44 -0.23 5.00 0.00 -0.63 -1.68 119.26 124.38 2dfi h ALA 9 Ca 0.24 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 2dfi h ALA 9 Cb -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2dfi h ALA 9 CO -0.05 0.51 -0.47 0.78 0.00 0.00 0.00 179.25 180.02 2dfi h GLY 10 N 1.08 0.66 0.95 0.00 0.00 -0.59 -1.55 103.07 103.61 2dfi h GLY 10 Ca 0.30 -0.71 0.01 0.00 0.00 0.00 0.00 47.33 46.93 2dfi h GLY 10 CO -0.07 0.64 0.30 -2.09 0.00 0.00 0.00 176.54 175.32 2dfi h GLU 11 N 0.48 0.60 -0.19 4.80 4.81 -0.12 -0.09 114.58 124.87 2dfi h GLU 11 Ca 0.03 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2dfi h GLU 11 Cb 1.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 2dfi h GLU 11 CO 0.09 0.39 -0.06 0.82 -0.73 0.00 0.00 179.01 179.53 2dfi h ILE 12 N 0.61 1.29 -0.98 2.32 2.04 -1.27 -2.41 117.51 119.12 2dfi h ILE 12 Ca 0.18 -1.05 0.06 0.00 1.00 0.00 0.00 64.86 65.06 2dfi h ILE 12 Cb -0.03 1.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 2dfi h ILE 12 CO -0.06 0.32 0.63 0.00 0.00 0.00 0.00 178.15 179.04 2dfi h ALA 13 N 0.72 1.35 0.18 1.87 0.00 -1.06 -0.22 119.26 122.10 2dfi h ALA 13 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2dfi h ALA 13 Cb 0.51 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2dfi h ALA 13 CO 0.02 0.43 -0.08 -0.22 0.00 0.00 0.00 179.25 179.40 2dfi h LYS 14 N 1.15 -0.23 -0.63 0.00 3.11 -0.95 0.79 116.57 119.83 2dfi h LYS 14 Ca 0.42 0.02 0.02 0.00 -2.81 0.00 0.00 60.65 58.29 2dfi h LYS 14 Cb 0.15 0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.39 2dfi h LYS 14 CO -0.17 -0.00 0.41 0.87 -2.81 0.00 0.00 179.45 177.75 2dfi h LYS 15 N -0.42 0.79 -0.39 1.90 1.57 -1.02 -0.86 116.57 118.14 2dfi h LYS 15 Ca -0.02 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 2dfi h LYS 15 Cb 0.33 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2dfi h LYS 15 CO 0.04 0.52 -0.18 0.28 -0.57 0.00 0.00 179.45 179.55 2dfi h VAL 16 N 0.82 1.26 -0.04 0.50 2.07 -1.01 -1.97 116.25 117.88 2dfi h VAL 16 Ca 0.24 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 2dfi h VAL 16 Cb -0.05 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2dfi h VAL 16 CO -0.07 0.42 0.01 -0.09 0.02 0.00 0.00 177.57 177.86 2dfi h ARG 17 N 0.66 0.06 -0.04 1.57 2.43 -0.31 -0.37 114.38 118.39 2dfi h ARG 17 Ca 0.10 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 2dfi h ARG 17 Cb 0.66 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2dfi h ARG 17 CO 0.05 0.24 -0.16 0.93 -1.51 0.00 0.00 179.97 179.52 2dfi h GLU 18 N -0.14 0.06 -0.10 0.20 4.39 -1.09 -2.26 114.58 115.64 2dfi h GLU 18 Ca 0.01 -0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 2dfi h GLU 18 Cb 0.21 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2dfi h GLU 18 CO -0.00 0.23 -0.83 -0.22 -1.16 0.00 0.00 179.01 177.03 2dfi h LYS 19 N 0.06 0.74 -0.59 2.33 1.63 -1.15 -3.03 116.57 116.56 2dfi h LYS 19 Ca 0.01 -0.66 -0.01 0.00 -0.85 0.00 0.00 60.65 59.14 2dfi h LYS 19 Cb 0.33 0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.08 2dfi h LYS 19 CO 0.02 1.26 0.34 0.00 -3.45 0.00 0.00 179.45 177.62 2dfi h ALA 20 N 0.50 1.49 -0.35 5.00 0.00 -0.55 -1.96 119.26 123.39 2dfi h ALA 20 Ca -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2dfi h ALA 20 Cb 1.47 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2dfi h ALA 20 CO 0.17 0.44 0.18 0.82 0.00 0.00 0.00 179.25 180.86 2dfi h ILE 21 N 0.82 1.15 -0.31 0.00 2.04 -1.39 0.12 117.51 119.94 2dfi h ILE 21 Ca 0.21 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2dfi h ILE 21 Cb -0.01 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 2dfi h ILE 21 CO -0.04 0.15 0.10 0.50 0.00 0.00 0.00 178.15 178.86 2dfi h LYS 22 N 0.44 0.43 0.00 2.37 3.64 -1.29 -2.46 116.57 119.69 2dfi h LYS 22 Ca 0.12 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2dfi h LYS 22 Cb 0.08 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2dfi h LYS 22 CO -0.02 0.39 -0.35 -0.07 -2.27 0.00 0.00 179.45 177.13 2dfi h LEU 23 N 0.43 0.00 -5.95 5.20 3.38 -0.83 -3.40 115.31 114.14 2dfi h LEU 23 Ca 0.11 -0.05 -0.56 0.00 0.09 0.00 0.00 57.88 57.47 2dfi h LEU 23 Cb 0.13 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.91 2dfi h LEU 23 CO -0.01 0.03 2.59 0.00 0.09 0.00 0.00 178.44 181.14 2dfi n ALA 24 N -1.97 4.31 -2.59 1.53 0.00 -0.02 -4.84 120.51 116.93 2dfi n ALA 24 Ca 0.03 -2.89 -0.22 0.00 0.00 0.00 0.00 53.44 50.37 2dfi n ALA 24 Cb 0.49 -3.37 -0.04 0.00 0.00 0.00 0.00 19.45 16.52 2dfi n ALA 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2dfi s ARG 25 N 4.06 2.71 0.23 0.00 1.70 -1.26 -4.43 118.95 121.94 2dfi s ARG 25 Ca 0.50 -1.28 -0.32 0.00 -0.47 0.00 0.00 55.73 54.17 2dfi s ARG 25 Cb 0.13 -2.44 -0.13 0.00 -0.57 0.00 0.00 34.95 31.94 2dfi s ARG 25 CO 0.03 0.18 1.59 -2.30 -1.08 0.00 0.00 175.30 173.72 2dfi n PRO 26 N -1.28 2.47 0.00 3.89 -0.02 -1.26 -1.75 135.00 137.05 2dfi n PRO 26 Ca -0.04 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2dfi n PRO 26 Cb 0.59 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 2dfi n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dfi n GLY 27 N 2.98 1.24 3.69 -1.23 0.00 0.13 -4.97 105.19 107.03 2dfi n GLY 27 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2dfi n GLY 27 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dfi s MET 28 N -0.70 4.25 0.11 1.61 0.00 -0.72 -4.62 119.30 119.24 2dfi s MET 28 Ca 0.00 2.07 -0.31 0.00 0.00 0.00 0.00 55.69 57.45 2dfi s MET 28 Cb 0.00 -3.61 -0.08 0.00 0.00 0.00 0.00 34.83 31.15 2dfi s MET 28 CO 0.00 -0.64 1.35 -1.17 0.00 0.00 0.00 175.02 174.57 2dfi s LEU 29 N 2.57 4.37 0.26 4.11 2.96 -1.26 -0.74 118.68 130.96 2dfi s LEU 29 Ca 0.67 2.28 -0.03 0.00 -0.22 0.00 0.00 54.13 56.83 2dfi s LEU 29 Cb -0.34 -3.59 0.41 0.00 0.50 0.00 0.00 46.19 43.17 2dfi s LEU 29 CO 0.28 -0.61 1.87 -0.07 -1.32 0.00 0.00 176.35 176.49 2dfi h LEU 30 N 6.68 0.97 -1.07 -0.68 3.38 -1.45 -1.36 115.31 121.78 2dfi h LEU 30 Ca -0.42 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2dfi h LEU 30 Cb 1.21 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 2dfi h LEU 30 CO 0.85 0.60 0.46 0.25 0.09 0.00 0.00 178.44 180.69 2dfi h LEU 31 N 1.09 0.98 -0.20 1.67 7.12 -1.81 -1.19 115.31 122.98 2dfi h LEU 31 Ca 0.43 -0.07 -0.06 0.00 0.13 0.00 0.00 57.88 58.30 2dfi h LEU 31 Cb 0.21 -0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 40.09 2dfi h LEU 31 CO -0.19 0.78 -0.11 -0.08 -0.13 0.00 0.00 178.44 178.71 2dfi h GLU 32 N 1.12 0.43 -0.40 1.25 4.81 -1.67 -2.30 114.58 117.81 2dfi h GLU 32 Ca 0.29 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2dfi h GLU 32 Cb -0.00 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2dfi h GLU 32 CO -0.05 0.73 0.21 1.25 -0.73 0.00 0.00 179.01 180.42 2dfi h LEU 33 N 0.12 0.33 -0.26 1.64 5.85 -0.96 -0.59 115.31 121.44 2dfi h LEU 33 Ca 0.04 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2dfi h LEU 33 Cb 0.61 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2dfi h LEU 33 CO 0.03 0.23 0.14 0.00 -0.34 0.00 0.00 178.44 178.50 2dfi h ALA 34 N 1.20 0.33 -0.26 1.25 0.00 -1.24 -1.69 119.26 118.85 2dfi h ALA 34 Ca 0.17 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2dfi h ALA 34 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2dfi h ALA 34 CO -0.10 -0.13 0.13 0.93 0.00 0.00 0.00 179.25 180.07 2dfi h GLU 35 N 0.29 0.26 -0.69 0.00 4.39 -1.16 -0.42 114.58 117.25 2dfi h GLU 35 Ca 0.09 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2dfi h GLU 35 Cb 0.08 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 2dfi h GLU 35 CO -0.01 0.17 0.44 0.77 -1.16 0.00 0.00 179.01 179.22 2dfi h SER 36 N 0.27 0.81 0.27 1.42 0.02 -0.98 -0.53 113.55 114.83 2dfi h SER 36 Ca 0.10 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2dfi h SER 36 Cb 0.03 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.37 2dfi h SER 36 CO -0.07 0.62 -0.13 0.40 -1.14 0.00 0.00 176.83 176.51 2dfi h ILE 37 N 0.94 0.78 0.00 3.27 2.04 -1.03 -0.99 117.51 122.52 2dfi h ILE 37 Ca 0.25 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 2dfi h ILE 37 Cb -0.07 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2dfi h ILE 37 CO -0.05 0.08 -0.12 -0.33 0.00 0.00 0.00 178.15 177.73 2dfi h GLU 38 N -0.55 0.00 -0.15 2.37 5.08 -0.97 -1.40 114.58 118.96 2dfi h GLU 38 Ca -0.04 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.10 2dfi h GLU 38 Cb 0.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 2dfi h GLU 38 CO 0.06 0.12 -0.78 -0.22 -1.00 0.00 0.00 179.01 177.19 2dfi h LYS 39 N 0.00 0.79 -0.60 2.33 3.64 -0.97 -3.00 116.57 118.76 2dfi h LYS 39 Ca -0.00 -0.65 -0.04 0.00 -1.27 0.00 0.00 60.65 58.68 2dfi h LYS 39 Cb 0.22 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2dfi h LYS 39 CO 0.02 1.26 0.19 1.98 -2.27 0.00 0.00 179.45 180.63 2dfi h MET 40 N 0.52 0.90 -0.27 1.90 4.05 -0.40 -1.74 114.93 119.89 2dfi h MET 40 Ca -0.06 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.20 2dfi h MET 40 Cb 1.41 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 32.05 2dfi h MET 40 CO 0.16 0.77 0.18 0.82 0.23 0.00 0.00 176.91 179.07 2dfi h ILE 41 N 0.88 1.08 -0.18 1.77 2.04 -1.24 -1.89 117.51 119.97 2dfi h ILE 41 Ca 0.20 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 2dfi h ILE 41 Cb 0.24 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2dfi h ILE 41 CO -0.01 0.08 -0.08 0.24 0.00 0.00 0.00 178.15 178.38 2dfi h MET 42 N 0.36 0.37 0.00 2.37 2.86 -1.37 -0.74 114.93 118.78 2dfi h MET 42 Ca 0.10 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2dfi h MET 42 Cb -0.02 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.63 2dfi h MET 42 CO -0.02 0.67 0.00 1.05 1.06 0.00 0.00 176.91 179.67 2dfi h GLU 43 N 0.05 0.00 -0.01 1.72 4.11 -1.27 0.24 114.58 119.42 2dfi h GLU 43 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 2dfi h GLU 43 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2dfi h GLU 43 CO 0.03 0.00 -0.12 1.28 0.07 0.00 0.00 179.01 180.27 2dfi n LEU 44 N -2.80 0.80 0.00 3.06 4.77 -0.72 -4.91 117.00 117.19 2dfi n LEU 44 Ca -0.01 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2dfi n LEU 44 Cb 0.13 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2dfi n LEU 44 CO 0.19 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2dfi n GLY 45 N 1.25 0.58 2.82 -0.72 0.00 0.84 -5.05 105.19 104.91 2dfi n GLY 45 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 2dfi n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dfi n GLY 46 N -2.00 2.75 2.98 -0.02 0.00 -0.31 -4.99 105.19 103.60 2dfi n GLY 46 Ca 0.00 -2.26 -0.15 0.00 0.00 0.00 0.00 46.02 43.61 2dfi n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dfi s LYS 47 N -3.69 0.41 0.20 1.61 1.02 -1.09 -3.38 119.74 114.81 2dfi s LYS 47 Ca 0.25 -0.31 -0.32 0.00 0.02 0.00 0.00 55.97 55.60 2dfi s LYS 47 Cb -0.02 -0.34 -0.12 0.00 -0.52 0.00 0.00 37.83 36.82 2dfi s LYS 47 CO 0.16 0.09 1.69 -2.30 -0.92 0.00 0.00 175.35 174.06 2dfi n PRO 48 N 2.59 2.63 0.09 -1.68 -0.02 -1.26 -0.58 135.00 136.77 2dfi n PRO 48 Ca -0.15 0.95 0.13 0.00 -2.02 0.00 0.00 63.50 62.40 2dfi n PRO 48 Cb 0.57 -2.77 0.46 0.00 -0.02 0.00 0.00 33.50 31.74 2dfi n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dfi n ALA 49 N 3.79 2.11 -3.60 3.55 0.00 -0.20 -4.69 120.51 121.48 2dfi n ALA 49 Ca 0.16 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.60 2dfi n ALA 49 Cb 0.33 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 2dfi n ALA 49 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2dfi s PHE 50 N -3.13 -0.03 0.26 0.00 -0.71 -1.26 -4.10 117.98 109.01 2dfi s PHE 50 Ca 0.10 -0.01 -0.30 0.00 -1.04 0.00 0.00 56.93 55.68 2dfi s PHE 50 Cb 0.13 0.52 -0.10 0.00 -1.21 0.00 0.00 43.02 42.35 2dfi s PHE 50 CO 0.52 -0.11 1.33 -1.25 -1.34 0.00 0.00 175.22 174.37 2dfi s PRO 51 N -2.18 4.36 -0.01 1.99 0.04 -1.26 -4.58 135.00 133.35 2dfi s PRO 51 Ca 0.13 2.16 -0.33 0.00 0.04 0.00 0.00 61.00 63.01 2dfi s PRO 51 Cb 0.04 -3.13 -0.11 0.00 0.04 0.00 0.00 34.50 31.34 2dfi s PRO 51 CO -0.05 -0.25 1.87 0.28 0.04 0.00 0.00 177.00 178.89 2dfi n VAL 52 N 1.86 0.54 -3.34 -0.36 0.31 -1.26 -4.92 118.33 111.16 2dfi n VAL 52 Ca 0.04 -0.10 -0.38 0.00 -0.01 0.00 0.00 64.34 63.89 2dfi n VAL 52 Cb 0.42 -1.96 -0.06 0.00 -0.91 0.00 0.00 33.84 31.33 2dfi n VAL 52 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2dfi s ASN 53 N 3.68 6.87 -0.37 4.52 0.02 -0.80 -4.58 114.94 124.29 2dfi s ASN 53 Ca 0.89 1.03 0.00 0.00 -1.02 0.00 0.00 52.86 53.76 2dfi s ASN 53 Cb -0.62 -2.31 0.12 0.00 0.02 0.00 0.00 41.25 38.47 2dfi s ASN 53 CO 0.47 0.19 0.18 -0.76 0.02 0.00 0.00 177.10 177.19 2dfi s LEU 54 N -0.47 1.89 -0.24 0.60 1.43 0.43 -2.27 118.68 120.05 2dfi s LEU 54 Ca 0.27 -2.11 -0.05 0.00 -1.03 0.00 0.00 54.13 51.21 2dfi s LEU 54 Cb -0.17 -0.75 -0.00 0.00 0.03 0.00 0.00 46.19 45.30 2dfi s LEU 54 CO 0.15 -0.34 -0.00 -0.44 0.23 0.00 0.00 176.35 175.95 2dfi s SER 55 N 1.06 4.58 -0.11 2.29 0.01 -0.96 -4.68 113.70 115.89 2dfi s SER 55 Ca 0.15 -0.48 -0.09 0.00 1.31 0.00 0.00 55.95 56.83 2dfi s SER 55 Cb -0.21 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 2dfi s SER 55 CO -0.10 -0.07 0.20 -0.63 0.41 0.00 0.00 173.24 173.06 2dfi s ILE 56 N 1.49 5.39 0.00 1.44 1.01 -1.25 -1.20 121.20 128.08 2dfi s ILE 56 Ca 0.05 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.05 2dfi s ILE 56 Cb -0.15 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.83 2dfi s ILE 56 CO -0.01 0.57 0.00 0.59 0.00 0.00 0.00 174.94 176.08 2dfi n ASN 57 N 2.30 0.00 0.13 3.58 3.02 -0.35 -1.41 115.26 122.52 2dfi n ASN 57 Ca -0.18 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.47 2dfi n ASN 57 Cb 0.54 0.00 0.48 0.00 -0.61 0.00 0.00 39.78 40.19 2dfi n ASN 57 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2dfi n GLU 58 N 12.23 0.14 -2.59 3.52 0.00 -1.26 -2.39 120.64 130.28 2dfi n GLU 58 Ca 0.00 0.53 -0.43 0.00 0.00 0.00 0.00 57.16 57.26 2dfi n GLU 58 Cb 0.00 -1.86 -0.02 0.00 0.00 0.00 0.00 31.44 29.56 2dfi n GLU 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2dfi s ILE 59 N -3.39 4.24 0.01 3.84 1.01 -0.50 -0.52 121.20 125.89 2dfi s ILE 59 Ca 0.01 1.29 -0.20 0.00 0.00 0.00 0.00 60.65 61.75 2dfi s ILE 59 Cb 0.07 -4.56 -0.22 0.00 0.01 0.00 0.00 42.46 37.77 2dfi s ILE 59 CO 0.25 -0.92 1.14 0.00 0.00 0.00 0.00 174.94 175.41 2dfi h ALA 60 N 9.12 0.11 -2.31 9.38 0.00 -0.88 -3.32 119.26 131.35 2dfi h ALA 60 Ca -0.23 -0.53 0.23 0.00 0.00 0.00 0.00 54.91 54.37 2dfi h ALA 60 Cb 1.06 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2dfi h ALA 60 CO 1.11 0.32 0.68 0.00 0.00 0.00 0.00 179.25 181.37 2dfi n ALA 61 N -2.57 -2.89 -2.40 0.00 0.00 -1.14 -4.86 120.51 106.65 2dfi n ALA 61 Ca -0.09 -0.87 -0.12 0.00 0.00 0.00 0.00 53.44 52.36 2dfi n ALA 61 Cb 0.63 0.36 0.00 0.00 0.00 0.00 0.00 19.45 20.44 2dfi n ALA 61 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2dfi n HIS 62 N -0.76 -0.78 -4.35 0.00 8.25 -1.26 -1.39 115.22 114.94 2dfi n HIS 62 Ca 0.01 0.12 -0.32 0.00 -0.26 0.00 0.00 57.72 57.26 2dfi n HIS 62 Cb 0.54 -2.81 -0.16 0.00 1.12 0.00 0.00 29.99 28.68 2dfi n HIS 62 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2dfi s TYR 63 N -2.71 2.62 -0.01 4.41 6.14 -1.26 -3.91 117.35 122.63 2dfi s TYR 63 Ca 0.07 -1.44 0.01 0.00 0.64 0.00 0.00 57.07 56.34 2dfi s TYR 63 Cb -0.03 -1.81 0.01 0.00 0.42 0.00 0.00 41.96 40.55 2dfi s TYR 63 CO 0.08 -0.70 -0.02 -0.08 0.64 0.00 0.00 175.55 175.48 2dfi s THR 64 N 1.10 0.18 1.03 4.34 -1.32 -1.26 -0.43 115.64 119.29 2dfi s THR 64 Ca -0.00 -0.04 -0.18 0.00 -1.21 0.00 0.00 61.69 60.26 2dfi s THR 64 Cb -0.14 -0.19 0.01 0.00 -1.51 0.00 0.00 72.50 70.67 2dfi s THR 64 CO -0.08 0.08 -0.14 -2.65 -2.21 0.00 0.00 174.62 169.62 2dfi n PRO 65 N 3.36 -0.77 -3.85 7.08 -0.02 -1.26 -4.92 135.00 134.62 2dfi n PRO 65 Ca -0.17 -0.20 -0.09 0.00 -2.02 0.00 0.00 63.50 61.02 2dfi n PRO 65 Cb 0.56 -1.59 -0.07 0.00 -0.02 0.00 0.00 33.50 32.38 2dfi n PRO 65 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2dfi s TYR 66 N -2.24 0.12 -0.08 6.00 -0.85 -1.26 -4.55 117.35 114.50 2dfi s TYR 66 Ca 0.52 -0.52 -0.31 0.00 -0.52 0.00 0.00 57.07 56.24 2dfi s TYR 66 Cb -0.13 -0.04 -0.09 0.00 0.38 0.00 0.00 41.96 42.07 2dfi s TYR 66 CO 0.69 -0.53 2.01 1.63 -1.52 0.00 0.00 175.55 177.83 2dfi n LYS 67 N 0.05 2.37 0.00 -3.49 4.76 -1.26 -0.80 118.16 119.80 2dfi n LYS 67 Ca -0.16 0.83 0.00 0.00 -2.87 0.00 0.00 58.31 56.11 2dfi n LYS 67 Cb 0.62 -2.91 0.00 0.00 -1.84 0.00 0.00 35.03 30.89 2dfi n LYS 67 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dfi n GLY 68 N 4.88 0.61 3.63 0.72 0.00 -1.26 -5.06 105.19 108.70 2dfi n GLY 68 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 2dfi n GLY 68 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dfi s ASP 69 N -2.18 6.87 -0.02 1.61 3.68 0.02 -4.91 116.67 121.75 2dfi s ASP 69 Ca 0.00 0.95 0.21 0.00 2.13 0.00 0.00 52.55 55.84 2dfi s ASP 69 Cb 0.00 -2.53 0.64 0.00 -1.45 0.00 0.00 42.92 39.58 2dfi s ASP 69 CO 0.00 -0.89 1.54 0.35 0.13 0.00 0.00 175.17 176.30 2dfi n THR 70 N 5.92 1.13 -1.94 1.71 -2.24 -1.26 -4.59 114.28 113.01 2dfi n THR 70 Ca 0.11 -0.99 -0.41 0.00 -2.27 0.00 0.00 64.05 60.49 2dfi n THR 70 Cb 0.47 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 69.08 2dfi n THR 70 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2dfi s THR 71 N -1.22 2.47 0.14 4.28 -4.23 -1.26 -4.92 115.64 110.90 2dfi s THR 71 Ca 0.48 0.40 0.06 0.00 -1.18 0.00 0.00 61.69 61.45 2dfi s THR 71 Cb 0.26 -3.25 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 2dfi s THR 71 CO 0.30 0.06 -0.14 0.68 -0.54 0.00 0.00 174.62 174.98 2dfi s VAL 72 N 0.03 1.47 0.23 2.29 -7.23 -1.26 -1.12 120.40 114.80 2dfi s VAL 72 Ca 0.61 -1.86 -0.30 0.00 -1.81 0.00 0.00 61.98 58.62 2dfi s VAL 72 Cb -0.44 -1.70 -0.09 0.00 0.56 0.00 0.00 36.38 34.72 2dfi s VAL 72 CO 0.44 -0.46 1.19 -0.76 -0.31 0.00 0.00 175.10 175.21 2dfi s LEU 73 N -2.69 4.47 -0.02 1.32 1.02 0.08 -4.87 118.68 117.99 2dfi s LEU 73 Ca 0.13 2.31 0.05 0.00 0.02 0.00 0.00 54.13 56.63 2dfi s LEU 73 Cb -0.04 -3.62 -0.03 0.00 0.02 0.00 0.00 46.19 42.53 2dfi s LEU 73 CO 0.04 -0.34 -0.15 -0.54 0.02 0.00 0.00 176.35 175.37 2dfi s LYS 74 N -0.69 2.36 0.31 1.70 1.02 -1.26 0.21 119.74 123.38 2dfi s LYS 74 Ca 0.51 -0.79 -0.28 0.00 0.02 0.00 0.00 55.97 55.42 2dfi s LYS 74 Cb -0.34 -2.31 -0.13 0.00 -0.52 0.00 0.00 37.83 34.53 2dfi s LYS 74 CO 0.40 0.59 1.18 -1.91 -0.92 0.00 0.00 175.35 174.69 2dfi n GLU 75 N 2.03 1.79 -0.67 1.68 2.13 -1.26 -1.35 120.64 124.99 2dfi n GLU 75 Ca -0.17 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.28 2dfi n GLU 75 Cb 0.52 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 30.11 2dfi n GLU 75 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dfi n GLY 76 N 1.03 0.83 3.74 8.31 0.00 0.22 -4.97 105.19 114.35 2dfi n GLY 76 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2dfi n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dfi s ASP 77 N -2.96 7.38 -0.93 1.61 -0.00 -0.46 -4.76 116.67 116.54 2dfi s ASP 77 Ca 0.00 2.03 -0.18 0.00 -0.00 0.00 0.00 52.55 54.40 2dfi s ASP 77 Cb 0.00 -2.60 0.15 0.00 -0.00 0.00 0.00 42.92 40.46 2dfi s ASP 77 CO 0.00 -0.11 1.10 -0.31 -0.00 0.00 0.00 175.17 175.84 2dfi s TYR 78 N -0.47 3.24 -0.18 4.23 1.51 -1.26 -1.09 117.35 123.33 2dfi s TYR 78 Ca 0.47 -1.53 -0.18 0.00 -1.01 0.00 0.00 57.07 54.82 2dfi s TYR 78 Cb -0.28 -4.22 -0.04 0.00 -0.11 0.00 0.00 41.96 37.32 2dfi s TYR 78 CO 0.34 -1.41 0.48 -1.17 -1.11 0.00 0.00 175.55 172.68 2dfi s LEU 79 N 2.24 4.19 -0.26 -1.29 2.96 -0.52 -1.22 118.68 124.79 2dfi s LEU 79 Ca 0.31 0.67 -0.08 0.00 -0.22 0.00 0.00 54.13 54.81 2dfi s LEU 79 Cb -0.05 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 2dfi s LEU 79 CO -0.09 -0.10 0.11 -1.59 -1.32 0.00 0.00 176.35 173.36 2dfi s LYS 80 N 1.26 3.76 -0.34 1.98 -2.85 -0.34 -0.69 119.74 122.52 2dfi s LYS 80 Ca 0.23 -0.42 -0.11 0.00 -1.00 0.00 0.00 55.97 54.67 2dfi s LYS 80 Cb -0.15 -3.42 -0.00 0.00 -2.06 0.00 0.00 37.83 32.19 2dfi s LYS 80 CO 0.09 -0.17 0.21 0.42 0.10 0.00 0.00 175.35 176.00 2dfi s ILE 81 N 1.61 4.89 -0.25 3.79 1.01 0.93 -2.26 121.20 130.92 2dfi s ILE 81 Ca 0.06 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.26 2dfi s ILE 81 Cb -0.15 -3.57 0.04 0.00 0.01 0.00 0.00 42.46 38.79 2dfi s ILE 81 CO 0.06 -0.05 -0.10 -0.62 0.00 0.00 0.00 174.94 174.22 2dfi s ASP 82 N 1.65 4.19 0.00 3.58 3.68 -0.96 -1.21 116.67 127.60 2dfi s ASP 82 Ca 0.05 -1.08 0.08 0.00 2.13 0.00 0.00 52.55 53.73 2dfi s ASP 82 Cb -0.18 -1.59 -0.02 0.00 -1.45 0.00 0.00 42.92 39.68 2dfi s ASP 82 CO 0.08 -0.14 -0.25 0.68 0.13 0.00 0.00 175.17 175.67 2dfi s VAL 83 N 1.22 1.97 0.02 1.11 -7.23 -0.50 -1.90 120.40 115.09 2dfi s VAL 83 Ca -0.03 -1.15 0.04 0.00 -1.81 0.00 0.00 61.98 59.03 2dfi s VAL 83 Cb -0.18 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.09 2dfi s VAL 83 CO -0.06 0.47 -0.13 -0.83 -0.31 0.00 0.00 175.10 174.24 2dfi s GLY 84 N -0.80 0.71 0.00 2.32 0.00 -1.26 -2.06 107.32 106.23 2dfi s GLY 84 Ca 0.10 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.12 2dfi s GLY 84 CO 0.00 -0.65 -0.01 0.14 0.00 0.00 0.00 173.10 172.59 2dfi s VAL 85 N -0.61 0.04 0.05 1.40 1.01 -0.53 -1.03 120.40 120.73 2dfi s VAL 85 Ca 0.03 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2dfi s VAL 85 Cb -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 2dfi s VAL 85 CO 0.00 -0.11 -0.09 -1.38 0.00 0.00 0.00 175.10 173.53 2dfi s HIS 86 N -0.33 0.78 -0.33 5.22 -3.43 0.26 0.32 115.29 117.77 2dfi s HIS 86 Ca -0.03 -0.49 0.03 0.00 -0.80 0.00 0.00 55.06 53.77 2dfi s HIS 86 Cb -0.02 -0.46 0.10 0.00 -1.43 0.00 0.00 32.58 30.77 2dfi s HIS 86 CO -0.00 -0.05 0.05 0.42 -2.00 0.00 0.00 174.74 173.16 2dfi s ILE 87 N -1.34 1.98 -1.45 -5.38 -1.09 -0.40 -2.69 121.20 110.83 2dfi s ILE 87 Ca -0.08 -2.12 -0.08 0.00 -2.23 0.00 0.00 60.65 56.14 2dfi s ILE 87 Cb -0.10 -2.46 0.02 0.00 -1.58 0.00 0.00 42.46 38.35 2dfi s ILE 87 CO 0.01 -0.59 0.93 0.47 -1.23 0.00 0.00 174.94 174.53 2dfi n ASP 88 N 4.38 -5.97 0.00 3.58 8.00 -1.26 -2.36 116.55 122.92 2dfi n ASP 88 Ca 0.02 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.04 2dfi n ASP 88 Cb 0.42 -4.76 0.00 0.00 -0.02 0.00 0.00 41.12 36.76 2dfi n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dfi n GLY 89 N -1.77 3.48 3.61 0.44 0.00 -1.26 -4.88 105.19 104.81 2dfi n GLY 89 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2dfi n GLY 89 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dfi s PHE 90 N -2.98 3.02 -0.06 1.61 0.08 -1.00 -0.68 117.98 117.97 2dfi s PHE 90 Ca 0.00 0.87 -0.12 0.00 0.12 0.00 0.00 56.93 57.80 2dfi s PHE 90 Cb 0.00 -3.92 -0.05 0.00 -0.57 0.00 0.00 43.02 38.48 2dfi s PHE 90 CO 0.00 -0.95 0.30 0.42 -0.10 0.00 0.00 175.22 174.89 2dfi s ILE 91 N 3.84 5.22 -0.11 0.64 1.01 -1.26 -1.28 121.20 129.27 2dfi s ILE 91 Ca 0.43 0.59 0.03 0.00 0.00 0.00 0.00 60.65 61.70 2dfi s ILE 91 Cb -0.10 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 2dfi s ILE 91 CO 0.22 0.57 -0.20 0.00 0.00 0.00 0.00 174.94 175.53 2dfi s ALA 92 N -0.89 2.35 -0.09 9.38 0.00 0.15 -4.95 121.76 127.71 2dfi s ALA 92 Ca 0.20 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 2dfi s ALA 92 Cb -0.15 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.04 2dfi s ALA 92 CO 0.09 0.29 -0.02 0.34 0.00 0.00 0.00 175.76 176.45 2dfi s ASP 93 N 0.30 1.80 0.11 0.00 2.15 -1.26 -1.45 116.67 118.32 2dfi s ASP 93 Ca -0.15 -0.16 -0.04 0.00 0.43 0.00 0.00 52.55 52.63 2dfi s ASP 93 Cb -0.17 -0.58 -0.03 0.00 -0.30 0.00 0.00 42.92 41.84 2dfi s ASP 93 CO 0.07 -0.17 0.09 0.28 -0.17 0.00 0.00 175.17 175.27 2dfi s THR 94 N 1.88 0.14 0.06 1.71 -1.32 -0.88 -2.78 115.64 114.45 2dfi s THR 94 Ca 0.05 -1.68 -0.27 0.00 -1.21 0.00 0.00 61.69 58.58 2dfi s THR 94 Cb -0.12 -1.74 0.07 0.00 -1.51 0.00 0.00 72.50 69.19 2dfi s THR 94 CO -0.06 -0.63 0.63 0.00 -2.21 0.00 0.00 174.62 172.35 2dfi s ALA 95 N -3.97 -1.66 0.07 11.08 0.00 -0.09 -1.41 121.76 125.79 2dfi s ALA 95 Ca 0.15 0.88 -0.09 0.00 0.00 0.00 0.00 51.96 52.89 2dfi s ALA 95 Cb 0.07 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.63 2dfi s ALA 95 CO -0.04 -0.57 0.21 0.14 0.00 0.00 0.00 175.76 175.50 2dfi s VAL 96 N -2.48 0.13 -0.02 0.00 -7.23 -0.35 -0.20 120.40 110.24 2dfi s VAL 96 Ca -0.05 -1.05 0.04 0.00 -1.81 0.00 0.00 61.98 59.11 2dfi s VAL 96 Cb -0.01 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 2dfi s VAL 96 CO -0.02 -0.58 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.17 2dfi s THR 97 N -3.42 3.16 -0.02 5.32 2.01 -0.93 -0.05 115.64 121.71 2dfi s THR 97 Ca 0.01 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.22 2dfi s THR 97 Cb 0.03 -2.29 0.01 0.00 0.01 0.00 0.00 72.50 70.26 2dfi s THR 97 CO -0.09 0.51 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.63 2dfi s VAL 98 N -0.82 0.32 -0.66 3.82 1.01 0.13 -4.99 120.40 119.21 2dfi s VAL 98 Ca 0.13 -0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 2dfi s VAL 98 Cb -0.11 -0.33 0.11 0.00 0.00 0.00 0.00 36.38 36.05 2dfi s VAL 98 CO 0.03 0.14 0.81 -0.60 0.00 0.00 0.00 175.10 175.48 2dfi s ARG 99 N 0.50 3.15 -0.41 2.72 3.52 -1.26 -1.43 118.95 125.74 2dfi s ARG 99 Ca -0.05 -1.34 -0.39 0.00 -0.13 0.00 0.00 55.73 53.82 2dfi s ARG 99 Cb -0.09 -4.34 -0.16 0.00 -1.56 0.00 0.00 34.95 28.80 2dfi s ARG 99 CO -0.01 -1.61 1.38 0.28 -0.81 0.00 0.00 175.30 174.53 2dfi n VAL 100 N 5.53 0.00 -1.26 7.11 0.31 -0.25 0.28 118.33 130.04 2dfi n VAL 100 Ca -0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.21 2dfi n VAL 100 Cb 0.44 -0.41 -0.04 0.00 -0.91 0.00 0.00 33.84 32.92 2dfi n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dfi n GLY 101 N 3.66 0.98 3.31 2.92 0.00 -1.26 -0.61 105.19 114.19 2dfi n GLY 101 Ca 0.28 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 2dfi n GLY 101 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dfi s MET 102 N -2.51 1.70 0.31 1.61 1.00 0.14 -4.89 119.30 116.67 2dfi s MET 102 Ca 0.00 -1.91 0.07 0.00 0.00 0.00 0.00 55.69 53.85 2dfi s MET 102 Cb 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 34.83 35.15 2dfi s MET 102 CO 0.00 -0.64 0.40 -1.21 0.00 0.00 0.00 175.02 173.57 2dfi s GLU 103 N -3.48 3.08 0.25 2.03 2.02 -1.26 -4.47 118.70 116.86 2dfi s GLU 103 Ca 0.38 -1.03 -0.30 0.00 0.02 0.00 0.00 54.97 54.04 2dfi s GLU 103 Cb 0.02 -2.74 -0.14 0.00 0.10 0.00 0.00 34.13 31.37 2dfi s GLU 103 CO 0.24 0.15 1.13 -1.91 0.02 0.00 0.00 175.26 174.89 2dfi n GLU 104 N -1.52 1.46 -1.61 1.61 2.13 -1.26 -4.79 120.64 116.66 2dfi n GLU 104 Ca -0.02 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.31 2dfi n GLU 104 Cb 0.58 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 30.31 2dfi n GLU 104 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2dfi n ASP 105 N 1.56 1.58 0.18 4.31 5.75 -1.26 -4.96 116.55 123.71 2dfi n ASP 105 Ca 0.11 -0.90 -0.15 0.00 -0.01 0.00 0.00 54.79 53.85 2dfi n ASP 105 Cb 0.30 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.32 2dfi n ASP 105 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2dfi h GLU 106 N 0.00 -0.65 -0.03 0.11 4.39 -1.99 -1.17 114.58 115.24 2dfi h GLU 106 Ca 0.00 0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.78 2dfi h GLU 106 Cb 0.00 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 2dfi h GLU 106 CO 0.00 -0.44 -0.24 1.25 -1.16 0.00 0.00 179.01 178.43 2dfi h LEU 107 N -0.68 -0.71 -0.90 1.33 5.85 -1.97 -1.96 115.31 116.27 2dfi h LEU 107 Ca -0.00 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2dfi h LEU 107 Cb 0.65 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 2dfi h LEU 107 CO -0.13 -0.30 0.58 0.24 -0.34 0.00 0.00 178.44 178.49 2dfi h MET 108 N -0.35 1.08 -0.91 1.25 2.86 -1.94 -2.14 114.93 114.78 2dfi h MET 108 Ca 0.07 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 2dfi h MET 108 Cb 0.45 -0.24 -0.05 0.00 0.06 0.00 0.00 31.60 31.82 2dfi h MET 108 CO -0.24 0.72 0.59 1.49 1.06 0.00 0.00 176.91 180.53 2dfi h GLU 109 N 1.12 1.12 -0.33 1.72 4.81 -0.72 -1.84 114.58 120.46 2dfi h GLU 109 Ca 0.36 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2dfi h GLU 109 Cb 0.03 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 2dfi h GLU 109 CO -0.13 0.74 0.21 0.00 -0.73 0.00 0.00 179.01 179.10 2dfi h ALA 110 N 1.37 0.41 -0.44 2.92 0.00 -0.70 0.15 119.26 122.97 2dfi h ALA 110 Ca 0.36 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2dfi h ALA 110 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2dfi h ALA 110 CO -0.11 -0.11 0.17 0.00 0.00 0.00 0.00 179.25 179.20 2dfi h ALA 111 N 1.10 0.57 -0.42 0.00 0.00 -1.22 -0.99 119.26 118.30 2dfi h ALA 111 Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2dfi h ALA 111 Cb -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2dfi h ALA 111 CO -0.02 0.18 0.11 -0.22 0.00 0.00 0.00 179.25 179.30 2dfi h LYS 112 N 0.57 0.66 -0.08 0.00 3.64 -1.12 -2.43 116.57 117.81 2dfi h LYS 112 Ca 0.15 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 2dfi h LYS 112 Cb 0.20 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2dfi h LYS 112 CO -0.01 0.67 -0.29 0.93 -2.27 0.00 0.00 179.45 178.47 2dfi h GLU 113 N 0.54 0.14 -0.66 1.90 4.39 -0.88 -2.12 114.58 117.89 2dfi h GLU 113 Ca 0.13 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 2dfi h GLU 113 Cb 0.29 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2dfi h GLU 113 CO -0.00 0.43 0.19 0.00 -1.16 0.00 0.00 179.01 178.47 2dfi h ALA 114 N 1.58 0.87 -0.51 3.43 0.00 -0.88 -0.63 119.26 123.12 2dfi h ALA 114 Ca 0.02 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2dfi h ALA 114 Cb 0.59 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2dfi h ALA 114 CO 0.04 0.57 0.05 1.25 0.00 0.00 0.00 179.25 181.15 2dfi h LEU 115 N 0.98 0.84 -0.79 0.00 5.85 -1.01 -1.61 115.31 119.57 2dfi h LEU 115 Ca 0.21 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 2dfi h LEU 115 Cb 0.33 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2dfi h LEU 115 CO -0.00 0.91 -0.04 0.78 -0.34 0.00 0.00 178.44 179.75 2dfi h ASN 116 N 0.74 0.85 -0.69 1.25 2.35 -1.16 -1.81 115.58 117.11 2dfi h ASN 116 Ca 0.15 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 2dfi h ASN 116 Cb 0.45 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 2dfi h ASN 116 CO 0.02 0.94 0.18 0.00 -1.65 0.00 0.00 177.43 176.91 2dfi h ALA 117 N 1.15 1.00 -0.13 -0.83 0.00 -0.86 -0.76 119.26 118.82 2dfi h ALA 117 Ca 0.14 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2dfi h ALA 117 Cb 0.53 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2dfi h ALA 117 CO 0.03 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.87 2dfi h ALA 118 N 1.14 0.18 -0.97 0.00 0.00 -1.06 -2.90 119.26 115.65 2dfi h ALA 118 Ca 0.22 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2dfi h ALA 118 Cb 0.35 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2dfi h ALA 118 CO -0.00 -0.03 0.63 0.82 0.00 0.00 0.00 179.25 180.67 2dfi h ILE 119 N -0.07 1.11 -0.79 0.00 2.04 -1.22 -0.22 117.51 118.37 2dfi h ILE 119 Ca 0.03 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.53 2dfi h ILE 119 Cb 0.52 -0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.39 2dfi h ILE 119 CO 0.02 0.21 0.50 -1.28 0.00 0.00 0.00 178.15 177.60 2dfi h SER 120 N 1.17 0.81 0.38 1.72 0.87 -0.99 -2.32 113.55 115.18 2dfi h SER 120 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 2dfi h SER 120 Cb 0.11 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2dfi h SER 120 CO -0.15 0.55 -0.35 1.33 -0.53 0.00 0.00 176.83 177.68 2dfi n VAL 121 N -4.62 0.00 -2.43 2.23 0.24 -0.86 -4.86 118.33 108.03 2dfi n VAL 121 Ca 0.10 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.34 61.90 2dfi n VAL 121 Cb 0.11 0.29 -0.02 0.00 -1.47 0.00 0.00 33.84 32.74 2dfi n VAL 121 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dfi s ALA 122 N -2.73 3.22 0.16 2.33 0.00 -0.15 -4.91 121.76 119.68 2dfi s ALA 122 Ca 0.18 -0.09 -0.22 0.00 0.00 0.00 0.00 51.96 51.84 2dfi s ALA 122 Cb 0.18 -3.85 0.06 0.00 0.00 0.00 0.00 23.12 19.51 2dfi s ALA 122 CO 0.60 -2.07 0.56 -0.98 0.00 0.00 0.00 175.76 173.87 2dfi s ARG 123 N 4.48 1.26 0.25 0.00 1.70 -1.26 -3.89 118.95 121.49 2dfi s ARG 123 Ca 0.56 -0.54 -0.31 0.00 -0.47 0.00 0.00 55.73 54.98 2dfi s ARG 123 Cb -0.14 0.57 -0.13 0.00 -0.57 0.00 0.00 34.95 34.67 2dfi s ARG 123 CO 0.28 -0.54 1.36 0.00 -1.08 0.00 0.00 175.30 175.32 2dfi n ALA 124 N -0.35 0.95 0.00 7.88 0.00 -0.95 -1.88 120.51 126.16 2dfi n ALA 124 Ca -0.16 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2dfi n ALA 124 Cb 0.65 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.85 2dfi n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dfi n GLY 125 N 1.95 2.35 3.81 0.00 0.00 0.11 -4.99 105.19 108.41 2dfi n GLY 125 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2dfi n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dfi s VAL 126 N -2.53 4.53 0.20 1.61 1.01 -0.79 -4.78 120.40 119.66 2dfi s VAL 126 Ca 0.00 1.38 -0.23 0.00 0.00 0.00 0.00 61.98 63.13 2dfi s VAL 126 Cb 0.00 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 2dfi s VAL 126 CO 0.00 0.30 0.77 -1.61 0.00 0.00 0.00 175.10 174.56 2dfi s GLU 127 N -1.73 4.44 0.45 2.72 2.02 -1.26 -1.49 118.70 123.84 2dfi s GLU 127 Ca 0.40 1.05 0.20 0.00 0.02 0.00 0.00 54.97 56.65 2dfi s GLU 127 Cb -0.18 -3.06 1.17 0.00 0.10 0.00 0.00 34.13 32.16 2dfi s GLU 127 CO 0.22 0.47 1.91 0.82 0.02 0.00 0.00 175.26 178.70 2dfi h ILE 128 N 3.02 0.72 -0.79 -1.63 2.04 -1.33 -0.85 117.51 118.68 2dfi h ILE 128 Ca -0.47 -0.10 0.21 0.00 1.00 0.00 0.00 64.86 65.50 2dfi h ILE 128 Cb 1.20 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 2dfi h ILE 128 CO 0.65 0.05 0.56 0.07 0.00 0.00 0.00 178.15 179.49 2dfi h LYS 129 N 0.30 0.12 0.00 2.37 2.10 -1.69 0.24 116.57 120.01 2dfi h LYS 129 Ca 0.39 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.94 2dfi h LYS 129 Cb 1.07 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.36 2dfi h LYS 129 CO -0.10 0.08 -0.41 0.93 -2.00 0.00 0.00 179.45 177.95 2dfi h GLU 130 N 0.13 0.00 -0.08 0.07 4.39 -1.46 -0.56 114.58 117.07 2dfi h GLU 130 Ca 0.39 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.97 2dfi h GLU 130 Cb 1.34 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.00 2dfi h GLU 130 CO -0.05 0.41 -0.39 -0.07 -1.16 0.00 0.00 179.01 177.74 2dfi h LEU 131 N 0.00 0.48 -0.88 1.33 3.38 -0.66 -2.54 115.31 116.43 2dfi h LEU 131 Ca -0.00 -0.65 0.03 0.00 0.09 0.00 0.00 57.88 57.35 2dfi h LEU 131 Cb 0.73 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 2dfi h LEU 131 CO 0.05 1.05 0.57 1.23 0.09 0.00 0.00 178.44 181.43 2dfi h GLY 132 N -0.05 1.28 0.72 0.83 0.00 -1.25 -0.80 103.07 103.80 2dfi h GLY 132 Ca -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2dfi h GLY 132 CO 0.08 0.36 -0.26 1.70 0.00 0.00 0.00 176.54 178.42 2dfi h LYS 133 N 1.10 -0.55 -0.92 4.80 1.63 -1.08 -0.16 116.57 121.39 2dfi h LYS 133 Ca 0.35 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 2dfi h LYS 133 Cb 0.01 0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 2dfi h LYS 133 CO -0.12 -0.36 0.58 0.00 -3.45 0.00 0.00 179.45 176.09 2dfi h ALA 134 N 0.06 1.29 0.13 5.00 0.00 -1.19 -1.36 119.26 123.19 2dfi h ALA 134 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2dfi h ALA 134 Cb 0.52 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2dfi h ALA 134 CO -0.05 0.63 -0.06 0.82 0.00 0.00 0.00 179.25 180.59 2dfi h ILE 135 N 1.25 0.99 -0.39 0.00 2.04 -0.88 -2.60 117.51 117.93 2dfi h ILE 135 Ca 0.33 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.69 2dfi h ILE 135 Cb -0.09 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2dfi h ILE 135 CO -0.07 0.12 0.25 -0.08 0.00 0.00 0.00 178.15 178.37 2dfi h GLU 136 N -0.41 0.48 -0.44 2.37 4.81 -0.83 -2.41 114.58 118.16 2dfi h GLU 136 Ca -0.02 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2dfi h GLU 136 Cb 0.33 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2dfi h GLU 136 CO 0.03 0.32 0.24 -0.91 -0.73 0.00 0.00 179.01 177.96 2dfi h ASN 137 N 0.50 0.52 0.10 1.04 2.35 -1.27 0.30 115.58 119.13 2dfi h ASN 137 Ca 0.15 -0.03 -0.16 0.00 -0.55 0.00 0.00 56.30 55.71 2dfi h ASN 137 Cb -0.03 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2dfi h ASN 137 CO -0.05 0.42 -0.59 -0.33 -1.65 0.00 0.00 177.43 175.22 2dfi h GLU 138 N 0.60 0.49 0.03 0.81 4.39 -1.11 -1.34 114.58 118.45 2dfi h GLU 138 Ca 0.16 -0.33 -0.10 0.00 0.34 0.00 0.00 59.36 59.42 2dfi h GLU 138 Cb 0.01 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2dfi h GLU 138 CO -0.03 0.94 -0.42 0.82 -1.16 0.00 0.00 179.01 179.17 2dfi h ILE 139 N 0.37 1.54 -0.55 3.13 2.04 -0.94 -3.26 117.51 119.83 2dfi h ILE 139 Ca -0.00 -2.15 -0.04 0.00 1.00 0.00 0.00 64.86 63.67 2dfi h ILE 139 Cb 1.14 2.89 -0.02 0.00 -0.74 0.00 0.00 36.82 40.09 2dfi h ILE 139 CO 0.11 0.60 0.20 0.03 0.00 0.00 0.00 178.15 179.09 2dfi h ARG 140 N -0.44 0.84 -0.34 2.37 2.47 -0.48 -1.88 114.38 116.91 2dfi h ARG 140 Ca -0.06 -0.16 0.10 0.00 -1.26 0.00 0.00 59.98 58.60 2dfi h ARG 140 Cb 1.21 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.38 2dfi h ARG 140 CO 0.08 0.74 0.25 -0.22 0.56 0.00 0.00 179.97 181.38 2dfi h LYS 141 N 0.76 0.00 -0.40 0.04 3.64 -1.35 0.10 116.57 119.36 2dfi h LYS 141 Ca 0.18 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2dfi h LYS 141 Cb 0.23 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2dfi h LYS 141 CO -0.01 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.71 2dfi n ARG 142 N -4.44 2.08 -0.81 1.90 1.74 -1.10 -4.93 116.66 111.10 2dfi n ARG 142 Ca 0.05 -1.66 0.00 0.00 -0.77 0.00 0.00 57.85 55.48 2dfi n ARG 142 Cb 0.42 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 2dfi n ARG 142 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dfi n GLY 143 N 1.27 0.57 3.87 -0.13 0.00 0.35 -5.02 105.19 106.10 2dfi n GLY 143 Ca 0.17 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 2dfi n GLY 143 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dfi s PHE 144 N -2.00 2.11 -0.09 1.61 0.40 -0.73 -5.01 117.98 114.28 2dfi s PHE 144 Ca 0.00 -0.69 0.04 0.00 -0.60 0.00 0.00 56.93 55.68 2dfi s PHE 144 Cb 0.00 -2.01 -0.01 0.00 0.51 0.00 0.00 43.02 41.51 2dfi s PHE 144 CO 0.00 -0.28 -0.20 0.15 0.70 0.00 0.00 175.22 175.59 2dfi s LYS 145 N -4.19 2.89 0.27 0.44 1.02 -0.32 -3.69 119.74 116.17 2dfi s LYS 145 Ca 0.40 -0.81 -0.23 0.00 0.02 0.00 0.00 55.97 55.36 2dfi s LYS 145 Cb -0.02 -2.36 -0.09 0.00 -0.52 0.00 0.00 37.83 34.85 2dfi s LYS 145 CO 0.24 0.32 0.82 -1.25 -0.92 0.00 0.00 175.35 174.57 2dfi s PRO 146 N 0.01 4.40 -0.13 -1.68 0.04 -1.26 -0.44 135.00 135.94 2dfi s PRO 146 Ca -0.07 1.08 -0.29 0.00 0.04 0.00 0.00 61.00 61.75 2dfi s PRO 146 Cb -0.15 -2.85 -0.02 0.00 0.04 0.00 0.00 34.50 31.52 2dfi s PRO 146 CO 0.05 0.34 1.26 0.42 0.04 0.00 0.00 177.00 179.11 2dfi s ILE 147 N -1.56 4.24 -0.72 0.56 1.01 -0.73 -4.73 121.20 119.27 2dfi s ILE 147 Ca 0.46 1.52 0.26 0.00 0.00 0.00 0.00 60.65 62.89 2dfi s ILE 147 Cb -0.18 -3.98 0.29 0.00 0.01 0.00 0.00 42.46 38.60 2dfi s ILE 147 CO 0.22 -0.09 1.77 1.33 0.00 0.00 0.00 174.94 178.17 2dfi n VAL 148 N 5.15 0.61 -1.32 2.92 0.24 -0.44 -3.94 118.33 121.56 2dfi n VAL 148 Ca 0.13 -0.27 0.08 0.00 -2.04 0.00 0.00 64.34 62.24 2dfi n VAL 148 Cb 0.45 -0.61 0.17 0.00 -1.47 0.00 0.00 33.84 32.38 2dfi n VAL 148 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2dfi n ASN 149 N -2.28 2.03 -3.67 -1.34 6.94 -1.26 -4.91 115.26 110.78 2dfi n ASN 149 Ca 0.05 -3.40 -0.12 0.00 -0.02 0.00 0.00 54.58 51.08 2dfi n ASN 149 Cb 0.42 -0.47 -0.13 0.00 -2.36 0.00 0.00 39.78 37.25 2dfi n ASN 149 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2dfi s LEU 150 N -2.96 -0.27 0.00 -4.53 1.43 -1.25 -4.94 118.68 106.15 2dfi s LEU 150 Ca 0.34 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 2dfi s LEU 150 Cb 0.31 0.83 0.00 0.00 0.03 0.00 0.00 46.19 47.36 2dfi s LEU 150 CO -0.01 -0.23 0.00 -1.54 0.23 0.00 0.00 176.35 174.80 2dfi n SER 151 N 5.20 0.00 -4.05 2.29 3.41 -1.26 -4.69 113.62 114.52 2dfi n SER 151 Ca -0.09 -0.27 -0.30 0.00 -0.26 0.00 0.00 58.87 57.95 2dfi n SER 151 Cb 0.50 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.69 2dfi n SER 151 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dfi s GLY 152 N -0.42 1.54 -0.12 5.00 0.00 -0.67 -4.71 107.32 107.94 2dfi s GLY 152 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 44.72 43.72 2dfi s GLY 152 CO 0.00 0.12 0.88 -2.38 0.00 0.00 0.00 173.10 171.73 2dfi s HIS 153 N -2.82 -0.47 0.39 1.90 -3.43 -0.66 -2.19 115.29 108.01 2dfi s HIS 153 Ca 0.69 0.80 -0.25 0.00 -0.80 0.00 0.00 55.06 55.50 2dfi s HIS 153 Cb -0.14 0.44 -0.09 0.00 -1.43 0.00 0.00 32.58 31.36 2dfi s HIS 153 CO 0.58 -0.44 1.12 0.21 -2.00 0.00 0.00 174.74 174.20 2dfi s LYS 154 N -1.17 4.15 -0.05 -0.38 2.20 0.33 -1.62 119.74 123.19 2dfi s LYS 154 Ca -0.05 1.71 0.06 0.00 -0.36 0.00 0.00 55.97 57.33 2dfi s LYS 154 Cb -0.00 -2.67 -0.01 0.00 -1.51 0.00 0.00 37.83 33.63 2dfi s LYS 154 CO 0.04 -0.20 -0.23 0.42 -0.36 0.00 0.00 175.35 175.02 2dfi s ILE 155 N -1.48 1.88 0.28 5.43 1.01 0.63 -0.67 121.20 128.28 2dfi s ILE 155 Ca 0.56 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2dfi s ILE 155 Cb -0.27 -1.59 -0.06 0.00 0.01 0.00 0.00 42.46 40.55 2dfi s ILE 155 CO 0.35 0.53 0.07 -1.61 0.00 0.00 0.00 174.94 174.27 2dfi s GLU 156 N -0.17 1.49 -0.13 2.79 2.02 -0.24 -4.29 118.70 120.18 2dfi s GLU 156 Ca -0.02 -1.81 -0.34 0.00 0.02 0.00 0.00 54.97 52.82 2dfi s GLU 156 Cb -0.13 -0.51 -0.12 0.00 0.10 0.00 0.00 34.13 33.48 2dfi s GLU 156 CO 0.03 -0.23 1.92 -2.13 0.02 0.00 0.00 175.26 174.86 2dfi n ARG 157 N -0.54 2.03 -2.26 1.61 0.63 -1.26 -0.38 116.66 116.50 2dfi n ARG 157 Ca -0.01 0.73 -0.21 0.00 -0.92 0.00 0.00 57.85 57.44 2dfi n ARG 157 Cb 0.66 -2.63 -0.02 0.00 0.45 0.00 0.00 32.46 30.92 2dfi n ARG 157 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2dfi n TYR 158 N 7.06 -0.82 -3.43 -0.14 4.01 0.14 -4.94 117.16 119.05 2dfi n TYR 158 Ca 0.25 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.76 2dfi n TYR 158 Cb 0.29 -3.85 -0.10 0.00 -0.31 0.00 0.00 39.34 35.36 2dfi n TYR 158 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2dfi s LYS 159 N -4.81 0.47 0.18 -0.72 2.47 0.49 -4.63 119.74 113.19 2dfi s LYS 159 Ca 0.00 -0.78 -0.14 0.00 -1.56 0.00 0.00 55.97 53.49 2dfi s LYS 159 Cb 0.00 -0.94 0.10 0.00 -1.46 0.00 0.00 37.83 35.53 2dfi s LYS 159 CO 0.00 -1.14 1.82 1.25 0.16 0.00 0.00 175.35 177.44 2dfi h LEU 160 N 7.53 0.51 -7.44 5.43 5.85 -1.88 -0.62 115.31 124.69 2dfi h LEU 160 Ca -0.03 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 58.03 2dfi h LEU 160 Cb 1.03 -0.10 -0.39 0.00 0.37 0.00 0.00 40.66 41.57 2dfi h LEU 160 CO 0.29 0.36 -0.51 -1.00 -0.34 0.00 0.00 178.44 177.23 2dfi s HIS 161 N -6.14 3.28 0.57 1.25 3.76 -1.26 -4.34 115.29 112.41 2dfi s HIS 161 Ca -0.13 -3.00 0.29 0.00 -0.15 0.00 0.00 55.06 52.08 2dfi s HIS 161 Cb 0.13 -2.98 1.78 0.00 1.11 0.00 0.00 32.58 32.62 2dfi s HIS 161 CO 0.74 -0.78 2.23 0.00 -0.85 0.00 0.00 174.74 176.09 2dfi h ALA 162 N 6.67 1.49 0.00 -1.40 0.00 -1.03 -3.47 119.26 121.52 2dfi h ALA 162 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2dfi h ALA 162 Cb 0.91 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2dfi h ALA 162 CO 0.70 0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.38 2dfi n GLY 163 N -1.23 3.28 3.74 0.00 0.00 -1.26 -5.03 105.19 104.68 2dfi n GLY 163 Ca -0.03 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 2dfi n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dfi s ILE 164 N 0.00 3.51 0.42 -0.61 1.01 -1.26 -4.91 121.20 119.37 2dfi s ILE 164 Ca 0.00 1.26 0.07 0.00 0.00 0.00 0.00 60.65 61.98 2dfi s ILE 164 Cb 0.00 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 2dfi s ILE 164 CO 0.00 0.19 0.17 -0.94 0.00 0.00 0.00 174.94 174.36 2dfi s SER 165 N 0.21 4.37 -0.44 3.58 1.04 -1.26 -0.52 113.70 120.68 2dfi s SER 165 Ca 0.54 -1.14 0.02 0.00 0.48 0.00 0.00 55.95 55.85 2dfi s SER 165 Cb -0.33 -0.39 0.13 0.00 0.10 0.00 0.00 66.02 65.53 2dfi s SER 165 CO 0.37 -0.57 0.23 -0.63 0.98 0.00 0.00 173.24 173.61 2dfi s ILE 166 N -2.63 1.61 1.02 -1.02 1.01 -0.93 -4.87 121.20 115.39 2dfi s ILE 166 Ca 0.39 -2.60 -0.12 0.00 0.00 0.00 0.00 60.65 58.32 2dfi s ILE 166 Cb 0.04 -2.13 0.19 0.00 0.01 0.00 0.00 42.46 40.57 2dfi s ILE 166 CO 0.21 -0.85 1.00 -2.65 0.00 0.00 0.00 174.94 172.65 2dfi n PRO 167 N 3.58 -1.20 -0.57 2.79 -0.02 -1.26 -1.68 135.00 136.64 2dfi n PRO 167 Ca 0.07 -0.30 0.10 0.00 -2.02 0.00 0.00 63.50 61.34 2dfi n PRO 167 Cb 0.35 -2.24 0.35 0.00 -0.02 0.00 0.00 33.50 31.94 2dfi n PRO 167 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2dfi n ASN 168 N -4.18 4.62 -4.12 2.55 5.03 -1.26 -4.01 115.26 113.88 2dfi n ASN 168 Ca 0.08 -2.41 -0.09 0.00 0.87 0.00 0.00 54.58 53.03 2dfi n ASN 168 Cb 0.53 -0.56 -0.10 0.00 -1.02 0.00 0.00 39.78 38.63 2dfi n ASN 168 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2dfi s ILE 169 N -1.77 0.45 -0.15 2.41 -4.36 -1.25 -3.29 121.20 113.24 2dfi s ILE 169 Ca 0.50 -1.81 -0.29 0.00 -0.26 0.00 0.00 60.65 58.79 2dfi s ILE 169 Cb 0.32 -1.51 -0.01 0.00 1.25 0.00 0.00 42.46 42.51 2dfi s ILE 169 CO 0.25 -0.90 1.08 -0.47 0.24 0.00 0.00 174.94 175.14 2dfi s TYR 170 N -3.60 3.31 -0.22 1.37 6.14 -1.25 -4.46 117.35 118.65 2dfi s TYR 170 Ca 0.08 1.41 0.01 0.00 0.64 0.00 0.00 57.07 59.21 2dfi s TYR 170 Cb 0.05 -3.30 0.05 0.00 0.42 0.00 0.00 41.96 39.18 2dfi s TYR 170 CO -0.07 -0.69 -0.12 1.03 0.64 0.00 0.00 175.55 176.35 2dfi s ARG 171 N 2.70 2.20 0.56 4.97 0.52 -1.26 -4.99 118.95 123.65 2dfi s ARG 171 Ca 0.49 -0.99 0.31 0.00 -0.52 0.00 0.00 55.73 55.02 2dfi s ARG 171 Cb -0.18 -2.58 1.45 0.00 0.52 0.00 0.00 34.95 34.16 2dfi s ARG 171 CO 0.13 -0.45 1.83 -1.00 0.02 0.00 0.00 175.30 175.84 2dfi h PRO 172 N 7.91 0.00 -0.56 3.54 0.13 -1.95 -2.40 132.00 138.67 2dfi h PRO 172 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2dfi h PRO 172 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2dfi h PRO 172 CO 0.49 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.98 2dfi n HIS 173 N -3.95 0.73 -2.25 1.56 8.25 -1.26 -4.68 115.22 113.62 2dfi n HIS 173 Ca 0.16 -0.37 -0.40 0.00 -0.26 0.00 0.00 57.72 56.85 2dfi n HIS 173 Cb 0.96 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.05 2dfi n HIS 173 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2dfi n ASP 174 N 1.58 4.28 -0.53 0.41 8.00 -0.90 -4.64 116.55 124.75 2dfi n ASP 174 Ca 0.22 -2.85 0.09 0.00 0.71 0.00 0.00 54.79 52.96 2dfi n ASP 174 Cb 0.62 -1.69 0.33 0.00 -0.02 0.00 0.00 41.12 40.35 2dfi n ASP 174 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2dfi n ASN 175 N 8.92 1.58 -4.70 -2.24 5.03 -1.26 -2.06 115.26 120.53 2dfi n ASN 175 Ca 0.49 -1.77 -0.43 0.00 0.87 0.00 0.00 54.58 53.75 2dfi n ASN 175 Cb 0.44 -0.13 -0.03 0.00 -1.02 0.00 0.00 39.78 39.04 2dfi n ASN 175 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2dfi n TYR 176 N 0.29 2.66 -3.40 3.10 4.19 -1.26 -4.77 117.16 117.97 2dfi n TYR 176 Ca 0.15 0.01 -0.39 0.00 3.31 0.00 0.00 57.90 60.98 2dfi n TYR 176 Cb 0.30 -2.68 -0.08 0.00 0.49 0.00 0.00 39.34 37.37 2dfi n TYR 176 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2dfi s VAL 177 N 1.64 5.19 0.28 2.97 1.01 -1.26 -1.55 120.40 128.69 2dfi s VAL 177 Ca 0.78 0.60 -0.30 0.00 0.00 0.00 0.00 61.98 63.06 2dfi s VAL 177 Cb -0.52 -3.70 -0.11 0.00 0.00 0.00 0.00 36.38 32.05 2dfi s VAL 177 CO 0.35 0.20 1.52 -0.76 0.00 0.00 0.00 175.10 176.40 2dfi s LEU 178 N 1.77 4.36 0.04 3.92 1.43 -0.56 -4.84 118.68 124.80 2dfi s LEU 178 Ca 0.16 2.84 0.04 0.00 -1.03 0.00 0.00 54.13 56.14 2dfi s LEU 178 Cb -0.15 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.41 2dfi s LEU 178 CO 0.09 -0.82 -0.13 -1.59 0.23 0.00 0.00 176.35 174.13 2dfi s LYS 179 N -0.55 0.81 0.18 1.70 -2.85 -1.26 -0.71 119.74 117.05 2dfi s LYS 179 Ca 0.61 -0.77 -0.31 0.00 -1.00 0.00 0.00 55.97 54.51 2dfi s LYS 179 Cb -0.45 -0.78 -0.17 0.00 -2.06 0.00 0.00 37.83 34.37 2dfi s LYS 179 CO 0.47 0.18 0.82 -0.85 0.10 0.00 0.00 175.35 176.08 2dfi n GLU 180 N 1.75 0.50 0.00 1.78 0.00 -1.26 -0.99 120.64 122.43 2dfi n GLU 180 Ca -0.19 0.18 0.00 0.00 0.00 0.00 0.00 57.16 57.15 2dfi n GLU 180 Cb 0.55 -1.42 0.00 0.00 0.00 0.00 0.00 31.44 30.57 2dfi n GLU 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dfi n GLY 181 N 1.77 3.21 3.77 -1.84 0.00 -0.64 -4.98 105.19 106.48 2dfi n GLY 181 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2dfi n GLY 181 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dfi s ASP 182 N -0.51 6.54 -0.20 1.61 1.01 -0.16 -4.78 116.67 120.18 2dfi s ASP 182 Ca 0.00 2.86 -0.01 0.00 0.71 0.00 0.00 52.55 56.10 2dfi s ASP 182 Cb 0.00 -2.65 0.01 0.00 1.01 0.00 0.00 42.92 41.29 2dfi s ASP 182 CO 0.00 -0.74 -0.12 -0.69 0.21 0.00 0.00 175.17 173.83 2dfi s VAL 183 N -0.79 2.73 0.05 -1.27 1.01 -1.26 -0.56 120.40 120.31 2dfi s VAL 183 Ca 0.54 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.85 2dfi s VAL 183 Cb -0.44 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 2dfi s VAL 183 CO 0.54 0.47 -0.15 -0.36 0.00 0.00 0.00 175.10 175.61 2dfi s PHE 184 N 1.39 1.26 -0.17 5.22 0.08 -0.31 -0.27 117.98 125.18 2dfi s PHE 184 Ca 0.05 -0.39 -0.03 0.00 0.12 0.00 0.00 56.93 56.67 2dfi s PHE 184 Cb -0.14 -0.73 -0.02 0.00 -0.57 0.00 0.00 43.02 41.56 2dfi s PHE 184 CO -0.08 0.05 -0.04 0.00 -0.10 0.00 0.00 175.22 175.05 2dfi s ALA 185 N -1.02 2.93 -0.27 5.36 0.00 -0.64 0.89 121.76 129.00 2dfi s ALA 185 Ca 0.01 -0.91 -0.10 0.00 0.00 0.00 0.00 51.96 50.96 2dfi s ALA 185 Cb -0.09 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 2dfi s ALA 185 CO 0.02 0.06 0.15 0.42 0.00 0.00 0.00 175.76 176.41 2dfi s ILE 186 N 0.64 4.96 -0.53 0.00 1.01 -0.29 -1.65 121.20 125.34 2dfi s ILE 186 Ca -0.03 0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.71 2dfi s ILE 186 Cb -0.15 -3.36 0.23 0.00 0.01 0.00 0.00 42.46 39.19 2dfi s ILE 186 CO 0.02 0.26 0.59 1.21 0.00 0.00 0.00 174.94 177.02 2dfi n GLU 187 N 5.01 1.52 -2.10 2.79 2.13 -1.26 -2.78 120.64 125.94 2dfi n GLU 187 Ca -0.15 -3.95 -0.42 0.00 0.66 0.00 0.00 57.16 53.30 2dfi n GLU 187 Cb 0.52 -1.81 -0.03 0.00 0.27 0.00 0.00 31.44 30.38 2dfi n GLU 187 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2dfi s PRO 188 N -1.60 4.30 -0.14 5.31 0.02 -1.19 -4.07 135.00 137.63 2dfi s PRO 188 Ca 0.36 2.17 0.01 0.00 0.02 0.00 0.00 61.00 63.55 2dfi s PRO 188 Cb 0.12 -3.20 0.02 0.00 0.02 0.00 0.00 34.50 31.46 2dfi s PRO 188 CO -0.09 -0.44 -0.17 -0.06 -0.33 0.00 0.00 177.00 175.90 2dfi s PHE 189 N 0.81 2.33 0.09 6.54 0.08 -1.26 -2.98 117.98 123.60 2dfi s PHE 189 Ca 0.64 -1.24 0.10 0.00 0.12 0.00 0.00 56.93 56.55 2dfi s PHE 189 Cb -0.39 -1.65 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 2dfi s PHE 189 CO 0.33 -0.62 -0.25 0.00 -0.10 0.00 0.00 175.22 174.59 2dfi s ALA 190 N 1.14 2.41 0.12 5.36 0.00 -0.04 -1.77 121.76 128.98 2dfi s ALA 190 Ca -0.01 -1.37 -0.10 0.00 0.00 0.00 0.00 51.96 50.48 2dfi s ALA 190 Cb -0.14 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2dfi s ALA 190 CO -0.06 0.55 0.25 -0.08 0.00 0.00 0.00 175.76 176.42 2dfi s THR 191 N -0.98 0.11 -2.31 0.00 -1.32 0.41 -0.22 115.64 111.33 2dfi s THR 191 Ca 0.14 -1.15 0.22 0.00 -1.21 0.00 0.00 61.69 59.69 2dfi s THR 191 Cb -0.10 -1.46 0.38 0.00 -1.51 0.00 0.00 72.50 69.81 2dfi s THR 191 CO 0.05 -0.50 1.34 2.30 -2.21 0.00 0.00 174.62 175.60 2dfi n ILE 192 N -0.13 0.48 -0.79 5.08 -5.35 -1.13 -1.17 119.36 116.35 2dfi n ILE 192 Ca -0.13 -0.74 0.00 0.00 -0.27 0.00 0.00 62.75 61.61 2dfi n ILE 192 Cb 0.63 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.53 2dfi n ILE 192 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dfi n GLY 193 N 1.37 1.54 0.28 3.28 0.00 -1.26 -4.91 105.19 105.49 2dfi n GLY 193 Ca 0.18 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 2dfi n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dfi h ALA 194 N -1.30 0.73 0.00 4.61 0.00 -1.92 -3.45 119.26 117.93 2dfi h ALA 194 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2dfi h ALA 194 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2dfi h ALA 194 CO 0.00 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.22 2dfi n GLY 195 N -0.37 1.99 3.32 0.00 0.00 -1.26 -4.95 105.19 103.91 2dfi n GLY 195 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 2dfi n GLY 195 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dfi s GLN 196 N -0.30 0.72 0.22 1.61 0.74 -1.26 -1.32 119.66 120.06 2dfi s GLN 196 Ca 0.00 0.06 0.08 0.00 0.05 0.00 0.00 55.36 55.56 2dfi s GLN 196 Cb 0.00 0.33 -0.04 0.00 1.10 0.00 0.00 33.01 34.40 2dfi s GLN 196 CO 0.00 -0.19 0.01 0.14 -0.55 0.00 0.00 175.29 174.70 2dfi s VAL 197 N -0.99 3.64 0.05 1.34 -7.23 -1.26 -0.00 120.40 115.95 2dfi s VAL 197 Ca -0.10 -1.63 0.03 0.00 -1.81 0.00 0.00 61.98 58.46 2dfi s VAL 197 Cb -0.04 -2.89 -0.03 0.00 0.56 0.00 0.00 36.38 33.99 2dfi s VAL 197 CO 0.05 -0.24 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.88 2dfi s ILE 198 N -2.00 0.68 0.09 -0.62 1.01 -0.02 -4.83 121.20 115.51 2dfi s ILE 198 Ca 0.29 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 2dfi s ILE 198 Cb -0.08 -0.72 -0.05 0.00 0.01 0.00 0.00 42.46 41.62 2dfi s ILE 198 CO 0.19 -0.34 0.96 -1.61 0.00 0.00 0.00 174.94 174.14 2dfi s GLU 199 N -1.61 4.67 0.02 2.79 2.02 -1.26 -1.58 118.70 123.74 2dfi s GLU 199 Ca -0.08 1.43 -0.05 0.00 0.02 0.00 0.00 54.97 56.30 2dfi s GLU 199 Cb -0.10 -3.39 -0.01 0.00 0.10 0.00 0.00 34.13 30.73 2dfi s GLU 199 CO 0.01 0.17 0.08 0.14 0.02 0.00 0.00 175.26 175.68 2dfi s VAL 200 N 0.18 0.10 0.88 2.63 -7.23 -0.29 -4.99 120.40 111.68 2dfi s VAL 200 Ca 0.48 -0.86 -0.11 0.00 -1.81 0.00 0.00 61.98 59.68 2dfi s VAL 200 Cb -0.23 -0.51 0.13 0.00 0.56 0.00 0.00 36.38 36.33 2dfi s VAL 200 CO 0.29 -0.48 1.15 -2.84 -0.31 0.00 0.00 175.10 172.92 2dfi s PRO 201 N -1.73 1.25 0.54 4.82 0.02 -1.26 -2.41 135.00 136.23 2dfi s PRO 201 Ca -0.13 1.53 -0.04 0.00 0.02 0.00 0.00 61.00 62.39 2dfi s PRO 201 Cb -0.07 -1.75 0.11 0.00 0.02 0.00 0.00 34.50 32.81 2dfi s PRO 201 CO -0.01 -2.46 0.74 -2.30 -0.33 0.00 0.00 177.00 172.64 2dfi n PRO 202 N -4.02 -0.22 -3.76 5.54 -0.02 -1.26 -4.74 135.00 126.52 2dfi n PRO 202 Ca 0.12 -1.64 -0.38 0.00 -2.02 0.00 0.00 63.50 59.58 2dfi n PRO 202 Cb 0.52 -0.60 -0.12 0.00 -0.02 0.00 0.00 33.50 33.27 2dfi n PRO 202 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2dfi s THR 203 N -2.30 3.79 -0.73 3.45 2.01 -1.26 -2.00 115.64 118.60 2dfi s THR 203 Ca 0.46 -1.04 0.09 0.00 0.31 0.00 0.00 61.69 61.51 2dfi s THR 203 Cb -0.02 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 2dfi s THR 203 CO 0.31 -0.11 0.55 0.18 -0.69 0.00 0.00 174.62 174.86 2dfi n LEU 204 N 4.82 1.02 -4.04 4.42 4.77 -1.26 -4.90 117.00 121.82 2dfi n LEU 204 Ca -0.13 -0.73 -0.20 0.00 -0.03 0.00 0.00 56.01 54.92 2dfi n LEU 204 Cb 0.45 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.39 2dfi n LEU 204 CO 0.31 0.21 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.51 2dfi s ILE 205 N -1.31 0.83 0.32 -0.08 1.01 -1.25 -1.12 121.20 119.59 2dfi s ILE 205 Ca 0.07 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.32 2dfi s ILE 205 Cb 0.07 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 2dfi s ILE 205 CO 0.23 0.24 0.17 -0.31 0.00 0.00 0.00 174.94 175.28 2dfi s TYR 206 N -0.16 1.63 -0.28 3.97 2.02 -0.53 0.06 117.35 124.06 2dfi s TYR 206 Ca 0.03 -1.41 -0.16 0.00 -0.37 0.00 0.00 57.07 55.16 2dfi s TYR 206 Cb -0.05 -0.86 0.11 0.00 -0.40 0.00 0.00 41.96 40.76 2dfi s TYR 206 CO -0.00 -0.55 0.82 1.41 -1.57 0.00 0.00 175.55 175.65 2dfi s MET 207 N -3.76 0.56 0.14 -0.62 -2.45 -0.72 -1.17 119.30 111.28 2dfi s MET 207 Ca 0.35 0.97 -0.31 0.00 -1.25 0.00 0.00 55.69 55.45 2dfi s MET 207 Cb 0.04 0.12 -0.10 0.00 1.25 0.00 0.00 34.83 36.14 2dfi s MET 207 CO 0.19 -0.12 1.77 -0.47 1.05 0.00 0.00 175.02 177.44 2dfi s TYR 208 N 1.51 2.38 0.00 4.11 5.04 -1.26 -1.42 117.35 127.71 2dfi s TYR 208 Ca -0.10 0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.66 2dfi s TYR 208 Cb -0.04 -4.13 0.00 0.00 0.35 0.00 0.00 41.96 38.13 2dfi s TYR 208 CO -0.18 -4.56 0.00 0.28 -1.34 0.00 0.00 175.55 169.75 2dfi n VAL 209 N 4.55 0.00 -3.80 3.14 0.31 0.20 -4.72 118.33 118.00 2dfi n VAL 209 Ca 0.17 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.37 2dfi n VAL 209 Cb 0.38 -0.83 -0.10 0.00 -0.91 0.00 0.00 33.84 32.38 2dfi n VAL 209 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2dfi s ARG 210 N -1.99 0.52 -1.26 5.55 3.52 -1.02 -5.05 118.95 119.22 2dfi s ARG 210 Ca 0.00 -0.10 -0.14 0.00 -0.13 0.00 0.00 55.73 55.37 2dfi s ARG 210 Cb 0.00 0.23 0.15 0.00 -1.56 0.00 0.00 34.95 33.77 2dfi s ARG 210 CO 0.00 -0.12 1.63 -3.47 -0.81 0.00 0.00 175.30 172.52 2dfi n ASP 211 N 1.78 5.07 -4.81 -2.12 4.64 -1.26 -4.44 116.55 115.41 2dfi n ASP 211 Ca -0.20 -2.99 -0.33 0.00 -1.38 0.00 0.00 54.79 49.90 2dfi n ASP 211 Cb 0.56 -1.59 -0.06 0.00 -1.04 0.00 0.00 41.12 38.99 2dfi n ASP 211 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 2dfi s VAL 212 N 1.87 4.87 0.27 5.18 -7.23 -1.26 -5.07 120.40 119.02 2dfi s VAL 212 Ca 0.44 -0.38 -0.30 0.00 -1.81 0.00 0.00 61.98 59.93 2dfi s VAL 212 Cb 0.02 -3.25 -0.12 0.00 0.56 0.00 0.00 36.38 33.59 2dfi s VAL 212 CO 0.01 0.33 1.59 -2.65 -0.31 0.00 0.00 175.10 174.07 2dfi n PRO 213 N 1.07 2.62 -3.89 4.82 -0.02 -1.26 -4.93 135.00 133.41 2dfi n PRO 213 Ca -0.12 0.93 -0.29 0.00 -2.02 0.00 0.00 63.50 62.00 2dfi n PRO 213 Cb 0.53 -2.71 -0.16 0.00 -0.02 0.00 0.00 33.50 31.14 2dfi n PRO 213 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dfi s VAL 214 N 0.14 1.24 -0.08 -1.45 1.01 -1.26 -5.03 120.40 114.96 2dfi s VAL 214 Ca 0.66 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 61.43 2dfi s VAL 214 Cb -0.52 -1.52 -0.23 0.00 0.00 0.00 0.00 36.38 34.11 2dfi s VAL 214 CO 0.47 -0.05 1.03 0.03 0.00 0.00 0.00 175.10 176.57 2dfi h ARG 215 N 8.05 -0.00 -6.08 2.72 -0.00 -1.99 -3.43 114.38 113.65 2dfi h ARG 215 Ca -0.20 0.00 -0.72 0.00 -0.50 0.00 0.00 59.98 58.56 2dfi h ARG 215 Cb 1.09 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.06 2dfi h ARG 215 CO 0.40 0.74 1.12 0.28 0.00 0.00 0.00 179.97 182.51 2dfi n VAL 216 N -4.74 0.23 -0.10 2.04 0.31 -1.26 -4.85 118.33 109.96 2dfi n VAL 216 Ca -0.09 -0.11 -0.06 0.00 -0.01 0.00 0.00 64.34 64.06 2dfi n VAL 216 Cb 0.36 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 2dfi n VAL 216 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dfi h ALA 217 N 9.09 0.02 -0.40 3.52 0.00 -1.98 0.23 119.26 129.73 2dfi h ALA 217 Ca -0.36 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2dfi h ALA 217 Cb 1.33 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 2dfi h ALA 217 CO 1.00 -0.60 0.16 0.37 0.00 0.00 0.00 179.25 180.18 2dfi h GLN 218 N -0.16 0.60 -0.25 0.00 4.15 -1.99 -1.08 115.11 116.39 2dfi h GLN 218 Ca 0.18 -0.11 -0.13 0.00 0.77 0.00 0.00 58.65 59.37 2dfi h GLN 218 Cb 0.45 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2dfi h GLN 218 CO -0.47 0.57 -0.38 0.00 -1.93 0.00 0.00 178.83 176.62 2dfi h ALA 219 N 1.01 0.88 -0.70 3.38 0.00 -1.84 -2.65 119.26 119.33 2dfi h ALA 219 Ca 0.13 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2dfi h ALA 219 Cb 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2dfi h ALA 219 CO -0.01 0.63 0.28 -0.09 0.00 0.00 0.00 179.25 180.07 2dfi h ARG 220 N 0.47 1.05 -0.50 0.00 2.43 -0.28 -1.79 114.38 115.76 2dfi h ARG 220 Ca 0.05 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 58.91 2dfi h ARG 220 Cb 0.87 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2dfi h ARG 220 CO 0.07 0.87 -0.13 0.74 -1.51 0.00 0.00 179.97 180.01 2dfi h PHE 221 N 1.01 1.05 -0.78 2.20 -1.00 -1.13 -2.24 116.94 116.06 2dfi h PHE 221 Ca 0.24 -0.22 -0.03 0.00 2.81 0.00 0.00 57.97 60.77 2dfi h PHE 221 Cb 0.21 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 39.47 2dfi h PHE 221 CO 0.02 1.00 0.39 1.25 -1.61 0.00 0.00 178.31 179.36 2dfi h LEU 222 N 0.84 1.00 -0.60 1.54 5.85 -1.16 -1.81 115.31 120.97 2dfi h LEU 222 Ca 0.13 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 2dfi h LEU 222 Cb 0.67 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2dfi h LEU 222 CO 0.05 0.83 0.07 0.25 -0.34 0.00 0.00 178.44 179.30 2dfi h LEU 223 N 1.10 0.98 -0.87 2.25 5.85 -1.08 -0.66 115.31 122.88 2dfi h LEU 223 Ca 0.27 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2dfi h LEU 223 Cb 0.09 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2dfi h LEU 223 CO -0.04 1.01 0.56 0.00 -0.34 0.00 0.00 178.44 179.63 2dfi h ALA 224 N 1.00 1.11 -0.35 1.25 0.00 -0.94 -0.92 119.26 120.41 2dfi h ALA 224 Ca 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2dfi h ALA 224 Cb 0.47 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2dfi h ALA 224 CO 0.02 0.54 0.09 -0.22 0.00 0.00 0.00 179.25 179.67 2dfi h LYS 225 N 1.19 0.55 0.45 0.00 3.64 -0.94 -1.02 116.57 120.44 2dfi h LYS 225 Ca 0.32 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2dfi h LYS 225 Cb -0.10 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2dfi h LYS 225 CO -0.06 0.60 -0.40 0.82 -2.27 0.00 0.00 179.45 178.13 2dfi h ILE 226 N 0.41 0.19 -0.46 2.00 2.04 -0.65 0.61 117.51 121.65 2dfi h ILE 226 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.02 2dfi h ILE 226 Cb 0.29 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 2dfi h ILE 226 CO -0.00 0.00 0.30 0.11 0.00 0.00 0.00 178.15 178.56 2dfi h LYS 227 N -0.85 0.42 -0.08 2.37 1.57 -1.17 0.78 116.57 119.61 2dfi h LYS 227 Ca -0.04 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.54 2dfi h LYS 227 Cb 0.74 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.97 2dfi h LYS 227 CO -0.04 0.28 -0.63 -0.09 -0.57 0.00 0.00 179.45 178.40 2dfi h ARG 228 N 0.43 0.58 0.00 3.15 2.43 -0.74 -3.02 114.38 117.21 2dfi h ARG 228 Ca 0.19 -0.51 -0.28 0.00 -0.81 0.00 0.00 59.98 58.57 2dfi h ARG 228 Cb 0.22 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 2dfi h ARG 228 CO -0.05 1.13 -2.26 0.39 -1.51 0.00 0.00 179.97 177.67 2dfi n GLU 229 N -4.13 0.76 -0.01 0.20 -0.58 0.17 -4.66 120.64 112.38 2dfi n GLU 229 Ca -0.09 -0.05 0.02 0.00 -0.42 0.00 0.00 57.16 56.62 2dfi n GLU 229 Cb 0.67 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.98 2dfi n GLU 229 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2dfi n TYR 230 N -2.62 0.00 -0.30 -0.32 4.01 0.26 -5.07 117.16 113.12 2dfi n TYR 230 Ca -0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 2dfi n TYR 230 Cb 1.01 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.81 2dfi n TYR 230 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2dfi n GLY 231 N 2.17 3.57 1.32 2.72 0.00 -0.61 -1.79 105.19 112.58 2dfi n GLY 231 Ca -0.04 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.95 2dfi n GLY 231 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dfi n THR 232 N 0.00 1.31 -3.87 2.61 -2.24 -1.26 -4.36 114.28 106.48 2dfi n THR 232 Ca 0.00 -0.95 -0.33 0.00 -2.27 0.00 0.00 64.05 60.50 2dfi n THR 232 Cb 0.00 0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 2dfi n THR 232 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2dfi s LEU 233 N -1.42 4.36 0.48 3.22 1.02 -0.74 -4.75 118.68 120.85 2dfi s LEU 233 Ca 0.43 0.38 -0.22 0.00 0.02 0.00 0.00 54.13 54.74 2dfi s LEU 233 Cb 0.26 -2.77 -0.09 0.00 0.02 0.00 0.00 46.19 43.61 2dfi s LEU 233 CO 0.24 0.22 0.91 -2.65 0.02 0.00 0.00 176.35 175.09 2dfi n PRO 234 N 0.74 1.10 -4.13 1.29 -0.02 -1.26 -4.64 135.00 128.08 2dfi n PRO 234 Ca -0.09 0.40 -0.09 0.00 -2.02 0.00 0.00 63.50 61.71 2dfi n PRO 234 Cb 0.52 -1.99 -0.10 0.00 -0.02 0.00 0.00 33.50 31.91 2dfi n PRO 234 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2dfi s PHE 235 N -1.40 0.72 0.07 6.00 -0.12 -0.32 -4.16 117.98 118.78 2dfi s PHE 235 Ca 0.67 -1.00 -0.02 0.00 -0.05 0.00 0.00 56.93 56.53 2dfi s PHE 235 Cb -0.51 -0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 41.37 2dfi s PHE 235 CO 0.54 -0.27 0.26 0.00 -0.05 0.00 0.00 175.22 175.71 2dfi s ALA 236 N -3.77 3.93 0.46 1.99 0.00 -1.26 -1.45 121.76 121.65 2dfi s ALA 236 Ca 0.10 -0.73 0.12 0.00 0.00 0.00 0.00 51.96 51.45 2dfi s ALA 236 Cb 0.07 -1.94 1.05 0.00 0.00 0.00 0.00 23.12 22.30 2dfi s ALA 236 CO -0.07 0.76 2.07 -0.92 0.00 0.00 0.00 175.76 177.60 2dfi h TYR 237 N 3.14 0.31 -0.90 0.00 3.20 -1.47 -1.28 116.97 119.97 2dfi h TYR 237 Ca -0.46 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.44 2dfi h TYR 237 Cb 1.17 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 39.29 2dfi h TYR 237 CO 0.62 0.18 0.59 -0.09 -1.64 0.00 0.00 178.16 177.83 2dfi h ARG 238 N 0.32 1.14 0.00 1.82 2.43 -1.80 -2.02 114.38 116.27 2dfi h ARG 238 Ca 0.13 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2dfi h ARG 238 Cb 0.14 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2dfi h ARG 238 CO -0.03 0.76 0.00 0.91 -1.51 0.00 0.00 179.97 180.10 2dfi n TRP 239 N -4.42 0.00 -0.55 2.20 8.01 -0.48 -2.56 117.44 119.64 2dfi n TRP 239 Ca 0.11 0.00 0.02 0.00 -1.31 0.00 0.00 57.50 56.31 2dfi n TRP 239 Cb 0.05 -0.19 0.02 0.00 -2.01 0.00 0.00 31.31 29.18 2dfi n TRP 239 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 2dfi n LEU 240 N -1.19 1.42 0.00 -0.99 4.77 -0.77 -4.78 117.00 115.46 2dfi n LEU 240 Ca 0.07 -1.60 0.15 0.00 -0.03 0.00 0.00 56.01 54.59 2dfi n LEU 240 Cb 0.07 -0.07 0.88 0.00 -2.33 0.00 0.00 43.42 41.98 2dfi n LEU 240 CO 0.08 0.39 1.05 0.00 -1.33 0.00 0.00 177.39 177.58 2dfi n GLN 241 N -0.48 0.91 0.00 3.23 6.02 -1.06 -3.35 117.38 122.66 2dfi n GLN 241 Ca 0.02 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.06 2dfi n GLN 241 Cb 0.40 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.14 2dfi n GLN 241 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2dfi n ASN 242 N -1.01 0.88 0.08 1.08 3.02 -1.26 -4.58 115.26 113.47 2dfi n ASN 242 Ca 0.22 -0.94 -0.03 0.00 -0.03 0.00 0.00 54.58 53.80 2dfi n ASN 242 Cb 0.11 0.71 -0.06 0.00 -0.61 0.00 0.00 39.78 39.92 2dfi n ASN 242 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2dfi h ASP 243 N 0.63 0.00 -4.89 6.41 -0.00 -1.91 -3.48 116.42 113.18 2dfi h ASP 243 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.03 57.04 2dfi h ASP 243 Cb 0.30 0.00 -0.14 0.00 -0.00 0.00 0.00 39.33 39.49 2dfi h ASP 243 CO 0.00 0.75 0.29 0.00 -0.00 0.00 0.00 179.24 180.28 2dfi s MET 244 N -2.83 1.14 0.52 4.15 0.23 -1.26 -5.13 119.30 116.12 2dfi s MET 244 Ca 0.01 -0.37 -0.21 0.00 -1.03 0.00 0.00 55.69 54.10 2dfi s MET 244 Cb 0.09 0.52 -0.08 0.00 -1.53 0.00 0.00 34.83 33.83 2dfi s MET 244 CO 0.79 -0.49 0.91 -2.30 -2.03 0.00 0.00 175.02 171.91 2dfi n PRO 245 N -0.24 1.03 -0.24 3.16 -0.02 -1.26 -4.62 135.00 132.81 2dfi n PRO 245 Ca -0.15 0.38 -0.01 0.00 -2.02 0.00 0.00 63.50 61.71 2dfi n PRO 245 Cb 0.64 -2.04 0.06 0.00 -0.02 0.00 0.00 33.50 32.14 2dfi n PRO 245 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2dfi h GLU 246 N 0.90 -0.04 -0.19 -0.52 4.81 -1.98 -0.12 114.58 117.45 2dfi h GLU 246 Ca -0.46 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.82 2dfi h GLU 246 Cb 1.36 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.69 2dfi h GLU 246 CO 0.53 -0.02 -0.13 0.78 -0.73 0.00 0.00 179.01 179.43 2dfi h GLY 247 N -0.04 0.01 1.25 1.92 0.00 -2.00 0.89 103.07 105.11 2dfi h GLY 247 Ca 0.32 0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.73 2dfi h GLY 247 CO -0.73 -0.14 0.01 1.46 0.00 0.00 0.00 176.54 177.14 2dfi h GLN 248 N -0.13 0.91 -0.31 4.80 4.20 -1.68 -2.23 115.11 120.66 2dfi h GLN 248 Ca 0.11 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 2dfi h GLN 248 Cb 0.30 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2dfi h GLN 248 CO -0.27 0.89 0.13 1.25 -0.67 0.00 0.00 178.83 180.15 2dfi h LEU 249 N 0.84 0.43 -0.11 1.46 5.85 -0.56 0.19 115.31 123.41 2dfi h LEU 249 Ca 0.16 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.72 2dfi h LEU 249 Cb 0.48 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2dfi h LEU 249 CO 0.02 0.48 0.05 0.11 -0.34 0.00 0.00 178.44 178.76 2dfi h LYS 250 N 0.36 0.10 -0.72 1.25 1.57 -0.68 0.61 116.57 119.06 2dfi h LYS 250 Ca 0.10 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2dfi h LYS 250 Cb 0.18 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2dfi h LYS 250 CO -0.01 0.07 0.25 1.25 -0.57 0.00 0.00 179.45 180.44 2dfi h LEU 251 N 0.11 1.01 -0.43 2.94 5.85 -1.28 -0.53 115.31 122.97 2dfi h LEU 251 Ca 0.05 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2dfi h LEU 251 Cb 0.02 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2dfi h LEU 251 CO -0.04 0.92 0.23 0.00 -0.34 0.00 0.00 178.44 179.21 2dfi h ALA 252 N 1.22 0.55 -0.61 1.25 0.00 -0.16 -0.28 119.26 121.23 2dfi h ALA 252 Ca 0.24 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2dfi h ALA 252 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2dfi h ALA 252 CO -0.01 0.07 0.09 -0.07 0.00 0.00 0.00 179.25 179.33 2dfi h LEU 253 N 0.56 0.98 -0.81 0.00 3.38 -0.51 -1.66 115.31 117.25 2dfi h LEU 253 Ca 0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2dfi h LEU 253 Cb 0.06 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2dfi h LEU 253 CO -0.02 1.00 0.37 0.50 0.09 0.00 0.00 178.44 180.38 2dfi h LYS 254 N 0.93 1.18 -0.64 1.13 1.63 -0.82 -1.49 116.57 118.48 2dfi h LYS 254 Ca 0.18 -0.19 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2dfi h LYS 254 Cb 0.44 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 2dfi h LYS 254 CO 0.01 0.93 0.28 1.15 -3.45 0.00 0.00 179.45 178.37 2dfi h THR 255 N 1.16 1.23 -0.39 1.00 2.02 -0.73 -0.22 112.91 116.98 2dfi h THR 255 Ca 0.28 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 2dfi h THR 255 Cb 0.15 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2dfi h THR 255 CO -0.03 0.27 -0.05 -0.07 0.37 0.00 0.00 175.52 176.01 2dfi h LEU 256 N 0.89 0.62 -0.37 2.58 3.38 -0.92 -1.95 115.31 119.54 2dfi h LEU 256 Ca 0.22 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2dfi h LEU 256 Cb 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2dfi h LEU 256 CO -0.02 0.73 -0.30 -0.33 0.09 0.00 0.00 178.44 178.61 2dfi h GLU 257 N 0.60 0.85 -0.13 1.13 5.08 -0.83 -0.58 114.58 120.70 2dfi h GLU 257 Ca 0.12 -0.42 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 2dfi h GLU 257 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2dfi h GLU 257 CO 0.02 1.06 -0.14 0.87 -1.00 0.00 0.00 179.01 179.83 2dfi h LYS 258 N 0.65 0.21 0.00 2.33 1.57 -0.82 -0.89 116.57 119.61 2dfi h LYS 258 Ca 0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2dfi h LYS 258 Cb 0.87 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2dfi h LYS 258 CO 0.08 0.35 0.00 0.00 -0.57 0.00 0.00 179.45 179.31 2dfi h ALA 259 N 1.67 1.00 0.00 3.86 0.00 -1.23 -3.47 119.26 121.09 2dfi h ALA 259 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2dfi h ALA 259 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2dfi h ALA 259 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2dfi n GLY 260 N 1.11 0.51 0.15 0.00 0.00 -0.34 -4.92 105.19 101.70 2dfi n GLY 260 Ca 0.04 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 2dfi n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dfi h ALA 261 N 0.00 -0.12 -2.09 4.61 0.00 -1.34 -3.35 119.26 116.96 2dfi h ALA 261 Ca 0.00 -0.80 -0.51 0.00 0.00 0.00 0.00 54.91 53.60 2dfi h ALA 261 Cb 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 17.80 2dfi h ALA 261 CO 0.00 0.62 -0.69 0.96 0.00 0.00 0.00 179.25 180.14 2dfi s ILE 262 N -2.64 1.75 -0.03 0.00 -4.36 -1.17 -0.63 121.20 114.12 2dfi s ILE 262 Ca -0.10 -2.16 0.04 0.00 -0.26 0.00 0.00 60.65 58.18 2dfi s ILE 262 Cb 0.04 -2.41 -0.01 0.00 1.25 0.00 0.00 42.46 41.33 2dfi s ILE 262 CO 0.92 -0.33 -0.16 -0.47 0.24 0.00 0.00 174.94 175.14 2dfi s TYR 263 N -2.95 1.56 0.08 1.37 5.04 -0.51 -4.31 117.35 117.64 2dfi s TYR 263 Ca 0.29 -0.40 -0.15 0.00 -2.44 0.00 0.00 57.07 54.38 2dfi s TYR 263 Cb 0.03 -1.04 -0.06 0.00 0.35 0.00 0.00 41.96 41.23 2dfi s TYR 263 CO 0.12 -0.12 0.49 0.20 -1.34 0.00 0.00 175.55 174.90 2dfi s GLY 264 N -0.07 2.48 -0.54 8.97 0.00 -1.26 -1.75 107.32 115.15 2dfi s GLY 264 Ca -0.01 -0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.58 2dfi s GLY 264 CO 0.01 0.15 0.29 -0.19 0.00 0.00 0.00 173.10 173.36 2dfi s TYR 265 N -1.28 3.22 0.82 1.90 2.02 0.11 -4.98 117.35 119.16 2dfi s TYR 265 Ca 0.32 -3.12 -0.10 0.00 -0.37 0.00 0.00 57.07 53.79 2dfi s TYR 265 Cb -0.16 -2.87 0.09 0.00 -0.40 0.00 0.00 41.96 38.62 2dfi s TYR 265 CO 0.17 -0.75 1.11 -1.25 -1.57 0.00 0.00 175.55 173.26 2dfi s PRO 266 N -0.30 1.81 0.49 -1.71 0.04 -1.26 -3.89 135.00 130.18 2dfi s PRO 266 Ca 0.17 1.28 -0.22 0.00 0.04 0.00 0.00 61.00 62.27 2dfi s PRO 266 Cb -0.25 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 2dfi s PRO 266 CO -0.01 -1.99 0.91 0.28 0.04 0.00 0.00 177.00 176.23 2dfi n VAL 267 N -3.77 2.75 -4.79 -0.36 0.31 -0.85 -4.71 118.33 106.91 2dfi n VAL 267 Ca 0.10 -0.50 -0.33 0.00 -0.01 0.00 0.00 64.34 63.60 2dfi n VAL 267 Cb 0.53 -1.06 -0.16 0.00 -0.91 0.00 0.00 33.84 32.23 2dfi n VAL 267 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2dfi s LEU 268 N -0.69 2.29 0.11 7.52 1.43 -0.48 -1.14 118.68 127.71 2dfi s LEU 268 Ca 0.68 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 53.31 2dfi s LEU 268 Cb -0.50 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2dfi s LEU 268 CO 0.54 0.11 -0.13 -1.59 0.23 0.00 0.00 176.35 175.51 2dfi s LYS 269 N 0.63 0.97 0.17 1.70 -2.85 -0.61 -0.32 119.74 119.43 2dfi s LYS 269 Ca -0.10 -1.21 -0.32 0.00 -1.00 0.00 0.00 55.97 53.34 2dfi s LYS 269 Cb -0.16 -0.79 -0.11 0.00 -2.06 0.00 0.00 37.83 34.71 2dfi s LYS 269 CO 0.03 0.14 1.68 -2.00 0.10 0.00 0.00 175.35 175.30 2dfi s GLU 270 N -2.71 4.16 0.57 1.78 -6.30 0.32 -0.84 118.70 115.68 2dfi s GLU 270 Ca 0.08 2.51 0.27 0.00 -2.50 0.00 0.00 54.97 55.33 2dfi s GLU 270 Cb -0.04 -3.20 1.51 0.00 0.00 0.00 0.00 34.13 32.39 2dfi s GLU 270 CO 0.02 -0.72 2.01 0.97 0.02 0.00 0.00 175.26 177.57 2dfi h ILE 271 N 4.05 0.56 -0.29 -3.70 2.10 -0.75 0.32 117.51 119.80 2dfi h ILE 271 Ca -0.43 0.00 -0.08 0.00 1.08 0.00 0.00 64.86 65.43 2dfi h ILE 271 Cb 1.20 0.75 -0.05 0.00 -1.09 0.00 0.00 36.82 37.64 2dfi h ILE 271 CO 0.94 0.00 -0.02 -1.14 -1.08 0.00 0.00 178.15 176.85 2dfi n ARG 272 N -4.01 2.37 -3.60 2.19 0.63 -1.26 -4.94 116.66 108.04 2dfi n ARG 272 Ca 0.06 -2.96 -0.27 0.00 -0.92 0.00 0.00 57.85 53.76 2dfi n ARG 272 Cb 0.50 -1.82 0.01 0.00 0.45 0.00 0.00 32.46 31.61 2dfi n ARG 272 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2dfi n ASN 273 N -0.83 -4.56 -4.82 6.15 3.02 0.10 -4.86 115.26 109.47 2dfi n ASN 273 Ca 0.26 -0.57 -0.37 0.00 -0.03 0.00 0.00 54.58 53.87 2dfi n ASN 273 Cb 0.95 -3.69 -0.06 0.00 -0.61 0.00 0.00 39.78 36.37 2dfi n ASN 273 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2dfi s GLY 274 N -3.00 2.60 0.39 7.41 0.00 -1.26 -4.74 107.32 108.72 2dfi s GLY 274 Ca 0.52 0.01 -0.26 0.00 0.00 0.00 0.00 44.72 45.00 2dfi s GLY 274 CO 0.64 0.38 1.19 1.39 0.00 0.00 0.00 173.10 176.71 2dfi n ILE 275 N 1.20 2.32 -5.09 0.90 5.41 -1.26 -4.19 119.36 118.65 2dfi n ILE 275 Ca -0.07 -0.50 -0.29 0.00 1.00 0.00 0.00 62.75 62.89 2dfi n ILE 275 Cb 0.51 -1.42 -0.16 0.00 -0.71 0.00 0.00 39.64 37.85 2dfi n ILE 275 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2dfi s VAL 276 N -1.17 1.78 0.01 1.39 1.01 -1.01 -2.85 120.40 119.57 2dfi s VAL 276 Ca 0.60 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.73 2dfi s VAL 276 Cb -0.55 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2dfi s VAL 276 CO 0.59 0.50 -0.24 0.00 0.00 0.00 0.00 175.10 175.96 2dfi s ALA 277 N -0.13 2.31 -0.02 5.51 0.00 0.70 -4.75 121.76 125.38 2dfi s ALA 277 Ca -0.02 -1.17 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 2dfi s ALA 277 Cb -0.12 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2dfi s ALA 277 CO 0.03 0.54 0.07 -1.14 0.00 0.00 0.00 175.76 175.26 2dfi s GLN 278 N -0.97 0.18 -0.01 0.00 0.74 -1.26 -0.86 119.66 117.49 2dfi s GLN 278 Ca 0.11 -0.08 -0.02 0.00 0.05 0.00 0.00 55.36 55.42 2dfi s GLN 278 Cb -0.10 0.08 -0.00 0.00 1.10 0.00 0.00 33.01 34.09 2dfi s GLN 278 CO 0.01 -0.03 0.04 -0.06 -0.55 0.00 0.00 175.29 174.70 2dfi s PHE 279 N -0.41 0.02 -0.18 1.67 0.08 -1.16 -2.18 117.98 115.82 2dfi s PHE 279 Ca -0.05 -0.04 -0.24 0.00 0.12 0.00 0.00 56.93 56.73 2dfi s PHE 279 Cb -0.03 -0.03 0.06 0.00 -0.57 0.00 0.00 43.02 42.45 2dfi s PHE 279 CO 0.00 -0.09 0.64 -2.00 -0.10 0.00 0.00 175.22 173.67 2dfi s GLU 280 N -0.45 0.83 0.06 0.44 2.12 0.72 -3.18 118.70 119.23 2dfi s GLU 280 Ca -0.05 0.68 0.01 0.00 0.36 0.00 0.00 54.97 55.97 2dfi s GLU 280 Cb -0.03 0.40 -0.03 0.00 0.26 0.00 0.00 34.13 34.72 2dfi s GLU 280 CO -0.00 -0.15 -0.06 -1.01 -0.54 0.00 0.00 175.26 173.50 2dfi s HIS 281 N -0.13 0.63 -0.13 5.30 3.76 -1.12 -0.91 115.29 122.69 2dfi s HIS 281 Ca -0.03 -0.74 -0.03 0.00 -0.15 0.00 0.00 55.06 54.11 2dfi s HIS 281 Cb -0.03 -0.39 -0.03 0.00 1.11 0.00 0.00 32.58 33.23 2dfi s HIS 281 CO 0.03 -0.18 -0.02 0.99 -0.85 0.00 0.00 174.74 174.71 2dfi s THR 282 N -2.55 4.04 0.27 1.30 2.01 -1.12 -1.13 115.64 118.46 2dfi s THR 282 Ca -0.01 -0.32 0.08 0.00 0.31 0.00 0.00 61.69 61.75 2dfi s THR 282 Cb -0.02 -2.74 -0.06 0.00 0.01 0.00 0.00 72.50 69.69 2dfi s THR 282 CO -0.03 0.53 -0.10 0.27 -0.69 0.00 0.00 174.62 174.59 2dfi s ILE 283 N -0.08 1.88 -0.14 1.82 -4.36 0.26 -0.46 121.20 120.11 2dfi s ILE 283 Ca 0.03 -2.20 0.00 0.00 -0.26 0.00 0.00 60.65 58.22 2dfi s ILE 283 Cb -0.13 -2.38 0.02 0.00 1.25 0.00 0.00 42.46 41.23 2dfi s ILE 283 CO 0.02 -0.36 -0.12 -0.51 0.24 0.00 0.00 174.94 174.21 2dfi s ILE 284 N -2.86 1.42 0.29 8.37 2.07 -0.56 -1.16 121.20 128.76 2dfi s ILE 284 Ca 0.29 -0.54 -0.29 0.00 -1.41 0.00 0.00 60.65 58.70 2dfi s ILE 284 Cb 0.01 -1.35 -0.10 0.00 0.13 0.00 0.00 42.46 41.15 2dfi s ILE 284 CO 0.12 0.43 1.34 -0.69 -1.91 0.00 0.00 174.94 174.24 2dfi s VAL 285 N 1.54 2.76 0.00 4.00 1.01 0.27 -2.20 120.40 127.78 2dfi s VAL 285 Ca 0.05 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2dfi s VAL 285 Cb -0.13 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2dfi s VAL 285 CO -0.10 0.15 0.00 -0.62 0.00 0.00 0.00 175.10 174.53 2dfi n GLU 286 N 1.45 0.00 -0.03 2.72 -0.58 -1.26 -1.62 120.64 121.32 2dfi n GLU 286 Ca 0.03 0.00 0.23 0.00 -0.42 0.00 0.00 57.16 57.00 2dfi n GLU 286 Cb 0.41 0.00 0.72 0.00 -0.57 0.00 0.00 31.44 32.00 2dfi n GLU 286 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 2dfi h LYS 287 N 0.00 0.00 -1.28 3.49 -0.00 -1.95 -2.52 116.57 114.32 2dfi h LYS 287 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 60.65 60.59 2dfi h LYS 287 Cb 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 32.23 31.99 2dfi h LYS 287 CO 0.00 0.00 -0.44 -0.51 -0.00 0.00 0.00 179.45 178.50 2dfi s ASP 288 N -5.72 -0.84 0.31 7.07 1.01 -1.26 -4.43 116.67 112.81 2dfi s ASP 288 Ca -0.05 -0.07 -0.09 0.00 0.71 0.00 0.00 52.55 53.05 2dfi s ASP 288 Cb 0.19 1.67 -0.08 0.00 1.01 0.00 0.00 42.92 45.71 2dfi s ASP 288 CO 0.68 -0.32 -0.13 -1.20 0.21 0.00 0.00 175.17 174.41 2dfi n SER 289 N 5.36 -2.11 -3.99 0.27 7.64 -1.25 -5.02 113.62 114.54 2dfi n SER 289 Ca 0.04 0.28 -0.21 0.00 1.01 0.00 0.00 58.87 59.99 2dfi n SER 289 Cb 0.52 -0.42 -0.16 0.00 -1.01 0.00 0.00 64.21 63.14 2dfi n SER 289 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2dfi s VAL 290 N -1.01 0.77 -0.21 0.44 1.01 -0.94 -4.91 120.40 115.56 2dfi s VAL 290 Ca 0.27 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 2dfi s VAL 290 Cb -0.22 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.46 2dfi s VAL 290 CO 0.35 0.25 1.03 -0.63 0.00 0.00 0.00 175.10 176.10 2dfi s ILE 291 N 0.35 4.71 0.10 2.22 1.01 -1.26 -1.50 121.20 126.83 2dfi s ILE 291 Ca -0.06 2.02 -0.14 0.00 0.00 0.00 0.00 60.65 62.47 2dfi s ILE 291 Cb -0.10 -4.31 -0.12 0.00 0.01 0.00 0.00 42.46 37.94 2dfi s ILE 291 CO 0.01 -0.14 1.35 0.58 0.00 0.00 0.00 174.94 176.74 2dfi h VAL 292 N 5.38 1.30 -0.45 2.92 2.07 -1.10 -3.35 116.25 123.02 2dfi h VAL 292 Ca -0.21 -1.72 -0.53 0.00 0.82 0.00 0.00 66.70 65.05 2dfi h VAL 292 Cb 1.08 1.81 -0.07 0.00 -1.52 0.00 0.00 31.29 32.59 2dfi h VAL 292 CO 0.95 0.55 1.84 0.35 0.02 0.00 0.00 177.57 181.28 2dfi n THR 293 N -4.11 4.03 -3.78 2.57 -2.24 -1.23 -4.26 114.28 105.25 2dfi n THR 293 Ca -0.06 -2.78 -0.06 0.00 -2.27 0.00 0.00 64.05 58.88 2dfi n THR 293 Cb 0.60 -2.16 -0.02 0.00 -2.10 0.00 0.00 70.33 66.66 2dfi n THR 293 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dfi s GLN 294 N 0.43 1.47 0.78 -0.78 -2.07 -1.26 -4.80 119.66 113.44 2dfi s GLN 294 Ca 0.64 -0.80 -0.14 0.00 -1.82 0.00 0.00 55.36 53.24 2dfi s GLN 294 Cb 0.25 0.51 0.06 0.00 -1.09 0.00 0.00 33.01 32.74 2dfi s GLN 294 CO -0.08 -0.67 1.14 -0.25 -1.32 0.00 0.00 175.29 174.10 2dfi n ASP 295 N -0.45 0.91 -4.75 12.60 8.00 -1.26 -4.79 116.55 126.81 2dfi n ASP 295 Ca -0.06 0.62 -0.31 0.00 0.71 0.00 0.00 54.79 55.75 2dfi n ASP 295 Cb 0.60 -1.48 0.10 0.00 -0.02 0.00 0.00 41.12 40.32 2dfi n ASP 295 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dfi s MET 296 N -3.86 2.03 0.17 -1.24 0.23 -1.26 -5.04 119.30 110.33 2dfi s MET 296 Ca 0.74 1.28 0.08 0.00 -1.03 0.00 0.00 55.69 56.76 2dfi s MET 296 Cb -0.31 -1.86 -0.04 0.00 -1.53 0.00 0.00 34.83 31.09 2dfi s MET 296 CO 0.50 -1.83 -0.18 0.42 -2.03 0.00 0.00 175.02 171.91 2dfi s ILE 297 N -2.79 1.83 0.00 3.16 1.09 -1.26 -5.16 121.20 118.07 2dfi s ILE 297 Ca 0.63 -1.96 0.00 0.00 -1.10 0.00 0.00 60.65 58.22 2dfi s ILE 297 Cb -0.19 -1.87 0.00 0.00 -1.06 0.00 0.00 42.46 39.34 2dfi s ILE 297 CO 0.55 -0.35 0.00 -3.20 -0.10 0.00 0.00 174.94 171.85 2dfi n ASN 298 N 0.20 -0.79 0.00 3.58 2.85 -1.26 -5.04 115.26 114.80 2dfi n ASN 298 Ca -0.12 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.25 2dfi n ASN 298 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 2dfi n ASN 298 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2dfi n LYS 299 N -0.89 0.00 -2.43 1.20 5.02 -1.26 -5.08 118.16 114.72 2dfi n LYS 299 Ca 0.00 0.15 -0.02 0.00 -2.02 0.00 0.00 58.31 56.42 2dfi n LYS 299 Cb 0.00 -0.54 -0.01 0.00 -0.02 0.00 0.00 35.03 34.45 2dfi n LYS 299 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2dfi n SER 300 N -1.53 -5.42 0.00 4.39 2.88 -1.26 -5.23 113.62 107.44 2dfi n SER 300 Ca 0.00 1.52 0.00 0.00 -1.33 0.00 0.00 58.87 59.06 2dfi n SER 300 Cb 0.00 -4.31 0.00 0.00 -0.75 0.00 0.00 64.21 59.15 2dfi n SER 300 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22