#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iug s TRP 3 N 0.00 3.15 -0.44 -0.67 0.52 0.37 -5.02 118.94 116.85 1iug s TRP 3 Ca 0.00 -1.21 -0.27 0.00 0.02 0.00 0.00 56.10 54.65 1iug s TRP 3 Cb 0.00 -4.01 0.02 0.00 -1.15 0.00 0.00 33.47 28.33 1iug s TRP 3 CO 0.00 -1.26 0.98 -1.17 0.02 0.00 0.00 176.95 175.52 1iug s LEU 4 N 2.23 3.91 -0.22 2.99 0.20 -1.26 -1.14 118.68 125.39 1iug s LEU 4 Ca 0.15 0.36 0.12 0.00 0.69 0.00 0.00 54.13 55.45 1iug s LEU 4 Cb -0.19 -3.31 0.44 0.00 -0.43 0.00 0.00 46.19 42.69 1iug s LEU 4 CO 0.01 -1.04 1.31 0.18 -0.29 0.00 0.00 176.35 176.52 1iug n LEU 5 N 7.22 3.24 -4.90 -0.68 4.77 -0.36 -4.59 117.00 121.71 1iug n LEU 5 Ca 0.08 -3.61 -0.31 0.00 -0.03 0.00 0.00 56.01 52.14 1iug n LEU 5 Cb 0.48 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 1iug n LEU 5 CO 0.64 1.15 0.10 0.42 -1.33 0.00 0.00 177.39 178.36 1iug s THR 6 N -3.13 5.09 -1.30 -5.08 -4.23 -1.23 -0.70 115.64 105.06 1iug s THR 6 Ca 0.40 0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 60.94 1iug s THR 6 Cb 0.36 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.56 1iug s THR 6 CO -0.01 -0.05 2.73 -0.81 -0.54 0.00 0.00 174.62 175.94 1iug n PRO 7 N -0.15 3.92 0.00 3.99 -0.04 -1.26 -4.60 135.00 136.86 1iug n PRO 7 Ca -0.02 -2.71 0.00 0.00 -0.04 0.00 0.00 63.50 60.73 1iug n PRO 7 Cb 0.52 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1iug n PRO 7 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1iug n GLY 8 N 2.48 1.86 3.66 0.55 0.00 -1.26 -4.97 105.19 107.50 1iug n GLY 8 Ca 0.67 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 1iug n GLY 8 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1iug s PRO 9 N -2.81 0.60 0.46 1.61 0.02 -1.26 -5.16 135.00 128.45 1iug s PRO 9 Ca 0.00 0.80 0.03 0.00 0.02 0.00 0.00 61.00 61.85 1iug s PRO 9 Cb 0.00 -1.73 -0.02 0.00 0.02 0.00 0.00 34.50 32.77 1iug s PRO 9 CO 0.00 -2.69 0.08 0.14 -0.33 0.00 0.00 177.00 174.20 1iug s VAL 10 N -2.83 0.79 0.03 3.83 -7.23 -1.19 -4.57 120.40 109.23 1iug s VAL 10 Ca 0.65 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.52 1iug s VAL 10 Cb -0.20 -2.24 -0.07 0.00 0.56 0.00 0.00 36.38 34.43 1iug s VAL 10 CO 0.59 0.00 1.60 -0.60 -0.31 0.00 0.00 175.10 176.38 1iug s ARG 11 N -3.77 4.21 0.37 4.82 3.00 -1.26 -4.94 118.95 121.38 1iug s ARG 11 Ca 0.15 2.24 -0.26 0.00 -1.00 0.00 0.00 55.73 56.86 1iug s ARG 11 Cb 0.02 -3.66 -0.09 0.00 0.00 0.00 0.00 34.95 31.22 1iug s ARG 11 CO 0.10 -0.72 1.14 -0.51 0.00 0.00 0.00 175.30 175.31 1iug s LEU 12 N 2.83 4.28 0.20 -0.88 1.43 -1.26 -1.36 118.68 123.92 1iug s LEU 12 Ca 0.72 2.30 -0.30 0.00 -1.03 0.00 0.00 54.13 55.82 1iug s LEU 12 Cb -0.37 -3.94 -0.08 0.00 0.03 0.00 0.00 46.19 41.83 1iug s LEU 12 CO 0.31 -0.52 1.12 -2.28 0.23 0.00 0.00 176.35 175.21 1iug s HIS 13 N -1.38 3.55 0.47 0.29 5.65 -0.99 -4.64 115.29 118.24 1iug s HIS 13 Ca 0.54 1.58 0.31 0.00 0.25 0.00 0.00 55.06 57.74 1iug s HIS 13 Cb -0.30 -3.31 1.40 0.00 -1.18 0.00 0.00 32.58 29.19 1iug s HIS 13 CO 0.38 -0.72 1.72 -1.35 -0.65 0.00 0.00 174.74 174.12 1iug h PRO 14 N 4.86 0.14 -0.09 2.88 0.11 -1.95 0.18 132.00 138.14 1iug h PRO 14 Ca -0.45 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 1iug h PRO 14 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1iug h PRO 14 CO 0.72 0.09 -0.38 0.87 -0.21 0.00 0.00 178.00 179.08 1iug h LYS 15 N 0.14 0.18 -0.23 1.05 1.79 -1.96 -2.94 116.57 114.60 1iug h LYS 15 Ca 0.69 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 59.07 1iug h LYS 15 Cb 2.30 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.93 1iug h LYS 15 CO -0.21 0.55 0.10 0.00 -1.08 0.00 0.00 179.45 178.80 1iug h ALA 16 N 1.45 0.30 0.00 3.86 0.00 -0.93 -1.65 119.26 122.29 1iug h ALA 16 Ca 0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1iug h ALA 16 Cb 0.75 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1iug h ALA 16 CO 0.06 -0.12 -0.31 -0.07 0.00 0.00 0.00 179.25 178.81 1iug h LEU 17 N 0.23 0.00 -0.41 0.00 3.38 -1.55 -1.22 115.31 115.74 1iug h LEU 17 Ca 0.08 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 1iug h LEU 17 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1iug h LEU 17 CO -0.01 0.31 -0.35 -0.08 0.09 0.00 0.00 178.44 178.41 1iug h GLU 18 N 0.00 0.96 -0.34 1.13 4.81 -1.32 -2.91 114.58 116.91 1iug h GLU 18 Ca -0.00 -0.48 -0.17 0.00 -0.13 0.00 0.00 59.36 58.57 1iug h GLU 18 Cb 0.57 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 1iug h GLU 18 CO 0.04 1.15 -0.46 0.00 -0.73 0.00 0.00 179.01 179.01 1iug h ALA 19 N 0.79 0.54 0.00 2.92 0.00 -0.81 -3.06 119.26 119.65 1iug h ALA 19 Ca 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1iug h ALA 19 Cb 0.94 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1iug h ALA 19 CO 0.09 0.68 0.00 1.28 0.00 0.00 0.00 179.25 181.30 1iug n LEU 20 N -4.03 0.64 -0.08 0.00 4.77 -0.51 -2.19 117.00 115.59 1iug n LEU 20 Ca -0.03 0.67 0.13 0.00 -0.03 0.00 0.00 56.01 56.75 1iug n LEU 20 Cb 0.58 -0.60 0.37 0.00 -2.33 0.00 0.00 43.42 41.44 1iug n LEU 20 CO 0.49 -0.60 0.62 0.00 -1.33 0.00 0.00 177.39 176.57 1iug n ALA 21 N -1.77 3.19 -1.75 -1.18 0.00 -1.10 -4.93 120.51 112.97 1iug n ALA 21 Ca 0.02 -0.33 -0.34 0.00 0.00 0.00 0.00 53.44 52.79 1iug n ALA 21 Cb 0.20 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 18.46 1iug n ALA 21 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iug s ARG 22 N -2.79 3.43 0.60 0.00 1.81 -0.93 -5.00 118.95 116.06 1iug s ARG 22 Ca 0.17 1.51 -0.19 0.00 -1.72 0.00 0.00 55.73 55.51 1iug s ARG 22 Cb 0.18 -2.03 -0.03 0.00 -0.45 0.00 0.00 34.95 32.63 1iug s ARG 22 CO 0.60 -0.77 1.21 -2.14 -0.68 0.00 0.00 175.30 173.53 1iug s PRO 23 N -3.37 2.91 0.24 3.54 0.02 -1.26 -4.91 135.00 132.17 1iug s PRO 23 Ca 0.70 1.84 -0.31 0.00 0.02 0.00 0.00 61.00 63.25 1iug s PRO 23 Cb -0.21 -1.92 -0.13 0.00 0.02 0.00 0.00 34.50 32.26 1iug s PRO 23 CO 0.27 -1.26 1.55 0.94 -0.33 0.00 0.00 177.00 178.17 1iug n GLN 24 N -1.65 2.38 -4.36 5.54 -0.06 -1.26 -5.01 117.38 112.96 1iug n GLN 24 Ca 0.14 0.85 -0.33 0.00 -2.00 0.00 0.00 57.00 55.65 1iug n GLN 24 Cb 0.49 -2.60 -0.09 0.00 -4.06 0.00 0.00 30.24 23.99 1iug n GLN 24 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1iug s LEU 25 N 0.21 3.47 -0.05 1.69 1.43 -1.26 -5.09 118.68 119.09 1iug s LEU 25 Ca 0.70 0.03 -0.27 0.00 -1.03 0.00 0.00 54.13 53.55 1iug s LEU 25 Cb -0.58 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 1iug s LEU 25 CO 0.45 0.32 0.87 -2.28 0.23 0.00 0.00 176.35 175.93 1iug s HIS 26 N -0.99 3.60 -0.14 0.29 5.65 -1.26 -4.94 115.29 117.50 1iug s HIS 26 Ca 0.17 1.49 0.18 0.00 0.25 0.00 0.00 55.06 57.15 1iug s HIS 26 Cb -0.11 -3.00 0.96 0.00 -1.18 0.00 0.00 32.58 29.24 1iug s HIS 26 CO 0.07 -0.01 1.50 -2.39 -0.65 0.00 0.00 174.74 173.26 1iug n HIS 27 N 4.06 0.60 0.89 3.88 1.44 -1.26 -2.11 115.22 122.72 1iug n HIS 27 Ca 0.03 0.31 0.11 0.00 -2.01 0.00 0.00 57.72 56.16 1iug n HIS 27 Cb 0.51 -0.92 0.08 0.00 0.12 0.00 0.00 29.99 29.77 1iug n HIS 27 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1iug n ARG 28 N -2.15 1.88 -1.48 -1.40 1.74 -1.26 -4.50 116.66 109.49 1iug n ARG 28 Ca -0.01 -1.65 -0.31 0.00 -0.77 0.00 0.00 57.85 55.10 1iug n ARG 28 Cb 0.14 -1.41 0.06 0.00 -1.02 0.00 0.00 32.46 30.24 1iug n ARG 28 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1iug s THR 29 N -1.84 3.82 0.28 0.55 -4.23 -0.90 -4.86 115.64 108.46 1iug s THR 29 Ca 0.24 0.59 -0.03 0.00 -1.18 0.00 0.00 61.69 61.31 1iug s THR 29 Cb 0.18 -3.26 0.27 0.00 1.34 0.00 0.00 72.50 71.03 1iug s THR 29 CO 0.30 -0.77 1.94 -0.33 -0.54 0.00 0.00 174.62 175.22 1iug h GLU 30 N -0.84 1.14 -0.67 3.99 3.07 -1.94 -1.42 114.58 117.91 1iug h GLU 30 Ca -0.44 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.32 1iug h GLU 30 Cb 1.22 -0.26 -0.03 0.00 -0.84 0.00 0.00 28.75 28.84 1iug h GLU 30 CO 0.55 0.75 0.26 0.00 -1.40 0.00 0.00 179.01 179.18 1iug h ALA 31 N 1.46 1.21 -0.16 3.43 0.00 -1.93 -2.23 119.26 121.04 1iug h ALA 31 Ca 0.35 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1iug h ALA 31 Cb -0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1iug h ALA 31 CO -0.10 0.58 -0.67 0.00 0.00 0.00 0.00 179.25 179.06 1iug h ALA 32 N 1.32 0.53 0.10 0.00 0.00 -1.66 -2.63 119.26 116.93 1iug h ALA 32 Ca 0.23 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1iug h ALA 32 Cb 0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1iug h ALA 32 CO -0.02 0.71 -0.07 0.00 0.00 0.00 0.00 179.25 179.87 1iug h ARG 33 N 0.45 -0.17 -0.32 0.00 2.47 -0.99 -0.50 114.38 115.31 1iug h ARG 33 Ca -0.02 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1iug h ARG 33 Cb 1.25 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.59 1iug h ARG 33 CO 0.13 -0.11 0.16 0.93 0.56 0.00 0.00 179.97 181.64 1iug h GLU 34 N -0.18 0.33 -0.69 0.04 5.08 -1.44 0.13 114.58 117.86 1iug h GLU 34 Ca -0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1iug h GLU 34 Cb 0.16 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1iug h GLU 34 CO -0.00 0.22 0.38 0.28 -1.00 0.00 0.00 179.01 178.88 1iug h VAL 35 N 0.34 1.21 -0.39 3.13 2.07 -1.32 -0.61 116.25 120.68 1iug h VAL 35 Ca 0.13 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1iug h VAL 35 Cb 0.04 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1iug h VAL 35 CO -0.09 0.23 0.12 0.15 0.02 0.00 0.00 177.57 178.01 1iug h PHE 36 N 0.94 0.63 -0.42 1.57 3.57 -0.74 -2.26 116.94 120.24 1iug h PHE 36 Ca 0.24 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1iug h PHE 36 Cb 0.04 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 1iug h PHE 36 CO -0.01 0.59 0.14 -0.07 -2.23 0.00 0.00 178.31 176.74 1iug h LEU 37 N 0.49 0.60 -0.81 0.59 3.38 -0.38 -1.82 115.31 117.35 1iug h LEU 37 Ca 0.13 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1iug h LEU 37 Cb 0.26 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1iug h LEU 37 CO -0.00 0.63 -0.17 0.07 0.09 0.00 0.00 178.44 179.05 1iug h LYS 38 N 0.53 0.00 -0.36 1.13 -0.00 -1.08 -1.40 116.57 115.39 1iug h LYS 38 Ca 0.14 0.00 -0.16 0.00 -0.00 0.00 0.00 60.65 60.63 1iug h LYS 38 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.46 1iug h LYS 38 CO -0.01 0.17 -0.39 0.00 -0.00 0.00 0.00 179.45 179.23 1iug h ALA 39 N 1.83 0.62 0.02 0.07 0.00 -1.22 0.61 119.26 121.18 1iug h ALA 39 Ca -0.00 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.47 1iug h ALA 39 Cb 0.84 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1iug h ALA 39 CO 0.02 0.67 -0.11 0.00 0.00 0.00 0.00 179.25 179.83 1iug h ARG 40 N 0.72 -0.20 -0.30 0.00 2.47 -0.92 -0.89 114.38 115.27 1iug h ARG 40 Ca 0.06 0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.72 1iug h ARG 40 Cb 0.97 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.32 1iug h ARG 40 CO 0.09 -0.13 -0.14 0.78 0.56 0.00 0.00 179.97 181.14 1iug h GLY 41 N -0.20 0.55 1.44 0.04 0.00 -1.01 -1.61 103.07 102.27 1iug h GLY 41 Ca 0.04 -0.39 -0.20 0.00 0.00 0.00 0.00 47.33 46.77 1iug h GLY 41 CO -0.10 0.36 -0.78 1.41 0.00 0.00 0.00 176.54 177.44 1iug h LEU 42 N 0.47 0.65 -0.93 3.11 3.38 -0.65 -2.30 115.31 119.05 1iug h LEU 42 Ca 0.08 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.52 1iug h LEU 42 Cb 0.52 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1iug h LEU 42 CO 0.03 1.21 -0.29 -0.07 0.09 0.00 0.00 178.44 179.41 1iug h LEU 43 N 0.36 0.45 -0.52 1.67 3.38 -1.06 0.36 115.31 119.95 1iug h LEU 43 Ca -0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1iug h LEU 43 Cb 1.38 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1iug h LEU 43 CO 0.14 0.73 0.30 -0.09 0.09 0.00 0.00 178.44 179.61 1iug h ARG 44 N 0.39 0.71 -0.30 1.13 1.12 -1.19 -0.27 114.38 115.97 1iug h ARG 44 Ca 0.05 -0.07 -0.15 0.00 -1.11 0.00 0.00 59.98 58.70 1iug h ARG 44 Cb 0.71 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 30.52 1iug h ARG 44 CO 0.05 0.53 -0.40 1.49 -3.11 0.00 0.00 179.97 178.54 1iug h GLU 45 N 0.69 0.80 -0.10 0.20 4.81 -0.96 -2.76 114.58 117.26 1iug h GLU 45 Ca 0.18 -0.46 -0.06 0.00 -0.13 0.00 0.00 59.36 58.90 1iug h GLU 45 Cb 0.01 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1iug h GLU 45 CO -0.03 1.09 -0.19 0.00 -0.73 0.00 0.00 179.01 179.15 1iug h ALA 46 N 0.70 1.50 0.00 2.92 0.00 -0.65 -2.47 119.26 121.25 1iug h ALA 46 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1iug h ALA 46 Cb 0.99 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1iug h ALA 46 CO 0.09 0.36 -0.20 1.19 0.00 0.00 0.00 179.25 180.69 1iug n PHE 47 N -4.24 0.68 -3.24 0.00 3.01 -0.14 -4.86 117.46 108.66 1iug n PHE 47 Ca -0.01 0.20 -0.14 0.00 1.01 0.00 0.00 57.45 58.50 1iug n PHE 47 Cb 0.30 -0.78 0.07 0.00 -0.01 0.00 0.00 39.48 39.06 1iug n PHE 47 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1iug n ARG 48 N -2.10 -2.21 -4.00 -1.08 5.12 -0.93 -2.90 116.66 108.56 1iug n ARG 48 Ca 0.05 0.90 -0.08 0.00 -1.93 0.00 0.00 57.85 56.79 1iug n ARG 48 Cb 0.42 -5.83 -0.10 0.00 -1.16 0.00 0.00 32.46 25.79 1iug n ARG 48 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1iug s THR 49 N -3.37 0.17 -2.87 0.55 -1.32 -1.20 -2.80 115.64 104.80 1iug s THR 49 Ca 0.44 -1.42 0.24 0.00 -1.21 0.00 0.00 61.69 59.74 1iug s THR 49 Cb -0.06 -1.16 0.17 0.00 -1.51 0.00 0.00 72.50 69.94 1iug s THR 49 CO 0.74 -0.79 1.24 -0.62 -2.21 0.00 0.00 174.62 172.99 1iug n GLU 50 N 0.46 2.17 0.00 7.08 1.02 -1.26 -4.79 120.64 125.33 1iug n GLU 50 Ca -0.17 -1.80 0.00 0.00 -0.02 0.00 0.00 57.16 55.18 1iug n GLU 50 Cb 0.60 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1iug n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iug n GLY 51 N 1.36 1.10 3.38 0.62 0.00 -1.26 -4.79 105.19 105.60 1iug n GLY 51 Ca 0.13 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 1iug n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iug s GLU 52 N 0.85 1.39 -0.12 1.61 0.41 -0.22 -4.96 118.70 117.65 1iug s GLU 52 Ca 0.00 -1.32 0.03 0.00 -0.41 0.00 0.00 54.97 53.27 1iug s GLU 52 Cb 0.00 -1.85 0.01 0.00 -1.78 0.00 0.00 34.13 30.51 1iug s GLU 52 CO 0.00 0.44 -0.22 0.08 -0.49 0.00 0.00 175.26 175.07 1iug s VAL 53 N -1.06 2.01 -0.09 2.63 1.01 -1.26 0.11 120.40 123.76 1iug s VAL 53 Ca 0.13 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 1iug s VAL 53 Cb -0.10 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1iug s VAL 53 CO 0.06 0.54 0.05 -0.76 0.00 0.00 0.00 175.10 174.99 1iug s LEU 54 N 0.62 3.84 -0.30 3.92 1.43 0.64 -4.90 118.68 123.92 1iug s LEU 54 Ca -0.12 0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1iug s LEU 54 Cb -0.17 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1iug s LEU 54 CO 0.03 0.38 0.18 -0.63 0.23 0.00 0.00 176.35 176.54 1iug s ILE 55 N -0.96 5.04 -0.07 -0.59 1.01 -1.26 -1.75 121.20 122.62 1iug s ILE 55 Ca 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.70 1iug s ILE 55 Cb -0.12 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 1iug s ILE 55 CO 0.04 0.15 -0.07 -0.76 0.00 0.00 0.00 174.94 174.29 1iug s LEU 56 N 1.70 3.14 -0.60 2.97 1.43 0.70 -4.98 118.68 123.05 1iug s LEU 56 Ca 0.06 -0.04 -0.21 0.00 -1.03 0.00 0.00 54.13 52.91 1iug s LEU 56 Cb -0.17 -1.68 0.07 0.00 0.03 0.00 0.00 46.19 44.44 1iug s LEU 56 CO 0.09 0.36 0.84 -0.89 0.23 0.00 0.00 176.35 176.98 1iug s THR 57 N -0.78 4.54 -3.58 5.49 2.01 -1.26 -0.53 115.64 121.52 1iug s THR 57 Ca 0.12 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.73 1iug s THR 57 Cb -0.11 -4.54 0.00 0.00 0.01 0.00 0.00 72.50 67.86 1iug s THR 57 CO 0.01 -1.20 0.00 0.61 -0.69 0.00 0.00 174.62 173.35 1iug n GLY 58 N 5.25 -2.24 3.94 4.40 0.00 -0.67 -4.95 105.19 110.93 1iug n GLY 58 Ca -0.04 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 1iug n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iug s SER 59 N -0.70 3.21 0.50 1.61 1.04 -1.26 -2.15 113.70 115.95 1iug s SER 59 Ca 0.00 0.17 0.16 0.00 0.48 0.00 0.00 55.95 56.76 1iug s SER 59 Cb 0.00 -0.23 1.20 0.00 0.10 0.00 0.00 66.02 67.09 1iug s SER 59 CO 0.00 -2.66 2.09 1.23 0.98 0.00 0.00 173.24 174.88 1iug h GLY 60 N -1.53 0.00 1.55 7.32 0.00 -1.84 -2.15 103.07 106.42 1iug h GLY 60 Ca -0.43 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1iug h GLY 60 CO 0.37 0.00 0.11 -0.84 0.00 0.00 0.00 176.54 176.18 1iug h THR 61 N 0.00 1.18 -0.53 4.70 2.02 -1.92 -2.10 112.91 116.26 1iug h THR 61 Ca -0.00 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1iug h THR 61 Cb 0.13 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1iug h THR 61 CO 0.01 0.23 0.19 0.25 0.37 0.00 0.00 175.52 176.57 1iug h LEU 62 N 0.57 0.74 -1.11 2.58 5.85 -1.74 -1.35 115.31 120.84 1iug h LEU 62 Ca 0.13 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1iug h LEU 62 Cb 0.20 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1iug h LEU 62 CO -0.01 0.73 0.16 0.00 -0.34 0.00 0.00 178.44 178.98 1iug h ALA 63 N 1.05 1.29 -0.44 1.25 0.00 -1.46 0.13 119.26 121.08 1iug h ALA 63 Ca 0.17 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1iug h ALA 63 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1iug h ALA 63 CO -0.01 0.51 0.05 0.52 0.00 0.00 0.00 179.25 180.32 1iug h MET 64 N 0.77 0.73 -0.46 0.00 2.86 -0.92 -1.58 114.93 116.33 1iug h MET 64 Ca 0.18 -0.21 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1iug h MET 64 Cb 0.23 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1iug h MET 64 CO -0.01 0.78 -0.10 1.49 1.06 0.00 0.00 176.91 180.13 1iug h GLU 65 N 0.59 0.88 -0.79 1.72 4.81 -0.81 -2.61 114.58 118.37 1iug h GLU 65 Ca 0.13 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 1iug h GLU 65 Cb 0.41 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1iug h GLU 65 CO 0.01 0.98 0.38 0.00 -0.73 0.00 0.00 179.01 179.64 1iug h ALA 66 N 0.88 1.17 -0.05 2.92 0.00 -0.88 -0.43 119.26 122.86 1iug h ALA 66 Ca 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1iug h ALA 66 Cb 0.64 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1iug h ALA 66 CO 0.04 0.63 0.03 1.25 0.00 0.00 0.00 179.25 181.20 1iug h LEU 67 N 1.13 0.07 -0.32 0.00 6.46 -1.19 -1.81 115.31 119.66 1iug h LEU 67 Ca 0.27 -0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.87 1iug h LEU 67 Cb 0.12 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 1iug h LEU 67 CO -0.03 0.17 0.02 0.58 -0.62 0.00 0.00 178.44 178.55 1iug h VAL 68 N -0.03 1.25 -0.44 1.05 2.07 -1.25 -3.06 116.25 115.84 1iug h VAL 68 Ca 0.02 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1iug h VAL 68 Cb 0.12 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1iug h VAL 68 CO -0.00 0.30 0.24 0.11 0.02 0.00 0.00 177.57 178.23 1iug h LYS 69 N 0.36 0.62 -0.01 1.57 1.79 -1.07 -2.56 116.57 117.27 1iug h LYS 69 Ca 0.09 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1iug h LYS 69 Cb 0.41 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1iug h LYS 69 CO 0.01 0.49 -0.04 0.09 -1.08 0.00 0.00 179.45 178.93 1iug n ASN 70 N -4.70 0.55 -0.00 0.86 3.02 -0.68 -4.04 115.26 110.27 1iug n ASN 70 Ca 0.01 -0.94 0.01 0.00 -0.03 0.00 0.00 54.58 53.63 1iug n ASN 70 Cb 0.08 -0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.20 1iug n ASN 70 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1iug n LEU 71 N -0.70 0.02 -4.09 3.41 4.77 -1.16 -0.14 117.00 119.12 1iug n LEU 71 Ca 0.19 -0.10 -0.26 0.00 -0.03 0.00 0.00 56.01 55.81 1iug n LEU 71 Cb 0.24 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.16 1iug n LEU 71 CO 0.20 0.01 -0.49 -0.36 -1.33 0.00 0.00 177.39 175.41 1iug s PHE 72 N -1.97 1.64 0.23 -1.77 0.40 -0.97 -4.74 117.98 110.79 1iug s PHE 72 Ca -0.01 -0.55 -0.09 0.00 -0.60 0.00 0.00 56.93 55.68 1iug s PHE 72 Cb 0.01 -1.14 -0.07 0.00 0.51 0.00 0.00 43.02 42.33 1iug s PHE 72 CO 0.09 -0.23 0.54 0.00 0.70 0.00 0.00 175.22 176.32 1iug s ALA 73 N 0.34 3.58 0.29 5.36 0.00 -1.26 -4.69 121.76 125.38 1iug s ALA 73 Ca -0.10 -0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 1iug s ALA 73 Cb -0.14 -2.42 -0.13 0.00 0.00 0.00 0.00 23.12 20.43 1iug s ALA 73 CO 0.03 0.51 1.23 -2.30 0.00 0.00 0.00 175.76 175.23 1iug n PRO 74 N -0.15 1.81 0.00 0.00 -0.02 -1.26 -2.19 135.00 133.19 1iug n PRO 74 Ca 0.00 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1iug n PRO 74 Cb 0.52 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1iug n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iug n GLY 75 N 1.34 2.13 3.79 -1.23 0.00 0.31 -4.98 105.19 106.54 1iug n GLY 75 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1iug n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iug s GLU 76 N -0.89 3.71 -0.23 1.61 2.02 -0.93 -4.46 118.70 119.53 1iug s GLU 76 Ca 0.00 1.45 -0.28 0.00 0.02 0.00 0.00 54.97 56.16 1iug s GLU 76 Cb 0.00 -2.10 0.01 0.00 0.10 0.00 0.00 34.13 32.13 1iug s GLU 76 CO 0.00 -0.53 0.98 1.03 0.02 0.00 0.00 175.26 176.77 1iug s ARG 77 N -3.19 4.25 -0.01 1.61 1.81 -1.26 -1.05 118.95 121.11 1iug s ARG 77 Ca 0.68 1.25 0.02 0.00 -1.72 0.00 0.00 55.73 55.96 1iug s ARG 77 Cb -0.19 -3.64 -0.00 0.00 -0.45 0.00 0.00 34.95 30.67 1iug s ARG 77 CO 0.22 -0.58 -0.06 0.14 -0.68 0.00 0.00 175.30 174.34 1iug s VAL 78 N 3.05 0.53 -0.21 3.52 -7.23 -0.61 0.28 120.40 119.71 1iug s VAL 78 Ca 0.42 -0.27 -0.08 0.00 -1.81 0.00 0.00 61.98 60.24 1iug s VAL 78 Cb -0.15 -0.45 -0.04 0.00 0.56 0.00 0.00 36.38 36.29 1iug s VAL 78 CO 0.07 0.16 0.09 -0.22 -0.31 0.00 0.00 175.10 174.88 1iug s LEU 79 N -0.07 3.80 -0.23 1.32 2.96 -0.28 -1.56 118.68 124.62 1iug s LEU 79 Ca 0.01 0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1iug s LEU 79 Cb -0.04 -1.99 0.07 0.00 0.50 0.00 0.00 46.19 44.73 1iug s LEU 79 CO -0.00 0.10 0.03 -0.69 -1.32 0.00 0.00 176.35 174.47 1iug s VAL 80 N 0.84 0.79 0.27 1.68 1.01 -0.30 -1.93 120.40 122.76 1iug s VAL 80 Ca 0.05 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 1iug s VAL 80 Cb -0.13 -1.32 -0.09 0.00 0.00 0.00 0.00 36.38 34.83 1iug s VAL 80 CO 0.02 -0.30 1.02 -2.84 0.00 0.00 0.00 175.10 173.00 1iug s PRO 81 N 1.72 4.73 -0.19 2.72 0.02 -1.26 -2.63 135.00 140.11 1iug s PRO 81 Ca 0.01 1.63 0.01 0.00 0.02 0.00 0.00 61.00 62.67 1iug s PRO 81 Cb -0.17 -3.20 0.03 0.00 0.02 0.00 0.00 34.50 31.17 1iug s PRO 81 CO -0.12 0.35 -0.17 0.08 -0.33 0.00 0.00 177.00 176.82 1iug s VAL 82 N -1.20 1.99 -0.01 3.83 1.01 0.19 -4.74 120.40 121.48 1iug s VAL 82 Ca 0.43 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1iug s VAL 82 Cb -0.28 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.26 1iug s VAL 82 CO 0.36 0.40 1.02 0.00 0.00 0.00 0.00 175.10 176.88 1iug n TYR 83 N 4.61 0.00 0.00 5.22 0.18 -1.26 -1.26 117.16 124.65 1iug n TYR 83 Ca -0.19 -0.09 0.00 0.00 1.88 0.00 0.00 57.90 59.50 1iug n TYR 83 Cb 0.48 -0.06 0.00 0.00 -0.38 0.00 0.00 39.34 39.38 1iug n TYR 83 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1iug n GLY 84 N -0.06 -0.68 0.27 -7.48 0.00 -1.26 -3.97 105.19 92.01 1iug n GLY 84 Ca 0.01 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 1iug n GLY 84 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1iug h LYS 85 N 0.00 -0.24 -0.01 1.61 3.11 -1.94 0.24 116.57 119.34 1iug h LYS 85 Ca 0.00 0.02 -0.18 0.00 -2.81 0.00 0.00 60.65 57.68 1iug h LYS 85 Cb 0.00 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.27 1iug h LYS 85 CO 0.00 -0.16 -0.79 0.74 -2.81 0.00 0.00 179.45 176.44 1iug h PHE 86 N -0.24 0.21 -0.08 1.91 -1.00 -1.96 -0.83 116.94 114.94 1iug h PHE 86 Ca 0.13 -0.11 -0.15 0.00 2.81 0.00 0.00 57.97 60.65 1iug h PHE 86 Cb 0.45 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 1iug h PHE 86 CO -0.38 0.87 -0.61 0.66 -1.61 0.00 0.00 178.31 177.24 1iug h SER 87 N 0.09 0.33 0.16 2.17 4.64 -1.85 -1.39 113.55 117.70 1iug h SER 87 Ca -0.03 -0.19 -0.06 0.00 -0.47 0.00 0.00 61.79 61.04 1iug h SER 87 Cb 1.37 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1iug h SER 87 CO 0.12 0.86 -0.23 -0.08 -0.87 0.00 0.00 176.83 176.63 1iug h GLU 88 N 0.22 0.14 -0.06 4.77 4.57 -0.26 -2.09 114.58 121.86 1iug h GLU 88 Ca -0.01 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 57.97 1iug h GLU 88 Cb 1.13 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 1iug h GLU 88 CO 0.10 0.37 -0.68 -0.09 -1.18 0.00 0.00 179.01 177.53 1iug h ARG 89 N 0.13 0.27 0.00 1.92 2.43 -0.25 -3.20 114.38 115.68 1iug h ARG 89 Ca 0.02 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 58.90 1iug h ARG 89 Cb 0.49 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1iug h ARG 89 CO 0.03 0.85 -0.37 0.35 -1.51 0.00 0.00 179.97 179.33 1iug h PHE 90 N 0.19 0.00 -0.19 2.20 -0.00 -0.61 -2.35 116.94 116.17 1iug h PHE 90 Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 57.97 57.80 1iug h PHE 90 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.18 1iug h PHE 90 CO 0.03 0.37 -0.48 -0.92 -0.00 0.00 0.00 178.31 177.30 1iug h TYR 91 N 0.00 0.86 -0.15 0.41 3.20 -1.53 -2.56 116.97 117.21 1iug h TYR 91 Ca -0.00 -0.33 -0.10 0.00 3.14 0.00 0.00 58.73 61.44 1iug h TYR 91 Cb 0.96 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1iug h TYR 91 CO 0.00 1.11 -0.34 0.93 -1.64 0.00 0.00 178.16 178.23 1iug h GLU 92 N 0.37 0.29 -0.28 1.82 5.08 -1.51 -1.90 114.58 118.45 1iug h GLU 92 Ca -0.01 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 1iug h GLU 92 Cb 1.10 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1iug h GLU 92 CO 0.11 0.60 -0.27 0.82 -1.00 0.00 0.00 179.01 179.26 1iug h ILE 93 N 0.25 1.30 -0.82 3.13 2.04 -1.44 -1.71 117.51 120.26 1iug h ILE 93 Ca 0.03 -1.44 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 1iug h ILE 93 Cb 0.72 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 1iug h ILE 93 CO 0.05 0.46 0.41 0.00 0.00 0.00 0.00 178.15 179.07 1iug h ALA 94 N 0.70 1.16 0.01 1.87 0.00 -1.27 -0.72 119.26 121.01 1iug h ALA 94 Ca 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1iug h ALA 94 Cb 0.84 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1iug h ALA 94 CO 0.07 0.64 -0.01 -0.07 0.00 0.00 0.00 179.25 179.89 1iug h LEU 95 N 1.17 -0.01 -1.84 0.00 3.38 -1.25 -2.54 115.31 114.22 1iug h LEU 95 Ca 0.29 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1iug h LEU 95 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1iug h LEU 95 CO -0.04 0.25 -0.01 -0.08 0.09 0.00 0.00 178.44 178.66 1iug h GLU 96 N -0.28 0.09 0.00 1.13 4.22 -1.08 -0.96 114.58 117.70 1iug h GLU 96 Ca -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1iug h GLU 96 Cb 0.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1iug h GLU 96 CO 0.00 0.11 0.00 0.00 -2.18 0.00 0.00 179.01 176.94 1iug n ALA 97 N -2.52 2.36 -2.20 2.92 0.00 -0.30 -4.88 120.51 115.89 1iug n ALA 97 Ca -0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 1iug n ALA 97 Cb 0.13 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1iug n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iug n GLY 98 N 0.45 0.16 3.95 0.00 0.00 -0.36 -4.48 105.19 104.90 1iug n GLY 98 Ca 0.15 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 1iug n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iug s LEU 99 N -1.93 4.30 -0.40 0.99 1.02 -0.97 -0.53 118.68 121.16 1iug s LEU 99 Ca 0.02 0.18 -0.23 0.00 0.02 0.00 0.00 54.13 54.12 1iug s LEU 99 Cb -0.01 -2.95 0.02 0.00 0.02 0.00 0.00 46.19 43.27 1iug s LEU 99 CO 0.03 -0.02 0.79 -0.69 0.02 0.00 0.00 176.35 176.48 1iug s VAL 100 N -1.86 4.69 -0.19 -1.59 1.01 -0.21 -4.67 120.40 117.57 1iug s VAL 100 Ca 0.35 0.73 -0.04 0.00 0.00 0.00 0.00 61.98 63.02 1iug s VAL 100 Cb -0.10 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1iug s VAL 100 CO 0.29 -0.55 -0.02 -0.69 0.00 0.00 0.00 175.10 174.13 1iug s VAL 101 N 3.20 3.87 -0.31 2.92 1.01 -1.26 -1.58 120.40 128.25 1iug s VAL 101 Ca 0.31 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.80 1iug s VAL 101 Cb -0.13 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 1iug s VAL 101 CO 0.19 0.45 0.33 -0.70 0.00 0.00 0.00 175.10 175.38 1iug s GLU 102 N 0.83 3.73 -0.23 2.72 2.56 -0.60 -5.00 118.70 122.71 1iug s GLU 102 Ca -0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 54.97 54.55 1iug s GLU 102 Cb -0.14 -3.75 -0.05 0.00 2.00 0.00 0.00 34.13 32.19 1iug s GLU 102 CO 0.02 -0.41 0.22 0.50 -0.56 0.00 0.00 175.26 175.03 1iug s ARG 103 N 1.98 4.09 -0.20 4.30 3.00 -1.26 -1.15 118.95 129.71 1iug s ARG 103 Ca 0.12 -0.15 -0.02 0.00 -1.00 0.00 0.00 55.73 54.67 1iug s ARG 103 Cb -0.16 -3.55 0.00 0.00 0.00 0.00 0.00 34.95 31.24 1iug s ARG 103 CO 0.11 0.01 -0.11 -0.51 0.00 0.00 0.00 175.30 174.81 1iug s LEU 104 N 1.19 2.60 -0.12 -0.88 1.43 -1.08 -5.01 118.68 116.80 1iug s LEU 104 Ca 0.10 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1iug s LEU 104 Cb -0.14 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 1iug s LEU 104 CO 0.06 -0.00 0.13 -1.81 0.23 0.00 0.00 176.35 174.96 1iug s ASP 105 N 1.34 6.32 0.03 2.29 1.01 -1.26 0.57 116.67 126.98 1iug s ASP 105 Ca 0.04 0.45 0.02 0.00 0.71 0.00 0.00 52.55 53.77 1iug s ASP 105 Cb -0.14 -2.04 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 1iug s ASP 105 CO -0.06 0.40 -0.07 -0.31 0.21 0.00 0.00 175.17 175.34 1iug s TYR 106 N -0.99 0.60 0.57 4.23 1.51 -0.39 -4.95 117.35 117.93 1iug s TYR 106 Ca 0.15 -0.45 -0.20 0.00 -1.01 0.00 0.00 57.07 55.55 1iug s TYR 106 Cb -0.12 -0.37 -0.04 0.00 -0.11 0.00 0.00 41.96 41.32 1iug s TYR 106 CO 0.04 -0.08 1.30 -2.14 -1.11 0.00 0.00 175.55 173.55 1iug s PRO 107 N -1.40 3.03 0.07 -1.71 0.02 -1.26 -4.43 135.00 129.32 1iug s PRO 107 Ca -0.09 2.08 -0.31 0.00 0.02 0.00 0.00 61.00 62.70 1iug s PRO 107 Cb -0.09 -2.12 -0.09 0.00 0.02 0.00 0.00 34.50 32.22 1iug s PRO 107 CO 0.00 -1.22 1.79 0.71 -0.33 0.00 0.00 177.00 177.95 1iug s TYR 108 N -1.40 2.02 0.00 6.54 1.51 -1.26 -1.61 117.35 123.14 1iug s TYR 108 Ca 0.74 0.00 0.00 0.00 -1.01 0.00 0.00 57.07 56.81 1iug s TYR 108 Cb -0.37 -4.10 0.00 0.00 -0.11 0.00 0.00 41.96 37.38 1iug s TYR 108 CO 0.42 -4.62 0.00 0.41 -1.11 0.00 0.00 175.55 170.65 1iug n GLY 109 N 4.22 2.23 4.01 0.71 0.00 -1.25 -4.97 105.19 110.14 1iug n GLY 109 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1iug n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iug s ASP 110 N -1.95 5.20 0.09 1.61 -0.00 -0.64 -3.44 116.67 117.55 1iug s ASP 110 Ca 0.00 -0.45 0.02 0.00 -0.00 0.00 0.00 52.55 52.12 1iug s ASP 110 Cb 0.00 -0.32 -0.04 0.00 -0.00 0.00 0.00 42.92 42.56 1iug s ASP 110 CO 0.00 -1.19 -0.07 0.42 -0.00 0.00 0.00 175.17 174.33 1iug s THR 111 N -2.66 0.67 0.60 -1.27 -4.23 -1.26 -4.86 115.64 102.64 1iug s THR 111 Ca 0.59 -1.87 -0.18 0.00 -1.18 0.00 0.00 61.69 59.05 1iug s THR 111 Cb -0.08 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.13 1iug s THR 111 CO 0.38 -0.84 1.21 -2.84 -0.54 0.00 0.00 174.62 171.99 1iug s PRO 112 N -3.68 2.90 -0.03 3.99 0.02 -1.26 -5.04 135.00 131.90 1iug s PRO 112 Ca 0.10 1.84 -0.13 0.00 0.02 0.00 0.00 61.00 62.83 1iug s PRO 112 Cb 0.04 -1.92 -0.05 0.00 0.02 0.00 0.00 34.50 32.59 1iug s PRO 112 CO -0.05 -1.27 0.35 1.03 -0.33 0.00 0.00 177.00 176.74 1iug s ARG 113 N -3.37 3.84 0.48 5.54 1.81 -1.26 -4.84 118.95 121.15 1iug s ARG 113 Ca 0.78 0.30 0.16 0.00 -1.72 0.00 0.00 55.73 55.25 1iug s ARG 113 Cb -0.31 -3.22 1.18 0.00 -0.45 0.00 0.00 34.95 32.15 1iug s ARG 113 CO 0.34 0.69 2.06 -1.35 -0.68 0.00 0.00 175.30 176.36 1iug h PRO 114 N 4.84 0.18 0.00 3.54 0.11 -1.95 -1.11 132.00 137.61 1iug h PRO 114 Ca -0.52 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1iug h PRO 114 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1iug h PRO 114 CO 0.61 0.12 0.00 1.05 -0.21 0.00 0.00 178.00 179.57 1iug h GLU 115 N 0.19 0.00 0.00 1.05 9.09 -1.94 -2.91 114.58 120.05 1iug h GLU 115 Ca 0.15 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.42 1iug h GLU 115 Cb 0.37 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.45 1iug h GLU 115 CO -0.02 0.00 -0.87 -0.44 0.05 0.00 0.00 179.01 177.72 1iug h ASP 116 N 0.00 0.00 0.05 3.06 3.32 -1.61 -3.29 116.42 117.96 1iug h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1iug h ASP 116 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1iug h ASP 116 CO 0.00 0.60 -0.34 1.33 -1.72 0.00 0.00 179.24 179.10 1iug n VAL 117 N -3.13 0.00 -1.39 -1.35 0.24 -1.16 -4.56 118.33 106.97 1iug n VAL 117 Ca -0.02 -0.25 -0.37 0.00 -2.04 0.00 0.00 64.34 61.66 1iug n VAL 117 Cb 0.80 1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 34.14 1iug n VAL 117 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1iug n ALA 118 N -0.03 7.35 -2.58 2.33 0.00 -1.11 -4.29 120.51 122.17 1iug n ALA 118 Ca 0.11 -3.46 -0.32 0.00 0.00 0.00 0.00 53.44 49.77 1iug n ALA 118 Cb 0.44 -3.17 -0.10 0.00 0.00 0.00 0.00 19.45 16.62 1iug n ALA 118 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1iug s LYS 119 N 1.49 2.44 0.19 0.00 -0.14 -1.26 -4.96 119.74 117.49 1iug s LYS 119 Ca 0.67 -0.80 -0.09 0.00 -1.36 0.00 0.00 55.97 54.40 1iug s LYS 119 Cb 0.20 -2.44 -0.07 0.00 -1.68 0.00 0.00 37.83 33.84 1iug s LYS 119 CO -0.06 0.58 0.49 -2.00 -0.76 0.00 0.00 175.35 173.60 1iug s GLU 120 N -1.58 3.76 0.00 1.68 2.12 -1.26 -4.61 118.70 118.81 1iug s GLU 120 Ca 0.18 0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.69 1iug s GLU 120 Cb -0.11 -2.75 0.00 0.00 0.26 0.00 0.00 34.13 31.53 1iug s GLU 120 CO 0.09 0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.60 1iug n GLY 121 N 0.07 0.97 2.95 -1.50 0.00 -1.26 -5.11 105.19 101.31 1iug n GLY 121 Ca -0.01 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 1iug n GLY 121 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iug s TYR 122 N -2.40 0.38 -0.29 1.61 1.51 -1.26 -4.87 117.35 112.03 1iug s TYR 122 Ca 0.00 -0.12 0.22 0.00 -1.01 0.00 0.00 57.07 56.16 1iug s TYR 122 Cb 0.00 -0.24 0.10 0.00 -0.11 0.00 0.00 41.96 41.71 1iug s TYR 122 CO 0.00 -0.02 1.23 0.00 -1.11 0.00 0.00 175.55 175.65 1iug h ALA 123 N 5.86 0.67 -2.74 3.71 0.00 -0.56 -3.42 119.26 122.78 1iug h ALA 123 Ca -0.28 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.64 1iug h ALA 123 Cb 1.20 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 1iug h ALA 123 CO 0.49 0.07 0.32 0.20 0.00 0.00 0.00 179.25 180.34 1iug s GLY 124 N -4.34 -0.36 -0.04 0.00 0.00 -0.99 -1.12 107.32 100.46 1iug s GLY 124 Ca 0.02 0.29 0.02 0.00 0.00 0.00 0.00 44.72 45.05 1iug s GLY 124 CO 0.75 0.09 -0.08 -2.27 0.00 0.00 0.00 173.10 171.59 1iug s LEU 125 N -2.79 1.57 -0.21 0.66 2.96 -0.25 -1.13 118.68 119.50 1iug s LEU 125 Ca 0.07 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1iug s LEU 125 Cb -0.03 -0.57 0.00 0.00 0.50 0.00 0.00 46.19 46.10 1iug s LEU 125 CO -0.04 0.01 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.14 1iug s LEU 126 N 0.60 2.65 0.06 -0.68 1.43 -0.81 -0.96 118.68 120.96 1iug s LEU 126 Ca -0.10 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 52.57 1iug s LEU 126 Cb -0.13 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1iug s LEU 126 CO 0.01 -0.02 -0.20 -0.76 0.23 0.00 0.00 176.35 175.62 1iug s LEU 127 N 1.40 2.22 -0.41 1.79 1.43 0.03 -4.15 118.68 121.00 1iug s LEU 127 Ca 0.05 -0.57 -0.10 0.00 -1.03 0.00 0.00 54.13 52.48 1iug s LEU 127 Cb -0.14 -0.88 0.06 0.00 0.03 0.00 0.00 46.19 45.26 1iug s LEU 127 CO -0.07 0.10 0.26 -0.69 0.23 0.00 0.00 176.35 176.18 1iug s VAL 128 N -0.94 4.42 0.08 -1.59 1.01 -1.26 0.17 120.40 122.28 1iug s VAL 128 Ca 0.06 -1.21 -0.33 0.00 0.00 0.00 0.00 61.98 60.49 1iug s VAL 128 Cb -0.09 -3.63 -0.16 0.00 0.00 0.00 0.00 36.38 32.50 1iug s VAL 128 CO 0.03 -0.43 1.52 -0.74 0.00 0.00 0.00 175.10 175.47 1iug h HIS 129 N 8.45 -1.33 -3.60 5.22 2.76 -1.61 -3.39 115.15 121.65 1iug h HIS 129 Ca -0.24 0.01 -0.69 0.00 -2.20 0.00 0.00 60.37 57.25 1iug h HIS 129 Cb 1.09 0.52 -0.35 0.00 1.55 0.00 0.00 27.41 30.23 1iug h HIS 129 CO 0.60 -0.63 -0.62 0.45 -1.30 0.00 0.00 177.93 176.44 1iug s SER 130 N -4.24 5.09 -1.14 3.26 0.15 -1.26 -0.71 113.70 114.86 1iug s SER 130 Ca -0.17 -1.80 -0.21 0.00 0.70 0.00 0.00 55.95 54.48 1iug s SER 130 Cb 0.04 -1.77 0.06 0.00 -1.71 0.00 0.00 66.02 62.64 1iug s SER 130 CO 0.56 -0.44 1.59 -0.70 1.20 0.00 0.00 173.24 175.45 1iug s GLU 131 N 1.15 3.75 0.44 5.44 2.56 -0.21 -4.59 118.70 127.24 1iug s GLU 131 Ca 0.04 -1.50 0.22 0.00 0.00 0.00 0.00 54.97 53.73 1iug s GLU 131 Cb -0.21 -5.44 1.20 0.00 2.00 0.00 0.00 34.13 31.68 1iug s GLU 131 CO -0.04 -2.26 1.82 1.15 -0.56 0.00 0.00 175.26 175.37 1iug h THR 132 N 6.26 0.56 -0.07 -1.70 2.02 -1.95 0.12 112.91 118.16 1iug h THR 132 Ca 0.31 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 1iug h THR 132 Cb 0.95 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1iug h THR 132 CO 1.44 0.05 -0.12 0.77 0.37 0.00 0.00 175.52 178.03 1iug h SER 133 N 0.30 0.09 0.00 4.18 4.64 -1.97 -3.26 113.55 117.54 1iug h SER 133 Ca 0.53 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1iug h SER 133 Cb 1.52 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 1iug h SER 133 CO -0.19 0.23 -0.98 0.35 -0.87 0.00 0.00 176.83 175.38 1iug n THR 134 N -4.34 0.00 -0.70 2.95 -2.24 -0.52 -4.78 114.28 104.65 1iug n THR 134 Ca -0.02 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1iug n THR 134 Cb 0.22 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1iug n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iug n GLY 135 N 1.83 0.66 3.80 3.38 0.00 0.30 -4.03 105.19 111.14 1iug n GLY 135 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1iug n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iug s ALA 136 N -2.09 3.50 -0.24 4.61 0.00 -1.19 -1.49 121.76 124.85 1iug s ALA 136 Ca 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.09 1iug s ALA 136 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1iug s ALA 136 CO 0.00 0.35 -0.02 -1.17 0.00 0.00 0.00 175.76 174.92 1iug s LEU 137 N -1.37 3.13 0.37 0.00 2.96 -0.74 -1.04 118.68 121.98 1iug s LEU 137 Ca 0.35 -0.54 -0.24 0.00 -0.22 0.00 0.00 54.13 53.47 1iug s LEU 137 Cb -0.20 -1.75 -0.10 0.00 0.50 0.00 0.00 46.19 44.64 1iug s LEU 137 CO 0.22 -0.07 0.97 0.00 -1.32 0.00 0.00 176.35 176.14 1iug s ALA 138 N 1.45 3.14 -1.29 5.97 0.00 0.11 -4.79 121.76 126.36 1iug s ALA 138 Ca 0.04 0.53 -0.16 0.00 0.00 0.00 0.00 51.96 52.37 1iug s ALA 138 Cb -0.15 -3.19 0.10 0.00 0.00 0.00 0.00 23.12 19.87 1iug s ALA 138 CO -0.02 0.09 1.71 -3.47 0.00 0.00 0.00 175.76 174.06 1iug n ASP 139 N 0.13 4.93 -0.11 0.00 -0.08 -1.26 -4.86 116.55 115.29 1iug n ASP 139 Ca 0.04 -2.94 -0.06 0.00 -1.51 0.00 0.00 54.79 50.32 1iug n ASP 139 Cb 0.51 -1.69 -0.00 0.00 2.34 0.00 0.00 41.12 42.28 1iug n ASP 139 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1iug h LEU 140 N 11.44 -0.85 -0.57 -2.67 5.85 -1.92 -2.08 115.31 124.51 1iug h LEU 140 Ca 0.42 0.17 0.05 0.00 0.84 0.00 0.00 57.88 59.37 1iug h LEU 140 Cb 0.84 0.42 -0.05 0.00 0.37 0.00 0.00 40.66 42.25 1iug h LEU 140 CO 1.45 -0.27 0.29 -0.65 -0.34 0.00 0.00 178.44 178.92 1iug h PRO 141 N -0.19 0.54 -0.52 5.25 0.11 -1.90 -1.09 132.00 134.21 1iug h PRO 141 Ca 0.19 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.19 1iug h PRO 141 Cb 0.48 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 1iug h PRO 141 CO -0.50 0.36 0.03 0.00 -0.21 0.00 0.00 178.00 177.67 1iug h ALA 142 N 1.31 0.70 -0.25 -0.75 0.00 -1.82 -1.72 119.26 116.73 1iug h ALA 142 Ca 0.25 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1iug h ALA 142 Cb 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1iug h ALA 142 CO -0.17 0.49 -0.06 -0.07 0.00 0.00 0.00 179.25 179.44 1iug h LEU 143 N 0.78 0.48 -0.54 0.00 3.38 -1.17 -1.81 115.31 116.43 1iug h LEU 143 Ca 0.15 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1iug h LEU 143 Cb 0.49 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1iug h LEU 143 CO 0.02 0.74 0.29 0.00 0.09 0.00 0.00 178.44 179.58 1iug h ALA 144 N 0.76 0.69 -0.60 1.53 0.00 -1.19 -2.10 119.26 118.36 1iug h ALA 144 Ca 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1iug h ALA 144 Cb 0.53 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1iug h ALA 144 CO 0.03 0.22 0.21 -0.09 0.00 0.00 0.00 179.25 179.61 1iug h ARG 145 N 0.72 0.91 -0.19 0.00 1.12 -1.28 0.16 114.38 115.83 1iug h ARG 145 Ca 0.19 -0.18 -0.10 0.00 -1.11 0.00 0.00 59.98 58.78 1iug h ARG 145 Cb 0.06 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 29.87 1iug h ARG 145 CO -0.03 0.80 -0.30 0.00 -3.11 0.00 0.00 179.97 177.33 1iug h ALA 146 N 1.07 1.13 -0.02 2.80 0.00 -1.21 -2.59 119.26 120.44 1iug h ALA 146 Ca 0.19 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1iug h ALA 146 Cb 0.25 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1iug h ALA 146 CO -0.01 0.55 -0.47 0.35 0.00 0.00 0.00 179.25 179.68 1iug h PHE 147 N 0.33 0.52 -0.77 0.00 3.57 -1.01 -3.29 116.94 116.28 1iug h PHE 147 Ca 0.04 -0.26 0.04 0.00 3.53 0.00 0.00 57.97 61.32 1iug h PHE 147 Cb 0.70 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1iug h PHE 147 CO 0.02 1.06 0.50 0.87 -2.23 0.00 0.00 178.31 178.53 1iug h LYS 148 N -0.17 0.88 -0.80 1.11 1.79 -0.61 -1.00 116.57 117.76 1iug h LYS 148 Ca -0.05 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1iug h LYS 148 Cb 1.17 -0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 31.58 1iug h LYS 148 CO 0.09 0.58 0.53 0.93 -1.08 0.00 0.00 179.45 180.50 1iug h GLU 149 N 0.90 1.01 0.00 3.15 5.08 -1.53 -1.49 114.58 121.70 1iug h GLU 149 Ca 0.31 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1iug h GLU 149 Cb 0.11 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1iug h GLU 149 CO -0.10 0.67 -0.95 1.63 -1.00 0.00 0.00 179.01 179.26 1iug n LYS 150 N -4.43 0.53 -3.43 2.33 4.76 -1.01 -4.56 118.16 112.36 1iug n LYS 150 Ca 0.10 0.11 -0.27 0.00 -2.87 0.00 0.00 58.31 55.38 1iug n LYS 150 Cb 0.07 -1.79 -0.10 0.00 -1.84 0.00 0.00 35.03 31.37 1iug n LYS 150 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1iug n ASN 151 N -2.54 0.11 0.09 4.39 3.02 -0.41 -4.61 115.26 115.31 1iug n ASN 151 Ca 0.01 -2.54 0.17 0.00 -0.03 0.00 0.00 54.58 52.19 1iug n ASN 151 Cb 0.52 -0.59 0.69 0.00 -0.61 0.00 0.00 39.78 39.79 1iug n ASN 151 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1iug h PRO 152 N 5.37 0.00 -0.47 3.52 0.11 -1.53 -1.26 132.00 137.74 1iug h PRO 152 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1iug h PRO 152 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1iug h PRO 152 CO 0.43 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.61 1iug n GLU 153 N -4.38 2.52 -1.73 1.05 4.71 -1.26 -4.99 120.64 116.56 1iug n GLU 153 Ca 0.05 -2.32 -0.30 0.00 -0.01 0.00 0.00 57.16 54.58 1iug n GLU 153 Cb 0.44 -1.52 0.06 0.00 -1.01 0.00 0.00 31.44 29.40 1iug n GLU 153 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1iug s GLY 154 N -1.36 1.64 0.04 0.62 0.00 -0.48 -5.00 107.32 102.79 1iug s GLY 154 Ca 0.41 -0.19 0.07 0.00 0.00 0.00 0.00 44.72 45.01 1iug s GLY 154 CO 0.32 0.17 -0.17 1.08 0.00 0.00 0.00 173.10 174.50 1iug s LEU 155 N -5.49 2.68 -0.25 0.66 1.43 -0.28 -4.97 118.68 112.46 1iug s LEU 155 Ca 0.58 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1iug s LEU 155 Cb -0.13 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.58 1iug s LEU 155 CO 0.53 0.25 -0.09 -0.69 0.23 0.00 0.00 176.35 176.59 1iug s VAL 156 N -0.95 2.57 -0.12 -1.59 1.01 -1.26 -1.09 120.40 118.97 1iug s VAL 156 Ca 0.15 -1.23 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 1iug s VAL 156 Cb -0.11 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1iug s VAL 156 CO 0.06 0.15 -0.01 -0.83 0.00 0.00 0.00 175.10 174.47 1iug s GLY 157 N 1.25 1.80 0.05 4.51 0.00 -0.14 -1.18 107.32 113.61 1iug s GLY 157 Ca -0.02 -0.81 0.07 0.00 0.00 0.00 0.00 44.72 43.96 1iug s GLY 157 CO -0.05 -0.31 -0.20 0.00 0.00 0.00 0.00 173.10 172.54 1iug s ALA 158 N -0.26 1.66 -0.49 3.20 0.00 0.37 -0.79 121.76 125.46 1iug s ALA 158 Ca 0.06 -1.03 -0.20 0.00 0.00 0.00 0.00 51.96 50.79 1iug s ALA 158 Cb -0.12 -0.31 0.05 0.00 0.00 0.00 0.00 23.12 22.74 1iug s ALA 158 CO 0.02 0.36 0.63 0.34 0.00 0.00 0.00 175.76 177.11 1iug s ASP 159 N -1.23 6.25 -0.31 0.00 -1.08 0.13 -1.64 116.67 118.77 1iug s ASP 159 Ca 0.06 -0.76 0.08 0.00 -0.52 0.00 0.00 52.55 51.42 1iug s ASP 159 Cb -0.09 -2.30 0.51 0.00 -1.46 0.00 0.00 42.92 39.58 1iug s ASP 159 CO 0.02 -0.86 1.49 0.23 0.52 0.00 0.00 175.17 176.56 1iug n MET 160 N 6.21 1.96 -0.26 4.34 2.81 0.15 -1.46 117.12 130.88 1iug n MET 160 Ca -0.05 -3.25 -0.01 0.00 -1.81 0.00 0.00 57.70 52.58 1iug n MET 160 Cb 0.46 -1.87 0.11 0.00 -0.71 0.00 0.00 33.22 31.21 1iug n MET 160 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1iug h VAL 161 N 1.06 1.00 -0.41 2.03 2.07 -1.87 -2.36 116.25 117.77 1iug h VAL 161 Ca 0.26 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1iug h VAL 161 Cb 1.68 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1iug h VAL 161 CO 0.48 0.14 0.01 0.35 0.02 0.00 0.00 177.57 178.57 1iug n THR 162 N -4.72 2.53 -0.02 2.57 -2.24 -1.26 -4.41 114.28 106.72 1iug n THR 162 Ca 0.09 -1.70 -0.02 0.00 -2.27 0.00 0.00 64.05 60.16 1iug n THR 162 Cb 0.16 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.08 1iug n THR 162 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1iug n SER 163 N -0.04 3.82 -4.69 3.42 3.41 -1.03 -4.56 113.62 113.96 1iug n SER 163 Ca 0.25 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.44 1iug n SER 163 Cb 1.05 0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 65.59 1iug n SER 163 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1iug s LEU 164 N -4.35 4.39 -0.34 1.04 2.96 -0.92 -0.77 118.68 120.70 1iug s LEU 164 Ca -0.02 2.66 0.00 0.00 -0.22 0.00 0.00 54.13 56.55 1iug s LEU 164 Cb 0.01 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1iug s LEU 164 CO 0.20 -0.98 0.00 -0.11 -1.32 0.00 0.00 176.35 174.14 1iug n LEU 165 N 5.93 0.31 -0.00 -0.68 7.94 -1.26 -4.30 117.00 124.94 1iug n LEU 165 Ca 0.17 0.08 -0.00 0.00 -1.11 0.00 0.00 56.01 55.15 1iug n LEU 165 Cb 0.39 -1.94 -0.00 0.00 0.53 0.00 0.00 43.42 42.40 1iug n LEU 165 CO 0.65 -0.71 -0.52 0.52 -1.11 0.00 0.00 177.39 176.23 1iug n VAL 166 N -2.37 0.03 -4.36 1.96 0.31 -0.60 -4.84 118.33 108.47 1iug n VAL 166 Ca -0.03 -0.01 -0.20 0.00 -0.01 0.00 0.00 64.34 64.09 1iug n VAL 166 Cb 0.37 -0.69 -0.06 0.00 -0.91 0.00 0.00 33.84 32.55 1iug n VAL 166 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1iug n GLY 167 N 3.39 3.25 3.70 2.92 0.00 0.05 -4.67 105.19 113.83 1iug n GLY 167 Ca -0.01 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1iug n GLY 167 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1iug s GLU 168 N -3.26 4.28 0.02 1.61 2.56 -1.26 -4.71 118.70 117.94 1iug s GLU 168 Ca 0.24 2.04 0.02 0.00 0.00 0.00 0.00 54.97 57.27 1iug s GLU 168 Cb 0.01 -3.48 -0.01 0.00 2.00 0.00 0.00 34.13 32.65 1iug s GLU 168 CO 0.17 -0.55 -0.06 0.08 -0.56 0.00 0.00 175.26 174.33 1iug s VAL 169 N 2.05 0.47 0.05 3.70 1.01 -1.26 -5.01 120.40 121.40 1iug s VAL 169 Ca 0.65 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.73 1iug s VAL 169 Cb -0.34 -0.47 0.07 0.00 0.00 0.00 0.00 36.38 35.64 1iug s VAL 169 CO 0.28 -0.13 0.62 0.00 0.00 0.00 0.00 175.10 175.88 1iug s ALA 170 N -0.73 -1.63 0.00 5.51 0.00 -1.26 -4.59 121.76 119.07 1iug s ALA 170 Ca -0.04 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1iug s ALA 170 Cb -0.06 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1iug s ALA 170 CO 0.00 -0.55 0.00 -0.11 0.00 0.00 0.00 175.76 175.10 1iug n LEU 171 N 0.31 0.08 0.22 0.00 7.94 -1.12 -4.40 117.00 120.02 1iug n LEU 171 Ca -0.18 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.77 1iug n LEU 171 Cb 0.61 0.00 0.48 0.00 0.53 0.00 0.00 43.42 45.04 1iug n LEU 171 CO 0.18 0.00 0.87 1.05 -1.11 0.00 0.00 177.39 178.39 1iug h GLU 172 N 0.00 0.00 0.00 1.96 9.09 -1.73 0.12 114.58 124.02 1iug h GLU 172 Ca 0.00 -0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 1iug h GLU 172 Cb 0.00 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 1iug h GLU 172 CO 0.00 0.21 -0.25 0.00 0.05 0.00 0.00 179.01 179.03 1iug h ALA 173 N 1.79 1.46 -0.13 1.06 0.00 -1.86 -1.53 119.26 120.05 1iug h ALA 173 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1iug h ALA 173 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1iug h ALA 173 CO 0.03 0.31 0.00 -1.33 0.00 0.00 0.00 179.25 178.25 1iug n MET 174 N -4.05 2.11 -0.91 0.00 2.81 -0.90 -4.93 117.12 111.26 1iug n MET 174 Ca -0.02 -1.64 0.00 0.00 -1.81 0.00 0.00 57.70 54.23 1iug n MET 174 Cb 0.31 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 1iug n MET 174 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iug n GLY 175 N 1.31 0.51 3.71 3.03 0.00 -0.58 -4.13 105.19 109.04 1iug n GLY 175 Ca 0.17 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1iug n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iug s VAL 176 N -2.00 5.33 0.01 1.61 1.01 0.36 -4.70 120.40 122.01 1iug s VAL 176 Ca 0.00 0.41 0.09 0.00 0.00 0.00 0.00 61.98 62.48 1iug s VAL 176 Cb 0.00 -3.58 -0.23 0.00 0.00 0.00 0.00 36.38 32.57 1iug s VAL 176 CO 0.00 0.37 0.86 0.44 0.00 0.00 0.00 175.10 176.78 1iug h ASP 177 N 6.94 0.04 -4.36 3.32 3.32 -1.39 -2.98 116.42 121.31 1iug h ASP 177 Ca -0.40 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.47 1iug h ASP 177 Cb 1.16 -0.01 -0.22 0.00 0.22 0.00 0.00 39.33 40.48 1iug h ASP 177 CO 0.73 1.06 -0.22 0.00 -1.72 0.00 0.00 179.24 179.09 1iug s ALA 178 N -2.63 -0.98 0.04 3.45 0.00 -1.00 -1.44 121.76 119.19 1iug s ALA 178 Ca -0.04 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1iug s ALA 178 Cb 0.08 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 1iug s ALA 178 CO 0.82 -0.23 -0.04 0.00 0.00 0.00 0.00 175.76 176.31 1iug s ALA 179 N -0.44 0.39 0.06 0.00 0.00 -0.42 -0.48 121.76 120.88 1iug s ALA 179 Ca -0.06 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.10 1iug s ALA 179 Cb -0.03 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 1iug s ALA 179 CO 0.03 -0.21 -0.22 0.00 0.00 0.00 0.00 175.76 175.36 1iug s ALA 180 N -2.43 1.85 0.33 0.00 0.00 -0.66 -0.21 121.76 120.64 1iug s ALA 180 Ca -0.05 -1.14 -0.08 0.00 0.00 0.00 0.00 51.96 50.69 1iug s ALA 180 Cb -0.03 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1iug s ALA 180 CO -0.04 0.41 0.54 0.45 0.00 0.00 0.00 175.76 177.12 1iug s SER 181 N -1.40 0.47 0.31 0.00 0.15 -0.44 -0.68 113.70 112.12 1iug s SER 181 Ca 0.08 -1.27 0.05 0.00 0.70 0.00 0.00 55.95 55.51 1iug s SER 181 Cb -0.09 0.68 -0.03 0.00 -1.71 0.00 0.00 66.02 64.87 1iug s SER 181 CO 0.03 -1.34 0.23 -0.83 1.20 0.00 0.00 173.24 172.53 1iug s GLY 182 N -3.15 2.17 0.10 9.45 0.00 -1.26 -0.43 107.32 114.20 1iug s GLY 182 Ca 0.25 -1.92 0.21 0.00 0.00 0.00 0.00 44.72 43.26 1iug s GLY 182 CO 0.16 -1.50 0.81 -1.14 0.00 0.00 0.00 173.10 171.43 1iug n SER 183 N -1.25 0.62 -1.84 1.64 3.41 -1.07 -4.70 113.62 110.42 1iug n SER 183 Ca 0.05 0.25 -0.16 0.00 -0.26 0.00 0.00 58.87 58.75 1iug n SER 183 Cb 0.63 0.75 0.05 0.00 -0.26 0.00 0.00 64.21 65.38 1iug n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iug n GLN 184 N -2.64 1.78 -0.23 4.33 0.00 -1.24 -2.10 117.38 117.28 1iug n GLN 184 Ca -0.05 -1.58 0.22 0.00 0.00 0.00 0.00 57.00 55.59 1iug n GLN 184 Cb 0.66 -1.62 0.34 0.00 0.00 0.00 0.00 30.24 29.62 1iug n GLN 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1iug n GLY 186 N 0.18 -0.50 0.12 2.61 0.00 -1.26 -3.17 105.19 103.16 1iug n GLY 186 Ca 0.31 0.29 0.11 0.00 0.00 0.00 0.00 46.02 46.72 1iug n GLY 186 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iug n LEU 187 N -2.69 0.61 -2.83 0.99 4.77 -1.26 -4.86 117.00 111.72 1iug n LEU 187 Ca 0.18 0.65 -0.21 0.00 -0.03 0.00 0.00 56.01 56.60 1iug n LEU 187 Cb 1.03 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1iug n LEU 187 CO 0.18 -0.54 -0.09 0.23 -1.33 0.00 0.00 177.39 175.84 1iug n MET 188 N -2.17 -3.63 -4.14 3.23 2.81 -1.25 -4.87 117.12 107.10 1iug n MET 188 Ca 0.02 0.87 -0.24 0.00 -1.81 0.00 0.00 57.70 56.54 1iug n MET 188 Cb 0.22 -5.65 -0.07 0.00 -0.71 0.00 0.00 33.22 27.01 1iug n MET 188 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1iug s PRO 190 N -3.87 2.64 0.59 0.00 0.02 -1.26 -3.67 135.00 129.45 1iug s PRO 190 Ca 0.40 1.21 -0.17 0.00 0.02 0.00 0.00 61.00 62.46 1iug s PRO 190 Cb 0.02 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 1iug s PRO 190 CO 0.22 -1.35 1.10 -1.25 -0.33 0.00 0.00 177.00 175.38 1iug s PRO 191 N -4.58 3.17 0.00 5.54 0.04 -1.26 -4.08 135.00 133.83 1iug s PRO 191 Ca 0.63 1.41 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1iug s PRO 191 Cb -0.18 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1iug s PRO 191 CO 0.49 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.99 1iug n GLY 192 N -0.41 0.51 3.28 0.56 0.00 -1.26 -4.99 105.19 102.87 1iug n GLY 192 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1iug n GLY 192 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iug s LEU 193 N 0.00 2.27 0.05 0.99 1.43 -0.91 -1.66 118.68 120.85 1iug s LEU 193 Ca 0.00 -0.65 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 1iug s LEU 193 Cb 0.00 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.29 1iug s LEU 193 CO 0.00 0.08 -0.15 -0.83 0.23 0.00 0.00 176.35 175.69 1iug s GLY 194 N -1.72 0.84 -0.01 -3.19 0.00 0.30 -2.61 107.32 100.94 1iug s GLY 194 Ca 0.07 -0.91 0.06 0.00 0.00 0.00 0.00 44.72 43.93 1iug s GLY 194 CO 0.04 -0.91 -0.19 -1.36 0.00 0.00 0.00 173.10 170.68 1iug s PHE 195 N -1.02 1.70 -0.21 1.90 0.40 0.42 -0.21 117.98 120.96 1iug s PHE 195 Ca 0.01 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 1iug s PHE 195 Cb -0.09 -1.08 0.05 0.00 0.51 0.00 0.00 43.02 42.41 1iug s PHE 195 CO 0.02 -0.02 -0.06 0.08 0.70 0.00 0.00 175.22 175.94 1iug s VAL 196 N -0.48 1.40 -0.22 -0.44 1.01 -0.72 -1.33 120.40 119.62 1iug s VAL 196 Ca 0.07 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 1iug s VAL 196 Cb -0.07 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1iug s VAL 196 CO -0.00 -0.00 0.25 0.00 0.00 0.00 0.00 175.10 175.35 1iug s ALA 197 N 1.47 3.59 -0.15 5.51 0.00 0.71 -0.26 121.76 132.63 1iug s ALA 197 Ca -0.03 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1iug s ALA 197 Cb -0.17 -2.43 0.01 0.00 0.00 0.00 0.00 23.12 20.52 1iug s ALA 197 CO -0.07 -0.19 -0.20 -0.51 0.00 0.00 0.00 175.76 174.79 1iug s LEU 198 N 1.07 2.21 0.74 0.00 1.43 0.12 -1.30 118.68 122.95 1iug s LEU 198 Ca 0.12 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 1iug s LEU 198 Cb -0.14 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.63 1iug s LEU 198 CO 0.05 0.06 1.08 -0.94 0.23 0.00 0.00 176.35 176.83 1iug s SER 199 N 0.94 4.98 0.53 2.29 1.04 -0.52 -1.06 113.70 121.90 1iug s SER 199 Ca -0.04 1.49 0.25 0.00 0.48 0.00 0.00 55.95 58.13 1iug s SER 199 Cb -0.15 -2.30 1.38 0.00 0.10 0.00 0.00 66.02 65.05 1iug s SER 199 CO -0.04 -1.68 1.99 -0.65 0.98 0.00 0.00 173.24 173.84 1iug h PRO 200 N -0.89 0.02 -0.14 4.02 0.11 -1.89 -0.34 132.00 132.89 1iug h PRO 200 Ca -0.45 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1iug h PRO 200 Cb 1.24 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1iug h PRO 200 CO 0.58 0.01 0.02 -0.09 -0.21 0.00 0.00 178.00 178.30 1iug h ARG 201 N 0.02 0.24 -0.44 1.05 1.12 -1.91 -2.89 114.38 111.58 1iug h ARG 201 Ca 0.26 -0.07 -0.12 0.00 -1.11 0.00 0.00 59.98 58.93 1iug h ARG 201 Cb 1.00 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.92 1iug h ARG 201 CO -0.01 0.44 -0.22 0.00 -3.11 0.00 0.00 179.97 177.08 1iug h ALA 202 N 0.79 0.79 -0.25 2.80 0.00 -1.33 -2.93 119.26 119.13 1iug h ALA 202 Ca 0.04 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.61 1iug h ALA 202 Cb 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1iug h ALA 202 CO 0.00 0.65 0.17 -0.07 0.00 0.00 0.00 179.25 180.01 1iug h LEU 203 N 0.76 0.16 -0.01 0.00 3.38 -1.12 -0.69 115.31 117.80 1iug h LEU 203 Ca 0.10 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1iug h LEU 203 Cb 0.76 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1iug h LEU 203 CO 0.06 0.11 -0.10 -0.08 0.09 0.00 0.00 178.44 178.53 1iug h GLU 204 N 0.19 0.00 -0.62 1.13 4.81 -1.33 -3.23 114.58 115.53 1iug h GLU 204 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1iug h GLU 204 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1iug h GLU 204 CO -0.02 0.10 0.00 0.54 -0.73 0.00 0.00 179.01 178.90 1iug n ARG 205 N -3.12 3.01 -1.65 1.92 5.12 -0.32 -5.01 116.66 116.60 1iug n ARG 205 Ca 0.04 -2.60 -0.45 0.00 -1.93 0.00 0.00 57.85 52.90 1iug n ARG 205 Cb 0.57 -1.59 -0.04 0.00 -1.16 0.00 0.00 32.46 30.24 1iug n ARG 205 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1iug n LEU 206 N 1.23 3.72 -4.06 0.55 7.94 -0.87 -4.81 117.00 120.70 1iug n LEU 206 Ca 0.22 0.84 -0.35 0.00 -1.11 0.00 0.00 56.01 55.61 1iug n LEU 206 Cb 0.66 -1.46 -0.06 0.00 0.53 0.00 0.00 43.42 43.08 1iug n LEU 206 CO 0.17 -0.02 0.35 0.29 -1.11 0.00 0.00 177.39 177.06 1iug n LYS 207 N 7.35 2.68 -1.66 1.96 4.76 0.80 -5.02 118.16 129.03 1iug n LYS 207 Ca 0.23 -4.50 -0.47 0.00 -2.87 0.00 0.00 58.31 50.70 1iug n LYS 207 Cb 0.36 -2.40 -0.05 0.00 -1.84 0.00 0.00 35.03 31.10 1iug n LYS 207 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1iug n PRO 208 N 2.15 2.00 -3.58 1.97 -0.02 -1.26 -4.28 135.00 131.97 1iug n PRO 208 Ca 0.22 0.72 -0.12 0.00 -2.02 0.00 0.00 63.50 62.31 1iug n PRO 208 Cb 0.37 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.31 1iug n PRO 208 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1iug s ARG 209 N 1.33 0.66 0.00 -0.52 3.00 -1.26 -5.03 118.95 117.14 1iug s ARG 209 Ca 0.82 0.29 0.00 0.00 -1.00 0.00 0.00 55.73 55.83 1iug s ARG 209 Cb -0.73 0.32 0.00 0.00 0.00 0.00 0.00 34.95 34.54 1iug s ARG 209 CO 0.41 -0.18 0.00 0.41 0.00 0.00 0.00 175.30 175.94 1iug n GLY 210 N 1.13 -0.86 0.86 8.12 0.00 -1.26 -4.23 105.19 108.94 1iug n GLY 210 Ca -0.12 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.74 1iug n GLY 210 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1iug n TYR 211 N 0.00 0.00 -0.34 1.61 9.36 -1.26 -4.54 117.16 121.99 1iug n TYR 211 Ca 0.00 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.19 1iug n TYR 211 Cb 0.00 0.05 0.09 0.00 -0.63 0.00 0.00 39.34 38.86 1iug n TYR 211 CO 0.00 0.00 0.00 -0.92 0.22 0.00 0.00 176.86 176.16 1iug h TYR 212 N 0.00 1.15 -0.55 2.98 3.20 -2.05 -2.84 116.97 118.86 1iug h TYR 212 Ca 0.00 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 1iug h TYR 212 Cb 0.00 -0.39 -0.06 0.00 1.54 0.00 0.00 36.73 37.82 1iug h TYR 212 CO 0.00 0.73 0.13 1.47 -1.64 0.00 0.00 178.16 178.85 1iug n LEU 213 N -4.44 5.13 -4.61 2.82 -0.00 -1.26 -4.91 117.00 109.73 1iug n LEU 213 Ca 0.10 -2.64 -0.43 0.00 -0.00 0.00 0.00 56.01 53.05 1iug n LEU 213 Cb 0.01 -0.68 -0.03 0.00 -0.00 0.00 0.00 43.42 42.73 1iug n LEU 213 CO 0.37 0.65 1.44 -0.62 -0.00 0.00 0.00 177.39 179.23 1iug s ASP 214 N -0.68 6.10 0.34 1.45 -1.08 -1.08 -4.87 116.67 116.86 1iug s ASP 214 Ca 0.44 1.31 0.14 0.00 -0.52 0.00 0.00 52.55 53.92 1iug s ASP 214 Cb 0.35 -2.53 0.59 0.00 -1.46 0.00 0.00 42.92 39.87 1iug s ASP 214 CO 0.12 -1.54 1.73 -0.07 0.52 0.00 0.00 175.17 175.93 1iug h LEU 215 N 12.88 0.00 -0.74 -1.34 4.07 -1.91 -3.01 115.31 125.27 1iug h LEU 215 Ca -0.33 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.56 1iug h LEU 215 Cb 1.15 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.86 1iug h LEU 215 CO 1.03 0.46 0.16 0.00 -1.08 0.00 0.00 178.44 179.02 1iug h ALA 216 N 1.54 0.96 0.28 1.53 0.00 -1.97 0.13 119.26 121.72 1iug h ALA 216 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1iug h ALA 216 Cb 0.88 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1iug h ALA 216 CO 0.06 0.67 -0.32 -0.09 0.00 0.00 0.00 179.25 179.57 1iug h ARG 217 N 1.06 -0.62 -0.79 0.00 1.12 -1.94 -2.38 114.38 110.83 1iug h ARG 217 Ca 0.22 0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 59.09 1iug h ARG 217 Cb 0.38 0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 30.44 1iug h ARG 217 CO 0.00 -0.41 0.31 0.93 -3.11 0.00 0.00 179.97 177.69 1iug h GLU 218 N -0.64 1.18 -0.66 0.20 4.39 -1.37 -2.90 114.58 114.78 1iug h GLU 218 Ca -0.01 -0.21 0.01 0.00 0.34 0.00 0.00 59.36 59.49 1iug h GLU 218 Cb 0.60 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 1iug h GLU 218 CO -0.09 0.95 0.43 1.25 -1.16 0.00 0.00 179.01 180.40 1iug h LEU 219 N 1.15 0.73 -0.19 1.33 5.85 -0.60 0.48 115.31 124.04 1iug h LEU 219 Ca 0.26 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.98 1iug h LEU 219 Cb 0.22 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1iug h LEU 219 CO -0.02 0.52 0.11 0.11 -0.34 0.00 0.00 178.44 178.82 1iug h LYS 220 N 0.86 0.23 -0.09 1.25 1.79 -1.30 -2.59 116.57 116.72 1iug h LYS 220 Ca 0.25 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.60 1iug h LYS 220 Cb -0.06 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 1iug h LYS 220 CO -0.07 0.15 -0.35 0.00 -1.08 0.00 0.00 179.45 178.10 1iug h ALA 221 N 1.09 0.16 0.00 3.86 0.00 -1.27 -3.29 119.26 119.80 1iug h ALA 221 Ca 0.08 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1iug h ALA 221 Cb -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1iug h ALA 221 CO -0.04 0.24 0.00 1.96 0.00 0.00 0.00 179.25 181.41 1iug h GLN 222 N -0.06 0.00 -0.37 0.00 4.20 0.22 -2.02 115.11 117.07 1iug h GLN 222 Ca -0.02 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1iug h GLN 222 Cb 0.99 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 1iug h GLN 222 CO 0.07 0.00 -0.03 0.87 -0.67 0.00 0.00 178.83 179.07 1iug h LYS 223 N 0.00 0.61 -0.33 1.46 1.79 -1.53 -2.43 116.57 116.13 1iug h LYS 223 Ca 0.00 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1iug h LYS 223 Cb 0.31 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1iug h LYS 223 CO 0.00 0.65 0.00 0.39 -1.08 0.00 0.00 179.45 179.41 1iug n GLU 224 N -4.24 2.11 -0.68 3.15 4.71 -0.89 -4.93 120.64 119.86 1iug n GLU 224 Ca 0.02 -1.68 0.00 0.00 -0.01 0.00 0.00 57.16 55.48 1iug n GLU 224 Cb 0.28 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.28 1iug n GLU 224 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iug n GLY 225 N 1.30 0.59 0.00 0.62 0.00 -0.92 -4.97 105.19 101.81 1iug n GLY 225 Ca 0.17 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1iug n GLY 225 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iug n GLU 226 N -2.68 2.54 -3.81 1.61 1.02 -0.81 -4.29 120.64 114.22 1iug n GLU 226 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1iug n GLU 226 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1iug n GLU 226 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1iug s SER 227 N -0.07 -0.17 0.18 1.62 1.04 -1.26 -2.60 113.70 112.44 1iug s SER 227 Ca 0.00 -0.60 -0.13 0.00 0.48 0.00 0.00 55.95 55.71 1iug s SER 227 Cb 0.00 0.54 0.14 0.00 0.10 0.00 0.00 66.02 66.80 1iug s SER 227 CO 0.00 -1.02 1.80 0.00 0.98 0.00 0.00 173.24 175.00 1iug h ALA 228 N 2.29 0.68 -4.65 5.32 0.00 -1.86 -3.45 119.26 117.59 1iug h ALA 228 Ca -0.29 0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.19 1iug h ALA 228 Cb 1.25 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 1iug h ALA 228 CO 0.40 -0.05 -0.35 0.91 0.00 0.00 0.00 179.25 180.16 1iug n TRP 229 N -4.85 0.37 -2.02 0.00 7.02 -1.26 -5.09 117.44 111.62 1iug n TRP 229 Ca 0.05 -1.93 -0.42 0.00 -1.02 0.00 0.00 57.50 54.17 1iug n TRP 229 Cb 0.12 -0.09 -0.03 0.00 -2.42 0.00 0.00 31.31 28.90 1iug n TRP 229 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1iug s THR 230 N -2.58 3.59 0.49 -0.99 2.01 -1.26 -4.99 115.64 111.91 1iug s THR 230 Ca 0.10 0.73 -0.04 0.00 0.31 0.00 0.00 61.69 62.78 1iug s THR 230 Cb 0.00 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 1iug s THR 230 CO 0.07 -0.06 0.78 -2.16 -0.69 0.00 0.00 174.62 172.56 1iug s PRO 231 N 3.95 3.37 -1.30 4.92 0.04 -1.26 -4.95 135.00 139.77 1iug s PRO 231 Ca 0.73 0.05 -0.15 0.00 0.04 0.00 0.00 61.00 61.67 1iug s PRO 231 Cb -0.33 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 31.79 1iug s PRO 231 CO 0.29 -0.28 2.22 0.00 0.04 0.00 0.00 177.00 179.28 1iug n ALA 232 N -2.27 5.21 -0.33 8.56 0.00 -1.26 -4.74 120.51 125.67 1iug n ALA 232 Ca 0.01 -3.66 0.22 0.00 0.00 0.00 0.00 53.44 50.01 1iug n ALA 232 Cb 0.56 -3.53 0.49 0.00 0.00 0.00 0.00 19.45 16.96 1iug n ALA 232 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1iug h ILE 233 N 4.00 0.51 -0.90 0.00 6.09 -1.94 -0.48 117.51 124.78 1iug h ILE 233 Ca 0.56 -0.15 0.01 0.00 -1.37 0.00 0.00 64.86 63.92 1iug h ILE 233 Cb 0.60 0.05 -0.04 0.00 0.47 0.00 0.00 36.82 37.89 1iug h ILE 233 CO 1.88 0.08 0.60 0.78 -3.07 0.00 0.00 178.15 178.42 1iug h ASN 234 N 0.42 1.03 0.50 2.19 4.21 -1.93 -1.78 115.58 120.23 1iug h ASN 234 Ca 0.62 -0.03 -0.13 0.00 1.21 0.00 0.00 56.30 57.97 1iug h ASN 234 Cb 1.48 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 38.41 1iug h ASN 234 CO -0.34 0.75 -0.58 -0.07 -1.29 0.00 0.00 177.43 175.90 1iug h LEU 235 N 1.22 0.09 -1.06 1.61 4.07 -1.50 -2.88 115.31 116.86 1iug h LEU 235 Ca 0.33 -0.05 -0.08 0.00 0.08 0.00 0.00 57.88 58.16 1iug h LEU 235 Cb -0.14 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.56 1iug h LEU 235 CO -0.07 0.65 -0.23 0.58 -1.08 0.00 0.00 178.44 178.28 1iug h VAL 236 N 0.06 1.25 -0.55 1.22 2.07 -0.88 -1.44 116.25 117.99 1iug h VAL 236 Ca -0.00 -1.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.27 1iug h VAL 236 Cb 1.04 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1iug h VAL 236 CO 0.08 0.37 0.03 -0.07 0.02 0.00 0.00 177.57 178.00 1iug h LEU 237 N 0.35 0.88 -0.24 2.57 3.38 -1.15 -1.61 115.31 119.47 1iug h LEU 237 Ca 0.06 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1iug h LEU 237 Cb 0.60 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1iug h LEU 237 CO 0.04 0.92 -0.21 0.00 0.09 0.00 0.00 178.44 179.28 1iug h ALA 238 N 1.18 0.36 -0.64 1.53 0.00 -1.30 -2.14 119.26 118.24 1iug h ALA 238 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1iug h ALA 238 Cb 0.46 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1iug h ALA 238 CO 0.02 0.30 0.41 0.28 0.00 0.00 0.00 179.25 180.25 1iug h VAL 239 N 0.28 1.18 -0.15 0.00 2.07 -1.09 -1.70 116.25 116.84 1iug h VAL 239 Ca 0.04 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1iug h VAL 239 Cb 0.76 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1iug h VAL 239 CO 0.05 0.18 0.08 0.00 0.02 0.00 0.00 177.57 177.90 1iug h ALA 240 N 1.22 0.19 -0.73 1.67 0.00 -1.26 -1.59 119.26 118.76 1iug h ALA 240 Ca 0.23 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1iug h ALA 240 Cb -0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1iug h ALA 240 CO -0.05 -0.28 0.47 0.00 0.00 0.00 0.00 179.25 179.40 1iug h ALA 241 N 0.98 0.93 -0.23 0.00 0.00 -1.18 -1.32 119.26 118.45 1iug h ALA 241 Ca 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1iug h ALA 241 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1iug h ALA 241 CO -0.01 0.31 0.01 0.28 0.00 0.00 0.00 179.25 179.84 1iug h VAL 242 N 0.96 1.25 -0.44 0.00 2.07 -1.15 -2.87 116.25 116.07 1iug h VAL 242 Ca 0.27 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 1iug h VAL 242 Cb -0.07 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1iug h VAL 242 CO -0.07 0.27 0.10 -0.07 0.02 0.00 0.00 177.57 177.82 1iug h LEU 243 N 0.17 0.60 -1.06 2.57 3.38 -1.11 -0.33 115.31 119.53 1iug h LEU 243 Ca 0.07 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1iug h LEU 243 Cb 0.39 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1iug h LEU 243 CO 0.01 0.60 0.08 -0.33 0.09 0.00 0.00 178.44 178.89 1iug h GLU 244 N 0.63 0.75 0.21 1.13 5.08 -1.16 -0.08 114.58 121.14 1iug h GLU 244 Ca 0.14 -0.16 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 1iug h GLU 244 Cb 0.24 -0.11 0.03 0.00 0.50 0.00 0.00 28.75 29.41 1iug h GLU 244 CO -0.00 0.71 -1.42 1.49 -1.00 0.00 0.00 179.01 178.78 1iug h GLU 245 N 0.72 0.44 0.10 2.33 4.22 -1.24 -3.40 114.58 117.76 1iug h GLU 245 Ca 0.15 -0.76 -0.24 0.00 0.08 0.00 0.00 59.36 58.60 1iug h GLU 245 Cb 0.33 0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1iug h GLU 245 CO 0.00 1.36 -1.19 0.28 -2.18 0.00 0.00 179.01 177.28 1iug h VAL 246 N 0.12 1.16 -0.82 0.32 2.07 -0.97 -3.40 116.25 114.73 1iug h VAL 246 Ca -0.22 -2.41 0.20 0.00 0.82 0.00 0.00 66.70 65.09 1iug h VAL 246 Cb 2.10 2.81 -0.12 0.00 -1.52 0.00 0.00 31.29 34.56 1iug h VAL 246 CO 0.25 0.67 0.24 -0.07 0.02 0.00 0.00 177.57 178.67 1iug h LEU 247 N -0.42 0.07 -2.46 2.57 -0.00 -1.22 -0.50 115.31 113.35 1iug h LEU 247 Ca -0.26 0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 1iug h LEU 247 Cb 1.65 0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 42.52 1iug h LEU 247 CO 0.05 -0.07 -0.02 -0.65 -0.00 0.00 0.00 178.44 177.75 1iug h PRO 248 N 0.28 0.00 -0.47 1.13 0.11 -1.78 -2.57 132.00 128.70 1iug h PRO 248 Ca 0.49 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 66.25 1iug h PRO 248 Cb 0.91 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.71 1iug h PRO 248 CO -0.56 0.02 -0.77 0.54 -0.21 0.00 0.00 178.00 177.02 1iug n ARG 249 N -3.37 2.68 0.02 1.05 5.12 -0.27 -4.91 116.66 116.98 1iug n ARG 249 Ca -0.02 -3.76 -0.11 0.00 -1.93 0.00 0.00 57.85 52.03 1iug n ARG 249 Cb 0.14 -1.92 -0.05 0.00 -1.16 0.00 0.00 32.46 29.47 1iug n ARG 249 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1iug h LEU 250 N 1.83 -1.02 -1.37 0.55 5.85 -0.93 -1.05 115.31 119.17 1iug h LEU 250 Ca 0.19 0.14 0.01 0.00 0.84 0.00 0.00 57.88 59.05 1iug h LEU 250 Cb 1.38 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 42.80 1iug h LEU 250 CO 0.46 -0.37 0.41 -0.33 -0.34 0.00 0.00 178.44 178.27 1iug h GLU 251 N -0.43 0.83 -0.61 1.25 4.39 -1.89 0.14 114.58 118.27 1iug h GLU 251 Ca 0.08 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.64 1iug h GLU 251 Cb 0.56 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1iug h GLU 251 CO -0.33 0.56 0.03 1.49 -1.16 0.00 0.00 179.01 179.59 1iug h GLU 252 N 0.86 1.03 -0.35 2.33 4.81 -1.85 -1.04 114.58 120.38 1iug h GLU 252 Ca 0.23 -0.30 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 1iug h GLU 252 Cb -0.09 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1iug h GLU 252 CO -0.05 0.99 -0.26 1.25 -0.73 0.00 0.00 179.01 180.22 1iug h HIS 253 N 0.95 0.93 -0.47 0.92 2.76 -0.07 -2.04 115.15 118.13 1iug h HIS 253 Ca 0.18 -0.26 -0.08 0.00 -2.20 0.00 0.00 60.37 58.01 1iug h HIS 253 Cb 0.51 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 1iug h HIS 253 CO 0.03 1.02 -0.04 -0.07 -1.30 0.00 0.00 177.93 177.57 1iug h LEU 254 N 0.57 0.79 -0.59 0.26 3.38 -0.59 -2.07 115.31 117.06 1iug h LEU 254 Ca 0.07 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1iug h LEU 254 Cb 0.83 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1iug h LEU 254 CO 0.07 0.89 -0.01 0.00 0.09 0.00 0.00 178.44 179.47 1iug h ALA 255 N 1.20 0.79 -0.28 1.53 0.00 -1.10 -2.30 119.26 119.10 1iug h ALA 255 Ca 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1iug h ALA 255 Cb 0.52 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1iug h ALA 255 CO 0.03 0.64 0.13 1.25 0.00 0.00 0.00 179.25 181.30 1iug h LEU 256 N 0.94 0.37 -1.11 0.00 5.85 -1.12 -1.45 115.31 118.80 1iug h LEU 256 Ca 0.16 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1iug h LEU 256 Cb 0.57 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1iug h LEU 256 CO 0.03 0.40 0.09 0.11 -0.34 0.00 0.00 178.44 178.73 1iug h LYS 257 N 0.32 0.72 -0.20 1.25 1.79 -1.28 -0.15 116.57 119.02 1iug h LYS 257 Ca 0.10 -0.15 -0.16 0.00 -2.18 0.00 0.00 60.65 58.26 1iug h LYS 257 Cb 0.13 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1iug h LYS 257 CO -0.01 0.67 -0.53 0.00 -1.08 0.00 0.00 179.45 178.50 1iug h ALA 258 N 1.40 0.70 -0.26 3.86 0.00 -1.28 -2.42 119.26 121.27 1iug h ALA 258 Ca 0.15 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1iug h ALA 258 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1iug h ALA 258 CO 0.00 0.68 -0.04 2.35 0.00 0.00 0.00 179.25 182.24 1iug h TRP 259 N 0.45 0.54 -0.78 0.00 7.01 -0.80 -1.43 115.95 120.94 1iug h TRP 259 Ca 0.01 -0.11 -0.01 0.00 2.11 0.00 0.00 58.89 60.90 1iug h TRP 259 Cb 1.07 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.96 1iug h TRP 259 CO 0.05 0.68 0.46 1.96 -2.79 0.00 0.00 178.44 178.80 1iug h GLN 260 N 0.24 1.06 -0.29 2.65 4.20 -1.00 0.87 115.11 122.85 1iug h GLN 260 Ca 0.07 -0.10 -0.16 0.00 0.06 0.00 0.00 58.65 58.52 1iug h GLN 260 Cb 0.50 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1iug h GLN 260 CO 0.02 0.76 -0.45 -0.97 -0.67 0.00 0.00 178.83 177.52 1iug h ASN 261 N 1.07 0.82 0.24 1.46 -1.24 -1.40 -2.43 115.58 114.09 1iug h ASN 261 Ca 0.28 -0.40 -0.06 0.00 0.71 0.00 0.00 56.30 56.84 1iug h ASN 261 Cb -0.02 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.79 1iug h ASN 261 CO -0.05 1.15 -0.25 0.00 -1.29 0.00 0.00 177.43 176.99 1iug h ALA 262 N 0.88 1.56 -0.43 1.57 0.00 -0.79 -1.85 119.26 120.20 1iug h ALA 262 Ca 0.04 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1iug h ALA 262 Cb 1.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1iug h ALA 262 CO 0.10 0.33 -0.01 1.25 0.00 0.00 0.00 179.25 180.92 1iug h LEU 263 N 0.02 0.76 -0.51 0.00 5.85 -0.45 -0.54 115.31 120.44 1iug h LEU 263 Ca 0.00 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 1iug h LEU 263 Cb 0.46 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1iug h LEU 263 CO 0.03 0.89 0.09 -0.07 -0.34 0.00 0.00 178.44 179.04 1iug h LEU 264 N 0.60 0.80 -0.53 2.25 3.38 -0.95 -2.00 115.31 118.87 1iug h LEU 264 Ca 0.12 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 1iug h LEU 264 Cb 0.51 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1iug h LEU 264 CO 0.02 0.85 -0.08 1.88 0.09 0.00 0.00 178.44 181.21 1iug h TYR 265 N 0.72 1.11 -0.98 1.13 0.99 -1.28 -2.31 116.97 116.34 1iug h TYR 265 Ca 0.16 -0.22 0.01 0.00 2.00 0.00 0.00 58.73 60.67 1iug h TYR 265 Cb 0.39 -0.28 -0.05 0.00 1.00 0.00 0.00 36.73 37.79 1iug h TYR 265 CO 0.03 1.03 0.65 0.78 -0.00 0.00 0.00 178.16 180.65 1iug h GLY 266 N 0.87 1.38 0.88 3.88 0.00 -0.89 0.04 103.07 109.23 1iug h GLY 266 Ca 0.14 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 1iug h GLY 266 CO 0.04 0.51 -0.30 -2.08 0.00 0.00 0.00 176.54 174.71 1iug h VAL 267 N 1.33 1.33 -0.56 4.60 2.07 -1.28 -1.78 116.25 121.96 1iug h VAL 267 Ca 0.36 -1.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 1iug h VAL 267 Cb -0.15 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1iug h VAL 267 CO -0.08 0.46 0.13 1.23 0.02 0.00 0.00 177.57 179.33 1iug h GLY 268 N 0.23 0.97 1.22 2.17 0.00 -1.16 -2.57 103.07 103.93 1iug h GLY 268 Ca 0.02 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.62 1iug h GLY 268 CO 0.07 0.57 -0.18 0.83 0.00 0.00 0.00 176.54 177.83 1iug h GLU 269 N 0.80 0.90 -0.07 4.80 5.08 -1.03 -0.21 114.58 124.85 1iug h GLU 269 Ca 0.17 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1iug h GLU 269 Cb 0.36 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1iug h GLU 269 CO 0.00 1.01 0.07 1.49 -1.00 0.00 0.00 179.01 180.58 1iug h GLU 270 N 0.79 0.00 -0.64 2.33 4.81 -1.13 0.23 114.58 120.97 1iug h GLU 270 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1iug h GLU 270 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1iug h GLU 270 CO 0.06 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.75 1iug n GLY 271 N -1.38 2.16 1.47 1.92 0.00 -0.77 -4.96 105.19 103.63 1iug n GLY 271 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1iug n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iug n GLY 272 N 1.59 0.58 3.84 -0.02 0.00 0.82 -5.06 105.19 106.94 1iug n GLY 272 Ca 0.23 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1iug n GLY 272 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iug s LEU 273 N 0.00 4.00 -0.19 0.99 1.43 -0.16 -4.98 118.68 119.77 1iug s LEU 273 Ca 0.00 1.45 -0.12 0.00 -1.03 0.00 0.00 54.13 54.44 1iug s LEU 273 Cb 0.00 -4.28 -0.05 0.00 0.03 0.00 0.00 46.19 41.89 1iug s LEU 273 CO 0.00 -0.28 0.21 -0.13 0.23 0.00 0.00 176.35 176.38 1iug s ARG 274 N -3.11 4.20 0.42 1.70 1.81 -1.26 -4.34 118.95 118.37 1iug s ARG 274 Ca 0.58 -0.08 -0.24 0.00 -1.72 0.00 0.00 55.73 54.27 1iug s ARG 274 Cb -0.10 -3.44 -0.08 0.00 -0.45 0.00 0.00 34.95 30.88 1iug s ARG 274 CO 0.16 0.23 1.10 -2.14 -0.68 0.00 0.00 175.30 173.96 1iug s PRO 275 N 0.55 4.02 -0.09 3.54 0.02 -1.26 -1.59 135.00 140.18 1iug s PRO 275 Ca 0.12 1.62 -0.28 0.00 0.02 0.00 0.00 61.00 62.48 1iug s PRO 275 Cb -0.12 -2.50 -0.24 0.00 0.02 0.00 0.00 34.50 31.66 1iug s PRO 275 CO 0.02 -0.30 0.96 0.28 -0.33 0.00 0.00 177.00 177.63 1iug h VAL 276 N 2.09 1.62 -3.49 3.83 2.07 -1.45 -3.45 116.25 117.46 1iug h VAL 276 Ca -0.49 -1.86 -0.45 0.00 0.82 0.00 0.00 66.70 64.72 1iug h VAL 276 Cb 1.23 2.88 0.08 0.00 -1.52 0.00 0.00 31.29 33.96 1iug h VAL 276 CO 0.62 0.48 0.21 -2.16 0.02 0.00 0.00 177.57 176.73 1iug s PRO 277 N -3.01 2.03 -0.26 1.57 0.04 -1.26 -4.75 135.00 129.36 1iug s PRO 277 Ca -0.18 -0.41 -0.06 0.00 0.04 0.00 0.00 61.00 60.39 1iug s PRO 277 Cb -0.01 -2.19 -0.14 0.00 0.04 0.00 0.00 34.50 32.20 1iug s PRO 277 CO 0.68 -1.32 -0.28 1.63 0.04 0.00 0.00 177.00 177.74 1iug n LYS 278 N -2.94 0.60 -3.42 4.56 4.76 -1.22 -4.85 118.16 115.65 1iug n LYS 278 Ca 0.09 0.20 -0.41 0.00 -2.87 0.00 0.00 58.31 55.32 1iug n LYS 278 Cb 0.60 -1.48 -0.10 0.00 -1.84 0.00 0.00 35.03 32.22 1iug n LYS 278 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1iug s ARG 279 N -2.49 3.50 0.01 1.97 1.81 -1.26 -5.06 118.95 117.42 1iug s ARG 279 Ca -0.35 -0.51 -0.28 0.00 -1.72 0.00 0.00 55.73 52.87 1iug s ARG 279 Cb 0.11 -3.82 -0.04 0.00 -0.45 0.00 0.00 34.95 30.75 1iug s ARG 279 CO 0.53 -0.54 0.91 -0.06 -0.68 0.00 0.00 175.30 175.45 1iug s PHE 280 N 1.96 3.68 -0.10 -0.53 2.99 -1.26 -1.78 117.98 122.93 1iug s PHE 280 Ca 0.10 1.61 -0.13 0.00 0.00 0.00 0.00 56.93 58.52 1iug s PHE 280 Cb -0.17 -3.02 -0.05 0.00 0.00 0.00 0.00 43.02 39.78 1iug s PHE 280 CO 0.11 0.07 0.30 0.45 -0.00 0.00 0.00 175.22 176.16 1iug s SER 281 N 0.70 6.55 0.00 1.36 0.15 -0.56 -4.59 113.70 117.31 1iug s SER 281 Ca 0.47 0.65 0.11 0.00 0.70 0.00 0.00 55.95 57.88 1iug s SER 281 Cb -0.21 -2.18 0.56 0.00 -1.71 0.00 0.00 66.02 62.48 1iug s SER 281 CO 0.26 0.23 1.21 -2.65 1.20 0.00 0.00 173.24 173.50 1iug n PRO 282 N 2.68 0.18 0.14 5.44 -0.02 -1.26 -3.17 135.00 139.00 1iug n PRO 282 Ca -0.14 0.15 0.03 0.00 -2.02 0.00 0.00 63.50 61.52 1iug n PRO 282 Cb 0.53 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.54 1iug n PRO 282 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iug h ALA 283 N 2.53 0.69 -2.16 3.55 0.00 -1.90 -3.44 119.26 118.54 1iug h ALA 283 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.52 1iug h ALA 283 Cb 0.08 -0.08 -0.18 0.00 0.00 0.00 0.00 17.79 17.62 1iug h ALA 283 CO 0.00 0.60 0.39 0.54 0.00 0.00 0.00 179.25 180.78 1iug s VAL 284 N -2.97 0.00 -0.23 0.00 0.11 -1.19 -4.48 120.40 111.64 1iug s VAL 284 Ca 0.04 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1iug s VAL 284 Cb 0.07 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.93 1iug s VAL 284 CO 0.74 0.00 -0.07 0.00 -3.33 0.00 0.00 175.10 172.44 1iug s ALA 285 N -2.28 2.69 -0.17 1.54 0.00 0.10 -4.57 121.76 119.07 1iug s ALA 285 Ca -0.01 -1.30 -0.04 0.00 0.00 0.00 0.00 51.96 50.61 1iug s ALA 285 Cb -0.01 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 1iug s ALA 285 CO -0.03 -0.57 -0.03 0.00 0.00 0.00 0.00 175.76 175.13 1iug s ALA 286 N 1.39 2.96 0.06 0.00 0.00 -1.26 -1.96 121.76 122.95 1iug s ALA 286 Ca 0.03 -0.92 0.07 0.00 0.00 0.00 0.00 51.96 51.15 1iug s ALA 286 Cb -0.15 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 1iug s ALA 286 CO -0.05 0.03 -0.20 -0.06 0.00 0.00 0.00 175.76 175.48 1iug s PHE 287 N 0.68 1.75 0.34 0.00 0.40 -0.93 -1.19 117.98 119.03 1iug s PHE 287 Ca -0.02 -0.39 -0.24 0.00 -0.60 0.00 0.00 56.93 55.69 1iug s PHE 287 Cb -0.14 -1.02 -0.10 0.00 0.51 0.00 0.00 43.02 42.27 1iug s PHE 287 CO 0.02 0.12 0.91 0.71 0.70 0.00 0.00 175.22 177.69 1iug s TYR 288 N -0.92 3.58 0.36 0.36 1.51 -0.62 -1.47 117.35 120.15 1iug s TYR 288 Ca 0.07 1.68 -0.27 0.00 -1.01 0.00 0.00 57.07 57.54 1iug s TYR 288 Cb -0.09 -2.86 -0.09 0.00 -0.11 0.00 0.00 41.96 38.81 1iug s TYR 288 CO 0.02 0.14 1.14 -0.51 -1.11 0.00 0.00 175.55 175.24 1iug s LEU 289 N -2.35 4.31 0.84 -1.29 1.43 0.02 -4.46 118.68 117.18 1iug s LEU 289 Ca 0.52 2.30 -0.11 0.00 -1.03 0.00 0.00 54.13 55.81 1iug s LEU 289 Cb -0.16 -3.90 0.10 0.00 0.03 0.00 0.00 46.19 42.26 1iug s LEU 289 CO 0.21 -0.47 1.14 -2.84 0.23 0.00 0.00 176.35 174.62 1iug s PRO 290 N -2.03 1.61 0.18 1.29 0.02 -1.26 -4.89 135.00 129.91 1iug s PRO 290 Ca 0.53 1.47 -0.32 0.00 0.02 0.00 0.00 61.00 62.70 1iug s PRO 290 Cb -0.30 -1.80 -0.11 0.00 0.02 0.00 0.00 34.50 32.30 1iug s PRO 290 CO 0.39 -2.18 1.75 -2.00 -0.33 0.00 0.00 177.00 174.63 1iug s GLU 291 N -4.58 4.13 0.00 5.54 2.56 -1.26 -2.74 118.70 122.35 1iug s GLU 291 Ca 0.66 2.59 0.00 0.00 0.00 0.00 0.00 54.97 58.22 1iug s GLU 291 Cb -0.22 -3.26 0.00 0.00 2.00 0.00 0.00 34.13 32.65 1iug s GLU 291 CO 0.55 -0.78 0.00 0.41 -0.56 0.00 0.00 175.26 174.88 1iug n GLY 292 N 4.05 2.72 3.56 -1.50 0.00 -1.26 -5.03 105.19 107.74 1iug n GLY 292 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1iug n GLY 292 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iug s VAL 293 N -2.08 5.15 0.78 1.61 0.11 -1.11 -5.09 120.40 119.77 1iug s VAL 293 Ca 0.00 0.06 -0.11 0.00 -2.93 0.00 0.00 61.98 59.00 1iug s VAL 293 Cb 0.00 -3.47 0.06 0.00 -1.53 0.00 0.00 36.38 31.44 1iug s VAL 293 CO 0.00 0.23 1.10 -2.84 -3.33 0.00 0.00 175.10 170.26 1iug s PRO 294 N 1.73 2.16 0.30 1.54 0.02 -1.26 -4.59 135.00 134.90 1iug s PRO 294 Ca 0.07 1.24 -0.01 0.00 0.02 0.00 0.00 61.00 62.31 1iug s PRO 294 Cb -0.16 -1.88 0.46 0.00 0.02 0.00 0.00 34.50 32.93 1iug s PRO 294 CO 0.10 -1.73 1.94 -0.92 -0.33 0.00 0.00 177.00 176.06 1iug h TYR 295 N -1.10 0.97 -0.62 6.54 3.20 -1.92 -2.74 116.97 121.30 1iug h TYR 295 Ca -0.44 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.54 1iug h TYR 295 Cb 1.24 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 1iug h TYR 295 CO 0.57 0.65 0.42 0.00 -1.64 0.00 0.00 178.16 178.15 1iug h ALA 296 N 1.46 2.09 -0.22 1.82 0.00 -1.97 0.07 119.26 122.51 1iug h ALA 296 Ca 0.27 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 1iug h ALA 296 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1iug h ALA 296 CO -0.05 -0.23 -0.53 0.00 0.00 0.00 0.00 179.25 178.44 1iug h ARG 297 N 0.36 0.75 -0.30 0.00 2.47 -1.87 -0.02 114.38 115.78 1iug h ARG 297 Ca 0.29 -0.51 -0.06 0.00 -1.26 0.00 0.00 59.98 58.44 1iug h ARG 297 Cb 0.65 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 1iug h ARG 297 CO -0.08 1.14 -0.05 0.28 0.56 0.00 0.00 179.97 181.82 1iug h VAL 298 N 0.48 1.27 0.10 2.04 2.07 -1.46 -1.20 116.25 119.54 1iug h VAL 298 Ca -0.00 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.48 1iug h VAL 298 Cb 1.15 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 1iug h VAL 298 CO 0.12 0.34 -0.21 0.50 0.02 0.00 0.00 177.57 178.34 1iug h LYS 299 N 0.34 -0.37 -0.38 1.57 3.11 -0.98 -2.37 116.57 117.49 1iug h LYS 299 Ca 0.08 0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 57.86 1iug h LYS 299 Cb 0.52 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.82 1iug h LYS 299 CO 0.03 -0.25 -0.11 1.49 -2.81 0.00 0.00 179.45 177.80 1iug h GLU 300 N -0.39 0.66 -0.31 1.90 4.81 -0.97 -1.66 114.58 118.62 1iug h GLU 300 Ca 0.03 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 1iug h GLU 300 Cb 0.41 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1iug h GLU 300 CO -0.12 0.75 -0.13 0.00 -0.73 0.00 0.00 179.01 178.77 1iug h ALA 301 N 1.28 1.20 0.08 2.92 0.00 -1.00 -1.27 119.26 122.47 1iug h ALA 301 Ca 0.11 -0.28 -0.26 0.00 0.00 0.00 0.00 54.91 54.47 1iug h ALA 301 Cb 0.54 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1iug h ALA 301 CO 0.03 0.52 -1.13 0.74 0.00 0.00 0.00 179.25 179.41 1iug h PHE 302 N 0.49 0.73 -0.70 0.00 -1.00 -1.25 -3.26 116.94 111.95 1iug h PHE 302 Ca 0.09 -0.45 -0.03 0.00 2.81 0.00 0.00 57.97 60.39 1iug h PHE 302 Cb 0.52 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 39.99 1iug h PHE 302 CO 0.02 1.30 0.34 0.00 -1.61 0.00 0.00 178.31 178.36 1iug h ALA 303 N 0.54 1.27 0.00 2.45 0.00 -1.04 0.53 119.26 123.01 1iug h ALA 303 Ca -0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1iug h ALA 303 Cb 1.80 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1iug h ALA 303 CO 0.20 0.57 -0.12 0.37 0.00 0.00 0.00 179.25 180.27 1iug h GLN 304 N 1.00 0.00 -0.01 0.00 4.15 -1.29 0.07 115.11 119.02 1iug h GLN 304 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1iug h GLN 304 Cb 0.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1iug h GLN 304 CO -0.03 0.12 -0.15 0.54 -1.93 0.00 0.00 178.83 177.38 1iug n ARG 305 N -3.67 1.32 -1.51 1.69 5.12 -0.57 -4.94 116.66 114.10 1iug n ARG 305 Ca -0.02 -0.83 0.00 0.00 -1.93 0.00 0.00 57.85 55.07 1iug n ARG 305 Cb 0.23 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.05 1iug n ARG 305 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1iug n GLY 306 N 1.28 0.79 3.31 -0.13 0.00 0.01 -4.90 105.19 105.56 1iug n GLY 306 Ca 0.15 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 1iug n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iug s ALA 307 N -2.03 2.11 -0.19 4.61 0.00 0.07 -0.48 121.76 125.85 1iug s ALA 307 Ca 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.74 1iug s ALA 307 Cb 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 1iug s ALA 307 CO 0.00 0.50 -0.03 0.08 0.00 0.00 0.00 175.76 176.31 1iug s VAL 308 N -0.75 3.69 0.44 0.00 1.01 -0.29 -3.01 120.40 121.48 1iug s VAL 308 Ca 0.10 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1iug s VAL 308 Cb -0.10 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.64 1iug s VAL 308 CO 0.01 0.45 0.07 2.30 0.00 0.00 0.00 175.10 177.94 1iug n ILE 309 N 4.18 0.00 -4.30 2.22 -5.35 -1.26 -1.22 119.36 113.63 1iug n ILE 309 Ca -0.18 -2.01 -0.18 0.00 -0.27 0.00 0.00 62.75 60.11 1iug n ILE 309 Cb 0.52 0.30 -0.10 0.00 -1.74 0.00 0.00 39.64 38.61 1iug n ILE 309 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1iug s ALA 310 N -2.73 1.80 0.00 -1.28 0.00 -1.13 -4.86 121.76 113.55 1iug s ALA 310 Ca 0.06 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.51 1iug s ALA 310 Cb -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1iug s ALA 310 CO 0.04 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.29 1iug n GLY 311 N -0.00 4.83 3.97 0.00 0.00 -1.26 -0.88 105.19 111.84 1iug n GLY 311 Ca -0.11 -2.08 -0.21 0.00 0.00 0.00 0.00 46.02 43.61 1iug n GLY 311 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iug s GLY 312 N -0.72 1.66 0.07 -0.02 0.00 -1.24 -4.57 107.32 102.49 1iug s GLY 312 Ca 0.00 -1.27 0.04 0.00 0.00 0.00 0.00 44.72 43.50 1iug s GLY 312 CO 0.00 -1.09 -0.12 1.20 0.00 0.00 0.00 173.10 173.09 1iug s GLN 313 N -4.49 0.75 7.55 2.90 -0.21 -1.26 -3.99 119.66 120.92 1iug s GLN 313 Ca 0.50 -0.94 0.00 0.00 0.02 0.00 0.00 55.36 54.94 1iug s GLN 313 Cb -0.10 -0.65 0.00 0.00 1.00 0.00 0.00 33.01 33.26 1iug s GLN 313 CO 0.36 0.13 0.00 0.41 -2.12 0.00 0.00 175.29 174.07 1iug n GLY 314 N 1.19 2.79 0.22 3.09 0.00 -1.26 -2.41 105.19 108.81 1iug n GLY 314 Ca -0.21 -0.24 0.15 0.00 0.00 0.00 0.00 46.02 45.72 1iug n GLY 314 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1iug h PRO 315 N 0.00 0.00 -0.00 1.61 0.11 -2.02 -2.74 132.00 128.96 1iug h PRO 315 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1iug h PRO 315 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1iug h PRO 315 CO 0.00 0.00 -0.50 1.28 -0.21 0.00 0.00 178.00 178.57 1iug n LEU 316 N -2.73 0.64 -4.59 2.35 4.77 -1.01 -4.82 117.00 111.61 1iug n LEU 316 Ca 0.01 -0.09 -0.47 0.00 -0.03 0.00 0.00 56.01 55.43 1iug n LEU 316 Cb 0.27 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1iug n LEU 316 CO 0.24 0.15 1.69 1.17 -1.33 0.00 0.00 177.39 179.31 1iug n LYS 317 N -1.35 1.81 -0.76 3.23 0.00 -1.04 -0.92 118.16 119.15 1iug n LYS 317 Ca 0.06 0.58 0.00 0.00 0.00 0.00 0.00 58.31 58.96 1iug n LYS 317 Cb 0.34 -2.77 0.00 0.00 0.00 0.00 0.00 35.03 32.60 1iug n LYS 317 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1iug n GLY 318 N 5.44 0.86 0.00 3.14 0.00 -1.26 -4.87 105.19 108.49 1iug n GLY 318 Ca 0.30 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.37 1iug n GLY 318 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iug n LYS 319 N -2.06 1.12 -4.28 1.61 4.76 -0.09 -4.58 118.16 114.63 1iug n LYS 319 Ca 0.00 -0.07 -0.19 0.00 -2.87 0.00 0.00 58.31 55.18 1iug n LYS 319 Cb 0.00 -1.19 -0.08 0.00 -1.84 0.00 0.00 35.03 31.92 1iug n LYS 319 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1iug s VAL 320 N -2.56 0.02 -0.09 -0.18 -7.23 -1.15 -0.80 120.40 108.42 1iug s VAL 320 Ca -0.02 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.07 1iug s VAL 320 Cb 0.07 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.54 1iug s VAL 320 CO 0.44 0.00 0.23 0.72 -0.31 0.00 0.00 175.10 176.18 1iug s PHE 321 N -3.51 -0.25 -0.01 2.82 -0.12 -0.54 -3.73 117.98 112.64 1iug s PHE 321 Ca 0.40 0.62 0.02 0.00 -0.05 0.00 0.00 56.93 57.91 1iug s PHE 321 Cb 0.03 0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 1iug s PHE 321 CO 0.26 -0.13 -0.04 1.03 -0.05 0.00 0.00 175.22 176.29 1iug s ARG 322 N 0.18 2.69 -0.05 1.99 0.52 -0.06 -2.18 118.95 122.04 1iug s ARG 322 Ca -0.00 -0.64 0.06 0.00 -0.52 0.00 0.00 55.73 54.62 1iug s ARG 322 Cb -0.02 -2.59 -0.01 0.00 0.52 0.00 0.00 34.95 32.85 1iug s ARG 322 CO -0.00 0.62 -0.22 -0.51 0.02 0.00 0.00 175.30 175.21 1iug s LEU 323 N -1.35 2.01 -0.06 2.53 1.43 -0.83 -2.82 118.68 119.59 1iug s LEU 323 Ca 0.17 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1iug s LEU 323 Cb -0.11 -1.21 0.03 0.00 0.03 0.00 0.00 46.19 44.93 1iug s LEU 323 CO 0.07 0.22 0.13 -0.55 0.23 0.00 0.00 176.35 176.46 1iug s SER 324 N -0.16 -0.10 -0.27 2.29 0.15 0.12 -0.72 113.70 115.00 1iug s SER 324 Ca -0.02 0.27 0.11 0.00 0.70 0.00 0.00 55.95 57.01 1iug s SER 324 Cb -0.12 0.17 0.53 0.00 -1.71 0.00 0.00 66.02 64.89 1iug s SER 324 CO 0.02 -0.13 1.50 0.18 1.20 0.00 0.00 173.24 176.01 1iug n LEU 325 N 4.01 4.32 0.26 3.45 4.77 -1.26 -4.27 117.00 128.28 1iug n LEU 325 Ca -0.24 -3.54 0.12 0.00 -0.03 0.00 0.00 56.01 52.31 1iug n LEU 325 Cb 0.53 -0.63 0.69 0.00 -2.33 0.00 0.00 43.42 41.68 1iug n LEU 325 CO 0.19 1.07 0.95 -0.03 -1.33 0.00 0.00 177.39 178.24 1iug h MET 326 N 1.25 0.00 0.00 3.23 4.05 -1.88 -3.43 114.93 118.14 1iug h MET 326 Ca 0.20 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.53 1iug h MET 326 Cb 1.72 0.00 0.04 0.00 -0.80 0.00 0.00 31.60 32.56 1iug h MET 326 CO 0.41 0.13 0.01 0.41 0.23 0.00 0.00 176.91 178.10 1iug n GLY 327 N -0.60 -2.83 3.26 1.39 0.00 -1.26 -4.74 105.19 100.42 1iug n GLY 327 Ca -0.02 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 1iug n GLY 327 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iug n ALA 328 N -3.45 3.66 -2.47 4.61 0.00 -0.46 -4.89 120.51 117.51 1iug n ALA 328 Ca -0.04 -3.58 -0.27 0.00 0.00 0.00 0.00 53.44 49.55 1iug n ALA 328 Cb 0.13 -3.57 -0.16 0.00 0.00 0.00 0.00 19.45 15.85 1iug n ALA 328 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1iug s TYR 329 N 5.57 1.85 0.52 0.00 1.51 -1.26 -4.92 117.35 120.61 1iug s TYR 329 Ca 0.56 -0.37 0.04 0.00 -1.01 0.00 0.00 57.07 56.29 1iug s TYR 329 Cb 0.08 -1.19 0.09 0.00 -0.11 0.00 0.00 41.96 40.83 1iug s TYR 329 CO 0.05 -0.05 0.71 -0.40 -1.11 0.00 0.00 175.55 174.76 1iug n ASP 330 N 2.62 1.43 -0.18 2.29 3.85 -1.26 -4.90 116.55 120.39 1iug n ASP 330 Ca -0.15 -2.09 -0.02 0.00 -0.71 0.00 0.00 54.79 51.81 1iug n ASP 330 Cb 0.53 -0.42 0.05 0.00 -1.35 0.00 0.00 41.12 39.93 1iug n ASP 330 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 1iug h ARG 331 N 0.00 -0.02 0.00 0.11 1.12 -1.99 -1.72 114.38 111.87 1iug h ARG 331 Ca -0.24 0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 58.49 1iug h ARG 331 Cb 0.99 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.93 1iug h ARG 331 CO 0.30 -0.01 -0.68 1.88 -3.11 0.00 0.00 179.97 178.34 1iug h TYR 332 N -0.02 0.00 -0.07 2.20 -1.99 -1.99 -2.61 116.97 112.49 1iug h TYR 332 Ca 0.27 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.85 1iug h TYR 332 Cb 0.43 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 1iug h TYR 332 CO -0.48 0.68 -0.59 0.93 -0.00 0.00 0.00 178.16 178.70 1iug h GLU 333 N 0.00 0.23 -0.74 4.88 5.08 -1.88 -2.08 114.58 120.07 1iug h GLU 333 Ca -0.01 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1iug h GLU 333 Cb 1.43 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.67 1iug h GLU 333 CO 0.09 0.75 0.26 0.00 -1.00 0.00 0.00 179.01 179.12 1iug h ALA 334 N 1.21 0.96 -0.15 3.43 0.00 -1.14 -1.32 119.26 122.25 1iug h ALA 334 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1iug h ALA 334 Cb 1.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1iug h ALA 334 CO 0.09 0.62 -0.23 -0.07 0.00 0.00 0.00 179.25 179.66 1iug h LEU 335 N 1.08 0.26 -0.58 0.00 3.38 -1.20 -1.01 115.31 117.24 1iug h LEU 335 Ca 0.24 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1iug h LEU 335 Cb 0.26 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1iug h LEU 335 CO -0.01 0.50 0.09 1.23 0.09 0.00 0.00 178.44 180.33 1iug h GLY 336 N 0.93 1.04 1.24 0.83 0.00 -0.61 -1.92 103.07 104.58 1iug h GLY 336 Ca 0.04 -0.69 -0.10 0.00 0.00 0.00 0.00 47.33 46.58 1iug h GLY 336 CO 0.04 0.64 -0.07 -2.08 0.00 0.00 0.00 176.54 175.07 1iug h VAL 337 N 0.86 1.26 -0.87 4.60 2.07 -0.78 -1.12 116.25 122.28 1iug h VAL 337 Ca 0.18 -1.17 0.03 0.00 0.82 0.00 0.00 66.70 66.56 1iug h VAL 337 Cb 0.42 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1iug h VAL 337 CO 0.01 0.41 0.56 0.00 0.02 0.00 0.00 177.57 178.57 1iug h ALA 338 N 1.10 1.15 -0.27 1.67 0.00 -0.89 0.24 119.26 122.26 1iug h ALA 338 Ca 0.14 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1iug h ALA 338 Cb 0.58 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1iug h ALA 338 CO 0.04 0.40 -0.28 0.78 0.00 0.00 0.00 179.25 180.19 1iug h GLY 339 N 1.08 0.57 1.03 0.00 0.00 -0.86 -0.98 103.07 103.92 1iug h GLY 339 Ca 0.35 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 1iug h GLY 339 CO -0.12 0.45 -0.11 1.98 0.00 0.00 0.00 176.54 178.74 1iug h MET 340 N 0.46 0.88 -0.69 4.80 -1.53 0.01 -2.70 114.93 116.15 1iug h MET 340 Ca 0.06 -0.33 -0.03 0.00 -3.44 0.00 0.00 59.70 55.96 1iug h MET 340 Cb 0.72 -0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 31.69 1iug h MET 340 CO 0.06 0.97 0.31 0.35 0.14 0.00 0.00 176.91 178.74 1iug h PHE 341 N 0.72 1.02 -0.27 1.39 3.57 -0.29 -2.26 116.94 120.81 1iug h PHE 341 Ca 0.12 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.60 1iug h PHE 341 Cb 0.65 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 1iug h PHE 341 CO 0.05 0.77 -0.01 0.00 -2.23 0.00 0.00 178.31 176.89 1iug h ARG 342 N 0.97 0.06 -0.54 1.11 2.47 -1.03 -2.14 114.38 115.29 1iug h ARG 342 Ca 0.23 -0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.98 1iug h ARG 342 Cb 0.16 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.42 1iug h ARG 342 CO -0.03 0.04 0.31 0.93 0.56 0.00 0.00 179.97 181.78 1iug h GLU 343 N 0.06 0.58 -0.93 0.04 5.08 -1.20 0.65 114.58 118.86 1iug h GLU 343 Ca 0.13 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1iug h GLU 343 Cb 0.18 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1iug h GLU 343 CO -0.23 0.39 0.62 0.28 -1.00 0.00 0.00 179.01 179.06 1iug h VAL 344 N 0.60 1.23 -0.23 3.13 2.07 -1.04 -0.75 116.25 121.26 1iug h VAL 344 Ca 0.23 -0.43 -0.16 0.00 0.82 0.00 0.00 66.70 67.16 1iug h VAL 344 Cb 0.07 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.71 1iug h VAL 344 CO -0.12 0.23 -0.48 -0.07 0.02 0.00 0.00 177.57 177.15 1iug h LEU 345 N 1.26 0.81 -2.02 2.57 4.07 -0.97 0.90 115.31 121.92 1iug h LEU 345 Ca 0.34 -0.55 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 1iug h LEU 345 Cb -0.14 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.37 1iug h LEU 345 CO -0.08 1.21 -0.05 -0.08 -1.08 0.00 0.00 178.44 178.37 1iug h GLU 346 N 0.45 0.00 0.02 1.13 4.81 -0.57 0.13 114.58 120.54 1iug h GLU 346 Ca 0.00 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.88 1iug h GLU 346 Cb 1.09 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.41 1iug h GLU 346 CO 0.11 0.05 -2.20 -1.91 -0.73 0.00 0.00 179.01 174.32 1iug n GLU 347 N -3.29 0.68 0.09 1.92 2.13 -0.32 -4.44 120.64 117.42 1iug n GLU 347 Ca -0.01 0.15 0.02 0.00 0.66 0.00 0.00 57.16 57.97 1iug n GLU 347 Cb 0.22 -1.61 -0.02 0.00 0.27 0.00 0.00 31.44 30.30 1iug n GLU 347 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 1iug h ILE 348 N 0.01 0.70 -0.01 6.31 2.10 -0.58 -3.51 117.51 122.53 1iug h ILE 348 Ca -0.48 -2.10 0.00 0.00 1.08 0.00 0.00 64.86 63.36 1iug h ILE 348 Cb 2.07 2.24 0.00 0.00 -1.09 0.00 0.00 36.82 40.04 1iug h ILE 348 CO 0.02 0.40 0.00 0.18 -1.08 0.00 0.00 178.15 177.66