#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 3.42 -0.40 1.24 0.52 -0.63 -5.01 118.94 118.08 1iug s TRP 3 Ca 0.00 -1.60 -0.26 0.00 0.02 0.00 0.00 56.10 54.26 1iug s TRP 3 Cb 0.00 -3.97 0.02 0.00 -1.15 0.00 0.00 33.47 28.37 1iug s TRP 3 CO 0.00 -1.17 0.97 -1.17 0.02 0.00 0.00 176.95 175.59 1iug s LEU 4 N 1.38 3.95 -0.20 2.99 2.96 -1.26 -1.04 118.68 127.45 1iug s LEU 4 Ca 0.19 0.50 0.14 0.00 -0.22 0.00 0.00 54.13 54.74 1iug s LEU 4 Cb -0.13 -3.31 0.42 0.00 0.50 0.00 0.00 46.19 43.67 1iug s LEU 4 CO -0.05 -0.95 1.29 0.18 -1.32 0.00 0.00 176.35 175.49 1iug n LEU 5 N 7.01 3.11 -4.87 -0.68 4.77 -0.24 -4.57 117.00 121.51 1iug n LEU 5 Ca 0.08 -3.49 -0.33 0.00 -0.03 0.00 0.00 56.01 52.24 1iug n LEU 5 Cb 0.48 -0.53 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 1iug n LEU 5 CO 0.61 1.05 0.13 0.42 -1.33 0.00 0.00 177.39 178.27 1iug s THR 6 N -3.07 5.03 0.00 -5.08 -4.23 -1.22 -0.61 115.64 106.45 1iug s THR 6 Ca 0.38 0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 61.25 1iug s THR 6 Cb 0.35 -3.64 -0.19 0.00 1.34 0.00 0.00 72.50 70.36 1iug s THR 6 CO 0.00 0.10 2.95 -0.81 -0.54 0.00 0.00 174.62 176.32 1iug n PRO 7 N 0.34 1.58 0.00 3.99 -0.04 -1.26 -4.57 135.00 135.03 1iug n PRO 7 Ca -0.03 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 1iug n PRO 7 Cb 0.52 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 2.34 2.78 3.62 0.55 0.00 -1.26 -4.96 105.19 108.25 1iug n GLY 8 Ca 0.30 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 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 -4.25 0.27 0.42 1.61 0.02 -1.26 -5.16 135.00 126.64 1iug s PRO 9 Ca 0.00 0.84 0.04 0.00 0.02 0.00 0.00 61.00 61.90 1iug s PRO 9 Cb 0.00 -1.69 -0.04 0.00 0.02 0.00 0.00 34.50 32.79 1iug s PRO 9 CO 0.00 -2.92 0.05 0.14 -0.33 0.00 0.00 177.00 173.94 1iug s VAL 10 N -2.74 1.18 0.03 3.83 -7.23 -1.19 -4.55 120.40 109.73 1iug s VAL 10 Ca 0.66 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.53 1iug s VAL 10 Cb -0.21 -2.54 -0.08 0.00 0.56 0.00 0.00 36.38 34.12 1iug s VAL 10 CO 0.60 0.00 1.70 -0.60 -0.31 0.00 0.00 175.10 176.49 1iug s ARG 11 N -3.80 4.18 0.32 4.82 3.00 -1.26 -4.92 118.95 121.29 1iug s ARG 11 Ca 0.24 2.34 -0.28 0.00 -1.00 0.00 0.00 55.73 57.03 1iug s ARG 11 Cb 0.05 -3.78 -0.09 0.00 0.00 0.00 0.00 34.95 31.13 1iug s ARG 11 CO 0.12 -0.80 1.14 -0.51 0.00 0.00 0.00 175.30 175.25 1iug s LEU 12 N 3.27 4.42 0.27 -0.88 1.43 -1.26 -1.57 118.68 124.36 1iug s LEU 12 Ca 0.76 2.32 -0.29 0.00 -1.03 0.00 0.00 54.13 55.88 1iug s LEU 12 Cb -0.39 -3.77 -0.09 0.00 0.03 0.00 0.00 46.19 41.97 1iug s LEU 12 CO 0.33 -0.34 1.16 -2.28 0.23 0.00 0.00 176.35 175.45 1iug s HIS 13 N -1.26 3.44 0.36 0.29 5.65 -1.05 -4.68 115.29 118.04 1iug s HIS 13 Ca 0.49 1.59 0.13 0.00 0.25 0.00 0.00 55.06 57.52 1iug s HIS 13 Cb -0.32 -3.39 0.94 0.00 -1.18 0.00 0.00 32.58 28.63 1iug s HIS 13 CO 0.41 -0.94 1.78 -1.35 -0.65 0.00 0.00 174.74 173.99 1iug h PRO 14 N 4.00 0.54 0.00 2.88 0.11 -1.95 -0.11 132.00 137.47 1iug h PRO 14 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1iug h PRO 14 Cb 1.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1iug h PRO 14 CO 0.68 0.35 -0.19 0.87 -0.21 0.00 0.00 178.00 179.50 1iug h LYS 15 N 0.55 0.00 -0.31 1.05 1.79 -1.95 -2.79 116.57 114.91 1iug h LYS 15 Ca 0.58 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.92 1iug h LYS 15 Cb 1.20 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1iug h LYS 15 CO -0.33 0.19 -0.30 0.00 -1.08 0.00 0.00 179.45 177.93 1iug h ALA 16 N 1.81 0.45 -0.22 3.86 0.00 -1.29 -2.48 119.26 121.39 1iug h ALA 16 Ca -0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1iug h ALA 16 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1iug h ALA 16 CO 0.02 0.48 -0.17 -0.07 0.00 0.00 0.00 179.25 179.51 1iug h LEU 17 N 0.51 0.37 -0.23 0.00 3.38 -1.45 -1.84 115.31 116.06 1iug h LEU 17 Ca 0.05 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1iug h LEU 17 Cb 0.87 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1iug h LEU 17 CO 0.08 0.57 -0.02 -0.33 0.09 0.00 0.00 178.44 178.82 1iug h GLU 18 N 0.35 0.42 -1.00 1.13 5.08 -1.43 -2.88 114.58 116.25 1iug h GLU 18 Ca 0.06 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1iug h GLU 18 Cb 0.51 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1iug h GLU 18 CO 0.03 0.63 0.66 0.00 -1.00 0.00 0.00 179.01 179.33 1iug h ALA 19 N 0.78 1.27 0.00 3.43 0.00 -1.16 -2.13 119.26 121.45 1iug h ALA 19 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1iug h ALA 19 Cb 0.45 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1iug h ALA 19 CO 0.02 0.64 0.00 -0.07 0.00 0.00 0.00 179.25 179.84 1iug h LEU 20 N 1.34 0.00 0.00 0.00 3.38 -1.27 -2.71 115.31 116.05 1iug h LEU 20 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1iug h LEU 20 Cb -0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1iug h LEU 20 CO -0.08 0.00 -0.28 0.00 0.09 0.00 0.00 178.44 178.17 1iug n ALA 21 N -2.02 2.72 -1.77 1.53 0.00 -0.81 -4.90 120.51 115.28 1iug n ALA 21 Ca 0.01 -0.17 -0.38 0.00 0.00 0.00 0.00 53.44 52.90 1iug n ALA 21 Cb 0.29 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -3.08 3.66 0.69 0.00 1.81 -1.02 -4.98 118.95 116.02 1iug s ARG 22 Ca 0.10 1.92 -0.17 0.00 -1.72 0.00 0.00 55.73 55.87 1iug s ARG 22 Cb 0.15 -2.43 0.01 0.00 -0.45 0.00 0.00 34.95 32.24 1iug s ARG 22 CO 0.64 -0.67 1.24 -2.14 -0.68 0.00 0.00 175.30 173.68 1iug s PRO 23 N -2.67 2.37 0.22 3.54 0.02 -1.26 -4.91 135.00 132.31 1iug s PRO 23 Ca 0.64 1.89 -0.32 0.00 0.02 0.00 0.00 61.00 63.23 1iug s PRO 23 Cb -0.32 -1.85 -0.12 0.00 0.02 0.00 0.00 34.50 32.23 1iug s PRO 23 CO 0.39 -1.69 1.69 0.94 -0.33 0.00 0.00 177.00 178.00 1iug n GLN 24 N -2.29 2.70 -4.20 5.54 -0.06 -1.26 -5.01 117.38 112.79 1iug n GLN 24 Ca 0.14 0.97 -0.33 0.00 -2.00 0.00 0.00 57.00 55.79 1iug n GLN 24 Cb 0.49 -2.80 -0.08 0.00 -4.06 0.00 0.00 30.24 23.79 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 0.85 3.66 -0.01 1.69 1.43 -1.26 -5.09 118.68 119.94 1iug s LEU 25 Ca 0.73 0.04 -0.26 0.00 -1.03 0.00 0.00 54.13 53.61 1iug s LEU 25 Cb -0.52 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 1iug s LEU 25 CO 0.36 0.27 0.83 -2.28 0.23 0.00 0.00 176.35 175.76 1iug s HIS 26 N -1.14 3.65 -0.63 0.29 5.65 -1.26 -4.94 115.29 116.90 1iug s HIS 26 Ca 0.21 1.48 0.14 0.00 0.25 0.00 0.00 55.06 57.14 1iug s HIS 26 Cb -0.12 -2.94 0.67 0.00 -1.18 0.00 0.00 32.58 29.01 1iug s HIS 26 CO 0.12 0.09 1.42 -2.39 -0.65 0.00 0.00 174.74 173.33 1iug n HIS 27 N 3.60 0.39 0.92 3.88 1.44 -1.26 -2.27 115.22 121.93 1iug n HIS 27 Ca 0.01 0.19 0.11 0.00 -2.01 0.00 0.00 57.72 56.02 1iug n HIS 27 Cb 0.51 -0.80 0.05 0.00 0.12 0.00 0.00 29.99 29.87 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 -1.89 1.75 -2.13 -1.40 5.12 -1.26 -4.43 116.66 112.41 1iug n ARG 28 Ca 0.00 -1.43 -0.33 0.00 -1.93 0.00 0.00 57.85 54.17 1iug n ARG 28 Cb 0.07 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 1iug n ARG 28 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1iug s THR 29 N -2.06 3.92 0.51 0.55 -1.32 -0.96 -4.89 115.64 111.39 1iug s THR 29 Ca 0.22 0.93 0.16 0.00 -1.21 0.00 0.00 61.69 61.79 1iug s THR 29 Cb 0.18 -3.44 0.28 0.00 -1.51 0.00 0.00 72.50 68.01 1iug s THR 29 CO 0.39 -0.52 2.13 -0.08 -2.21 0.00 0.00 174.62 174.33 1iug h GLU 30 N 0.59 0.05 -0.60 7.08 4.57 -1.93 -1.92 114.58 122.41 1iug h GLU 30 Ca -0.47 -0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 57.63 1iug h GLU 30 Cb 1.21 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 1iug h GLU 30 CO 0.58 0.03 0.09 0.00 -1.18 0.00 0.00 179.01 178.53 1iug h ALA 31 N 1.95 0.80 -0.33 2.92 0.00 -1.92 -2.44 119.26 120.25 1iug h ALA 31 Ca 0.04 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1iug h ALA 31 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1iug h ALA 31 CO -0.00 0.57 -0.16 0.00 0.00 0.00 0.00 179.25 179.65 1iug h ALA 32 N 1.01 0.46 -0.05 0.00 0.00 -1.60 -2.54 119.26 116.53 1iug h ALA 32 Ca 0.18 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1iug h ALA 32 Cb 0.44 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1iug h ALA 32 CO 0.01 0.37 -0.22 0.00 0.00 0.00 0.00 179.25 179.41 1iug h ARG 33 N 0.45 -0.31 -0.92 0.00 2.47 -1.32 0.30 114.38 115.05 1iug h ARG 33 Ca 0.07 0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.82 1iug h ARG 33 Cb 0.69 0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 29.04 1iug h ARG 33 CO 0.05 -0.21 0.61 0.93 0.56 0.00 0.00 179.97 181.91 1iug h GLU 34 N -0.33 1.21 -0.47 0.04 5.08 -1.44 0.19 114.58 118.87 1iug h GLU 34 Ca 0.08 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1iug h GLU 34 Cb 0.43 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1iug h GLU 34 CO -0.24 0.80 0.03 0.28 -1.00 0.00 0.00 179.01 178.88 1iug h VAL 35 N 1.25 1.26 -0.06 3.13 2.07 -1.07 0.21 116.25 123.03 1iug h VAL 35 Ca 0.34 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1iug h VAL 35 Cb -0.14 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1iug h VAL 35 CO -0.08 0.35 0.03 0.15 0.02 0.00 0.00 177.57 178.04 1iug h PHE 36 N 0.66 0.08 -0.55 1.57 3.57 -0.42 0.58 116.94 122.42 1iug h PHE 36 Ca 0.14 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1iug h PHE 36 Cb 0.46 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1iug h PHE 36 CO 0.03 0.14 0.27 -0.07 -2.23 0.00 0.00 178.31 176.46 1iug h LEU 37 N -0.00 0.69 -0.09 0.59 3.38 -0.51 -0.34 115.31 119.04 1iug h LEU 37 Ca 0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1iug h LEU 37 Cb 0.09 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1iug h LEU 37 CO -0.00 0.59 0.05 0.50 0.09 0.00 0.00 178.44 179.66 1iug h LYS 38 N 0.78 0.13 -0.59 1.13 3.11 0.01 -1.41 116.57 119.71 1iug h LYS 38 Ca 0.19 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 58.01 1iug h LYS 38 Cb 0.07 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.25 1iug h LYS 38 CO -0.03 0.18 0.33 0.00 -2.81 0.00 0.00 179.45 177.12 1iug h ALA 39 N 0.94 0.76 -0.21 5.00 0.00 -0.35 -1.29 119.26 124.12 1iug h ALA 39 Ca 0.03 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1iug h ALA 39 Cb 0.09 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 1iug h ALA 39 CO -0.00 0.27 -0.28 0.00 0.00 0.00 0.00 179.25 179.23 1iug h ARG 40 N 0.80 -0.30 -0.89 0.00 2.47 -0.83 -0.70 114.38 114.92 1iug h ARG 40 Ca 0.21 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.94 1iug h ARG 40 Cb 0.03 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.38 1iug h ARG 40 CO -0.03 -0.20 0.51 0.78 0.56 0.00 0.00 179.97 181.58 1iug h GLY 41 N -0.31 1.31 1.15 0.04 0.00 -0.92 -1.85 103.07 102.49 1iug h GLY 41 Ca 0.12 -0.57 -0.16 0.00 0.00 0.00 0.00 47.33 46.72 1iug h GLY 41 CO -0.38 0.55 -0.39 1.41 0.00 0.00 0.00 176.54 177.73 1iug h LEU 42 N 1.24 0.99 -1.40 3.11 3.38 -0.75 -2.59 115.31 119.30 1iug h LEU 42 Ca 0.32 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1iug h LEU 42 Cb -0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1iug h LEU 42 CO -0.05 1.26 -0.29 -0.07 0.09 0.00 0.00 178.44 179.37 1iug h LEU 43 N 0.76 0.00 -0.19 1.67 3.38 -0.99 -0.14 115.31 119.79 1iug h LEU 43 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1iug h LEU 43 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1iug h LEU 43 CO 0.10 0.29 0.10 -0.09 0.09 0.00 0.00 178.44 178.93 1iug h ARG 44 N 0.00 0.27 -0.32 1.13 1.12 -1.10 -0.03 114.38 115.45 1iug h ARG 44 Ca -0.00 -0.03 -0.11 0.00 -1.11 0.00 0.00 59.98 58.73 1iug h ARG 44 Cb 0.57 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.47 1iug h ARG 44 CO 0.04 0.26 -0.22 0.93 -3.11 0.00 0.00 179.97 177.87 1iug h GLU 45 N 0.20 0.72 -0.99 0.20 5.08 -1.03 -2.48 114.58 116.29 1iug h GLU 45 Ca 0.07 -0.34 0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1iug h GLU 45 Cb 0.07 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 1iug h GLU 45 CO -0.01 0.95 0.65 0.00 -1.00 0.00 0.00 179.01 179.60 1iug h ALA 46 N 0.75 1.36 0.00 3.43 0.00 -0.81 -2.32 119.26 121.67 1iug h ALA 46 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1iug h ALA 46 Cb 0.77 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1iug h ALA 46 CO 0.06 0.54 -0.13 1.19 0.00 0.00 0.00 179.25 180.91 1iug n PHE 47 N -4.44 0.88 -3.02 0.00 3.01 -0.04 -4.86 117.46 108.98 1iug n PHE 47 Ca 0.13 0.26 -0.10 0.00 1.01 0.00 0.00 57.45 58.75 1iug n PHE 47 Cb 0.10 -0.89 0.05 0.00 -0.01 0.00 0.00 39.48 38.72 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 -2.25 -1.78 -3.98 -1.08 5.12 -0.87 -2.86 116.66 108.95 1iug n ARG 48 Ca 0.05 0.95 -0.09 0.00 -1.93 0.00 0.00 57.85 56.83 1iug n ARG 48 Cb 0.43 -5.37 -0.10 0.00 -1.16 0.00 0.00 32.46 26.27 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 -3.25 0.15 -2.40 0.55 -1.32 -1.16 -2.67 115.64 105.55 1iug s THR 49 Ca 0.30 -1.23 0.25 0.00 -1.21 0.00 0.00 61.69 59.80 1iug s THR 49 Cb -0.04 -0.91 0.20 0.00 -1.51 0.00 0.00 72.50 70.24 1iug s THR 49 CO 0.67 -0.68 1.34 1.21 -2.21 0.00 0.00 174.62 174.95 1iug n GLU 50 N 0.78 1.60 0.00 7.08 4.07 -1.26 -4.79 120.64 128.12 1iug n GLU 50 Ca -0.19 -1.22 0.00 0.00 -0.06 0.00 0.00 57.16 55.69 1iug n GLU 50 Cb 0.58 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.49 1iug n GLU 50 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1iug n GLY 51 N 1.34 1.13 3.29 8.31 0.00 -1.26 -4.78 105.19 113.23 1iug n GLY 51 Ca 0.13 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.36 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 0.98 1.25 -0.15 1.61 0.41 -0.18 -4.97 118.70 117.65 1iug s GLU 52 Ca 0.00 -1.13 0.01 0.00 -0.41 0.00 0.00 54.97 53.44 1iug s GLU 52 Cb 0.00 -1.50 0.00 0.00 -1.78 0.00 0.00 34.13 30.85 1iug s GLU 52 CO 0.00 0.36 -0.18 0.08 -0.49 0.00 0.00 175.26 175.03 1iug s VAL 53 N -1.04 2.42 -0.15 2.63 1.01 -1.26 -0.31 120.40 123.70 1iug s VAL 53 Ca 0.08 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 1iug s VAL 53 Cb -0.10 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1iug s VAL 53 CO 0.04 0.53 0.09 -0.76 0.00 0.00 0.00 175.10 175.00 1iug s LEU 54 N 0.80 4.04 -0.28 3.92 1.43 0.65 -4.89 118.68 124.34 1iug s LEU 54 Ca -0.06 0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 53.16 1iug s LEU 54 Cb -0.15 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1iug s LEU 54 CO -0.01 0.29 0.28 -0.63 0.23 0.00 0.00 176.35 176.52 1iug s ILE 55 N -0.35 5.24 -0.03 -0.59 1.01 -1.26 -1.71 121.20 123.51 1iug s ILE 55 Ca 0.10 0.29 0.04 0.00 0.00 0.00 0.00 60.65 61.09 1iug s ILE 55 Cb -0.12 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1iug s ILE 55 CO 0.01 0.17 -0.14 -0.76 0.00 0.00 0.00 174.94 174.22 1iug s LEU 56 N 1.90 2.76 -0.56 2.97 1.43 0.34 -4.99 118.68 122.53 1iug s LEU 56 Ca 0.11 -0.23 -0.22 0.00 -1.03 0.00 0.00 54.13 52.75 1iug s LEU 56 Cb -0.16 -1.58 0.05 0.00 0.03 0.00 0.00 46.19 44.54 1iug s LEU 56 CO 0.11 0.32 0.85 -0.89 0.23 0.00 0.00 176.35 176.97 1iug s THR 57 N -0.80 4.53 -4.54 5.49 2.01 -1.26 -0.78 115.64 120.29 1iug s THR 57 Ca 0.13 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1iug s THR 57 Cb -0.11 -4.50 0.00 0.00 0.01 0.00 0.00 72.50 67.90 1iug s THR 57 CO 0.02 -1.10 0.00 0.61 -0.69 0.00 0.00 174.62 173.46 1iug n GLY 58 N 5.18 -2.49 3.93 4.40 0.00 -0.23 -4.94 105.19 111.04 1iug n GLY 58 Ca -0.02 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.85 3.34 0.34 1.61 1.04 -1.26 -2.09 113.70 115.83 1iug s SER 59 Ca 0.00 0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.77 1iug s SER 59 Cb 0.00 -0.42 0.63 0.00 0.10 0.00 0.00 66.02 66.33 1iug s SER 59 CO 0.00 -2.59 1.95 1.23 0.98 0.00 0.00 173.24 174.81 1iug h GLY 60 N -1.52 1.08 0.86 7.32 0.00 -1.84 -2.12 103.07 106.83 1iug h GLY 60 Ca -0.44 -0.35 0.07 0.00 0.00 0.00 0.00 47.33 46.61 1iug h GLY 60 CO 0.42 0.28 0.56 -0.84 0.00 0.00 0.00 176.54 176.96 1iug h THR 61 N 0.89 1.03 -0.82 4.70 2.02 -1.93 -1.29 112.91 117.50 1iug h THR 61 Ca 0.33 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1iug h THR 61 Cb 0.16 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.55 1iug h THR 61 CO -0.11 0.17 0.52 0.25 0.37 0.00 0.00 175.52 176.73 1iug h LEU 62 N 0.93 0.96 -1.02 2.58 5.85 -1.74 -1.39 115.31 121.48 1iug h LEU 62 Ca 0.38 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.99 1iug h LEU 62 Cb 0.27 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1iug h LEU 62 CO -0.15 0.72 -0.04 0.00 -0.34 0.00 0.00 178.44 178.63 1iug h ALA 63 N 1.29 1.19 -0.39 1.25 0.00 -1.26 -1.31 119.26 120.03 1iug h ALA 63 Ca 0.30 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1iug h ALA 63 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1iug h ALA 63 CO -0.06 0.53 0.03 0.52 0.00 0.00 0.00 179.25 180.26 1iug h MET 64 N 0.61 0.67 -0.58 0.00 2.86 -0.77 -1.86 114.93 115.87 1iug h MET 64 Ca 0.12 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1iug h MET 64 Cb 0.45 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1iug h MET 64 CO 0.02 0.75 0.08 1.49 1.06 0.00 0.00 176.91 180.31 1iug h GLU 65 N 0.50 0.97 -0.49 1.72 4.81 -1.08 -2.47 114.58 118.55 1iug h GLU 65 Ca 0.11 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 59.00 1iug h GLU 65 Cb 0.43 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1iug h GLU 65 CO 0.01 0.93 0.00 0.00 -0.73 0.00 0.00 179.01 179.23 1iug h ALA 66 N 1.00 1.09 0.09 2.92 0.00 -1.16 -0.86 119.26 122.35 1iug h ALA 66 Ca 0.17 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1iug h ALA 66 Cb 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1iug h ALA 66 CO 0.01 0.58 -0.04 1.25 0.00 0.00 0.00 179.25 181.05 1iug h LEU 67 N 0.75 -0.11 -0.09 0.00 6.46 -1.17 -1.96 115.31 119.19 1iug h LEU 67 Ca 0.15 -0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1iug h LEU 67 Cb 0.45 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1iug h LEU 67 CO 0.02 0.05 0.04 0.58 -0.62 0.00 0.00 178.44 178.52 1iug h VAL 68 N -0.26 1.12 -0.83 1.05 2.07 -1.31 -2.86 116.25 115.23 1iug h VAL 68 Ca -0.01 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1iug h VAL 68 Cb 0.22 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1iug h VAL 68 CO 0.02 0.10 0.51 0.11 0.02 0.00 0.00 177.57 178.34 1iug h LYS 69 N 0.02 1.11 -0.01 1.57 1.79 -1.19 -2.27 116.57 117.60 1iug h LYS 69 Ca 0.03 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1iug h LYS 69 Cb 0.13 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 1iug h LYS 69 CO -0.00 0.77 -0.08 0.09 -1.08 0.00 0.00 179.45 179.15 1iug n ASN 70 N -4.46 0.76 -0.00 0.86 3.02 -0.74 -4.07 115.26 110.63 1iug n ASN 70 Ca 0.08 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1iug n ASN 70 Cb 0.05 -0.01 -0.00 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 -0.61 0.01 -3.99 3.41 4.77 -1.08 0.02 117.00 119.53 1iug n LEU 71 Ca 0.17 -0.26 -0.23 0.00 -0.03 0.00 0.00 56.01 55.66 1iug n LEU 71 Cb 0.28 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.21 1iug n LEU 71 CO 0.21 0.00 -0.45 -0.36 -1.33 0.00 0.00 177.39 175.46 1iug s PHE 72 N -1.52 1.23 0.34 -1.77 0.40 -0.86 -4.80 117.98 111.00 1iug s PHE 72 Ca 0.00 -0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 55.89 1iug s PHE 72 Cb 0.00 -0.92 -0.04 0.00 0.51 0.00 0.00 43.02 42.57 1iug s PHE 72 CO 0.02 -0.23 0.59 0.00 0.70 0.00 0.00 175.22 176.30 1iug s ALA 73 N 0.64 3.61 0.28 5.36 0.00 -1.26 -4.64 121.76 125.74 1iug s ALA 73 Ca -0.12 -0.68 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 1iug s ALA 73 Cb -0.14 -2.28 -0.13 0.00 0.00 0.00 0.00 23.12 20.57 1iug s ALA 73 CO 0.02 0.05 1.38 -2.30 0.00 0.00 0.00 175.76 174.91 1iug n PRO 74 N -1.47 2.10 0.00 0.00 -0.02 -1.26 -2.44 135.00 131.90 1iug n PRO 74 Ca -0.02 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1iug n PRO 74 Cb 0.55 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 1.72 2.29 3.77 -1.23 0.00 0.38 -5.00 105.19 107.12 1iug n GLY 75 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.81 3.76 -0.22 1.61 2.02 -1.02 -4.50 118.70 119.53 1iug s GLU 76 Ca 0.00 1.73 -0.28 0.00 0.02 0.00 0.00 54.97 56.45 1iug s GLU 76 Cb 0.00 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.86 1iug s GLU 76 CO 0.00 -0.54 0.97 1.03 0.02 0.00 0.00 175.26 176.74 1iug s ARG 77 N -2.74 4.25 0.00 1.61 1.81 -1.26 -1.75 118.95 120.87 1iug s ARG 77 Ca 0.64 1.23 0.03 0.00 -1.72 0.00 0.00 55.73 55.91 1iug s ARG 77 Cb -0.27 -3.63 -0.01 0.00 -0.45 0.00 0.00 34.95 30.58 1iug s ARG 77 CO 0.33 -0.57 -0.09 0.14 -0.68 0.00 0.00 175.30 174.44 1iug s VAL 78 N 2.98 0.70 -0.24 3.52 -7.23 -0.60 -0.04 120.40 119.48 1iug s VAL 78 Ca 0.41 -0.51 -0.09 0.00 -1.81 0.00 0.00 61.98 59.98 1iug s VAL 78 Cb -0.15 -0.61 -0.04 0.00 0.56 0.00 0.00 36.38 36.13 1iug s VAL 78 CO 0.07 0.10 0.13 -0.22 -0.31 0.00 0.00 175.10 174.87 1iug s LEU 79 N -0.46 3.89 -0.29 1.32 2.96 -0.06 -1.87 118.68 124.16 1iug s LEU 79 Ca 0.02 0.00 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 1iug s LEU 79 Cb -0.04 -2.04 0.09 0.00 0.50 0.00 0.00 46.19 44.69 1iug s LEU 79 CO -0.00 0.03 0.05 -0.69 -1.32 0.00 0.00 176.35 174.42 1iug s VAL 80 N 1.23 1.26 0.26 1.68 1.01 -0.33 -2.01 120.40 123.51 1iug s VAL 80 Ca 0.06 -1.47 -0.30 0.00 0.00 0.00 0.00 61.98 60.28 1iug s VAL 80 Cb -0.14 -1.84 -0.09 0.00 0.00 0.00 0.00 36.38 34.31 1iug s VAL 80 CO 0.05 -0.49 1.10 -2.84 0.00 0.00 0.00 175.10 172.91 1iug s PRO 81 N 1.45 4.64 -0.16 2.72 0.02 -1.26 -2.94 135.00 139.47 1iug s PRO 81 Ca 0.06 1.78 0.01 0.00 0.02 0.00 0.00 61.00 62.87 1iug s PRO 81 Cb -0.18 -3.21 0.02 0.00 0.02 0.00 0.00 34.50 31.15 1iug s PRO 81 CO -0.16 0.19 -0.19 0.08 -0.33 0.00 0.00 177.00 176.59 1iug s VAL 82 N -0.96 1.96 0.00 3.83 1.01 0.01 -4.73 120.40 121.52 1iug s VAL 82 Ca 0.45 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1iug s VAL 82 Cb -0.31 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.34 1iug s VAL 82 CO 0.39 0.52 0.89 0.00 0.00 0.00 0.00 175.10 176.91 1iug n TYR 83 N 4.49 0.00 0.00 5.22 0.18 -1.26 -0.65 117.16 125.13 1iug n TYR 83 Ca -0.20 -0.06 0.00 0.00 1.88 0.00 0.00 57.90 59.52 1iug n TYR 83 Cb 0.50 0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.50 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 0.04 -1.03 0.11 -7.48 0.00 -1.26 -3.92 105.19 91.65 1iug n GLY 84 Ca -0.00 -1.05 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 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 0.08 -0.00 1.61 3.64 -1.93 -0.17 116.57 119.80 1iug h LYS 85 Ca 0.00 -0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 1iug h LYS 85 Cb 0.00 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1iug h LYS 85 CO 0.00 0.05 -0.84 0.74 -2.27 0.00 0.00 179.45 177.13 1iug h PHE 86 N 0.08 0.21 -0.18 1.91 -1.00 -1.96 0.12 116.94 116.11 1iug h PHE 86 Ca 0.11 -0.11 -0.19 0.00 2.81 0.00 0.00 57.97 60.58 1iug h PHE 86 Cb 0.13 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.67 1iug h PHE 86 CO -0.18 0.91 -0.65 0.66 -1.61 0.00 0.00 178.31 177.44 1iug h SER 87 N 0.08 0.78 -0.05 2.17 4.64 -1.87 -0.77 113.55 118.53 1iug h SER 87 Ca -0.03 -0.46 0.04 0.00 -0.47 0.00 0.00 61.79 60.86 1iug h SER 87 Cb 1.46 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 63.26 1iug h SER 87 CO 0.12 1.23 -0.39 -0.08 -0.87 0.00 0.00 176.83 176.84 1iug h GLU 88 N 0.49 -0.50 -0.91 4.77 4.57 -0.91 -1.78 114.58 120.31 1iug h GLU 88 Ca -0.02 0.03 0.25 0.00 -1.18 0.00 0.00 59.36 58.45 1iug h GLU 88 Cb 1.24 0.11 -0.16 0.00 -0.16 0.00 0.00 28.75 29.79 1iug h GLU 88 CO 0.13 -0.33 0.11 -0.09 -1.18 0.00 0.00 179.01 177.64 1iug h ARG 89 N -0.52 0.08 -0.68 1.92 1.12 0.09 0.87 114.38 117.27 1iug h ARG 89 Ca 0.06 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.90 1iug h ARG 89 Cb 0.62 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.53 1iug h ARG 89 CO -0.33 0.05 0.33 0.35 -3.11 0.00 0.00 179.97 177.26 1iug h PHE 90 N 0.08 0.95 -0.15 2.20 -0.00 -0.32 -2.78 116.94 116.92 1iug h PHE 90 Ca 0.56 -0.03 0.02 0.00 -0.00 0.00 0.00 57.97 58.52 1iug h PHE 90 Cb 1.15 -0.30 -0.02 0.00 -0.00 0.00 0.00 35.95 36.78 1iug h PHE 90 CO -0.40 0.69 0.02 -0.92 -0.00 0.00 0.00 178.31 177.70 1iug h TYR 91 N 0.95 0.04 -0.80 0.41 3.20 -0.30 -1.11 116.97 119.35 1iug h TYR 91 Ca 0.24 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 1iug h TYR 91 Cb 0.09 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 1iug h TYR 91 CO 0.01 0.01 0.39 0.93 -1.64 0.00 0.00 178.16 177.86 1iug h GLU 92 N 0.08 1.15 -0.81 1.82 5.08 -1.41 -1.46 114.58 119.03 1iug h GLU 92 Ca 0.07 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1iug h GLU 92 Cb 0.06 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 1iug h GLU 92 CO -0.09 0.89 0.42 0.82 -1.00 0.00 0.00 179.01 180.04 1iug h ILE 93 N 1.13 1.25 -0.70 3.13 2.04 -1.25 -1.47 117.51 121.65 1iug h ILE 93 Ca 0.28 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 1iug h ILE 93 Cb 0.11 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1iug h ILE 93 CO -0.04 0.29 0.19 0.00 0.00 0.00 0.00 178.15 178.59 1iug h ALA 94 N 1.22 0.92 0.28 1.87 0.00 -0.71 -1.13 119.26 121.71 1iug h ALA 94 Ca 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1iug h ALA 94 Cb 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1iug h ALA 94 CO -0.04 0.63 -0.14 -0.07 0.00 0.00 0.00 179.25 179.63 1iug h LEU 95 N 1.05 -0.32 -2.03 0.00 3.38 -0.91 -2.36 115.31 114.11 1iug h LEU 95 Ca 0.22 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1iug h LEU 95 Cb 0.34 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1iug h LEU 95 CO -0.00 -0.13 -0.03 -0.08 0.09 0.00 0.00 178.44 178.29 1iug h GLU 96 N -0.50 0.00 0.00 1.13 4.22 -1.18 0.53 114.58 118.78 1iug h GLU 96 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1iug h GLU 96 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1iug h GLU 96 CO 0.06 0.03 0.00 0.00 -2.18 0.00 0.00 179.01 176.93 1iug n ALA 97 N -2.49 2.45 -2.84 2.92 0.00 -0.44 -4.88 120.51 115.23 1iug n ALA 97 Ca -0.03 -0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 1iug n ALA 97 Cb 0.12 -1.35 0.03 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 0.59 0.43 3.67 0.00 0.00 0.18 -4.49 105.19 105.56 1iug n GLY 98 Ca 0.16 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.17 3.32 -0.40 0.99 1.43 -0.91 -0.47 118.68 119.47 1iug s LEU 99 Ca 0.19 -0.39 -0.24 0.00 -1.03 0.00 0.00 54.13 52.66 1iug s LEU 99 Cb -0.08 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1iug s LEU 99 CO 0.25 0.09 0.82 -0.69 0.23 0.00 0.00 176.35 177.05 1iug s VAL 100 N -1.72 4.66 -0.20 -1.59 1.01 -0.72 -4.60 120.40 117.24 1iug s VAL 100 Ca 0.27 0.79 -0.04 0.00 0.00 0.00 0.00 61.98 63.01 1iug s VAL 100 Cb -0.09 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1iug s VAL 100 CO 0.19 -0.57 -0.04 -0.69 0.00 0.00 0.00 175.10 173.98 1iug s VAL 101 N 3.29 3.54 -0.29 2.92 1.01 -1.26 -1.56 120.40 128.04 1iug s VAL 101 Ca 0.33 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 1iug s VAL 101 Cb -0.12 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 1iug s VAL 101 CO 0.20 0.44 0.51 -0.70 0.00 0.00 0.00 175.10 175.55 1iug s GLU 102 N 1.10 3.93 -0.33 2.72 2.12 -0.78 -4.99 118.70 122.47 1iug s GLU 102 Ca 0.01 0.16 -0.08 0.00 0.36 0.00 0.00 54.97 55.42 1iug s GLU 102 Cb -0.15 -3.70 0.02 0.00 0.26 0.00 0.00 34.13 30.56 1iug s GLU 102 CO -0.00 -0.44 0.13 0.50 -0.54 0.00 0.00 175.26 174.91 1iug s ARG 103 N 2.33 2.94 -0.38 4.30 3.00 -1.26 -1.18 118.95 128.70 1iug s ARG 103 Ca 0.20 -0.98 -0.10 0.00 -1.00 0.00 0.00 55.73 53.85 1iug s ARG 103 Cb -0.16 -3.52 0.03 0.00 0.00 0.00 0.00 34.95 31.31 1iug s ARG 103 CO 0.11 -0.57 0.20 -0.51 0.00 0.00 0.00 175.30 174.53 1iug s LEU 104 N 1.51 4.74 0.16 -0.88 1.43 -1.15 -4.97 118.68 119.51 1iug s LEU 104 Ca 0.02 -1.07 -0.29 0.00 -1.03 0.00 0.00 54.13 51.77 1iug s LEU 104 Cb -0.18 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 43.96 1iug s LEU 104 CO 0.04 -0.40 0.90 -1.81 0.23 0.00 0.00 176.35 175.31 1iug s ASP 105 N 1.60 7.50 0.06 2.29 1.01 -1.26 -0.81 116.67 127.05 1iug s ASP 105 Ca 0.02 1.78 0.05 0.00 0.71 0.00 0.00 52.55 55.11 1iug s ASP 105 Cb -0.20 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.14 1iug s ASP 105 CO 0.06 0.08 -0.14 -0.31 0.21 0.00 0.00 175.17 175.07 1iug s TYR 106 N -0.65 1.21 0.33 4.23 1.51 0.17 -4.95 117.35 119.21 1iug s TYR 106 Ca 0.42 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.77 1iug s TYR 106 Cb -0.24 -0.69 -0.11 0.00 -0.11 0.00 0.00 41.96 40.81 1iug s TYR 106 CO 0.29 0.05 1.47 -2.14 -1.11 0.00 0.00 175.55 174.11 1iug s PRO 107 N -1.53 4.18 -0.02 -1.71 0.02 -1.26 -4.48 135.00 130.21 1iug s PRO 107 Ca -0.01 2.46 -0.34 0.00 0.02 0.00 0.00 61.00 63.13 1iug s PRO 107 Cb -0.09 -3.02 -0.13 0.00 0.02 0.00 0.00 34.50 31.28 1iug s PRO 107 CO 0.02 -0.47 1.77 0.66 -0.33 0.00 0.00 177.00 178.65 1iug n TYR 108 N 1.16 2.29 0.00 6.54 0.53 -1.26 -1.02 117.16 125.40 1iug n TYR 108 Ca 0.03 0.11 0.00 0.00 -1.02 0.00 0.00 57.90 57.02 1iug n TYR 108 Cb 0.39 -2.62 0.00 0.00 -1.03 0.00 0.00 39.34 36.09 1iug n TYR 108 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1iug n GLY 109 N 4.06 2.32 3.98 2.72 0.00 -1.25 -4.94 105.19 112.08 1iug n GLY 109 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.88 5.61 0.09 1.61 1.11 -0.19 -3.03 116.67 120.00 1iug s ASP 110 Ca 0.00 -0.09 0.03 0.00 0.18 0.00 0.00 52.55 52.67 1iug s ASP 110 Cb 0.00 -1.01 -0.04 0.00 1.07 0.00 0.00 42.92 42.94 1iug s ASP 110 CO 0.00 -0.83 -0.09 0.42 1.18 0.00 0.00 175.17 175.85 1iug s THR 111 N -2.51 0.82 0.56 -1.27 -4.23 -1.26 -4.84 115.64 102.91 1iug s THR 111 Ca 0.53 -1.61 -0.21 0.00 -1.18 0.00 0.00 61.69 59.22 1iug s THR 111 Cb -0.10 -1.30 -0.04 0.00 1.34 0.00 0.00 72.50 72.39 1iug s THR 111 CO 0.36 -0.59 1.28 -2.84 -0.54 0.00 0.00 174.62 172.28 1iug s PRO 112 N -2.80 3.12 0.05 3.99 0.02 -1.26 -5.03 135.00 133.08 1iug s PRO 112 Ca 0.04 2.03 -0.09 0.00 0.02 0.00 0.00 61.00 63.00 1iug s PRO 112 Cb -0.02 -2.14 -0.05 0.00 0.02 0.00 0.00 34.50 32.30 1iug s PRO 112 CO -0.01 -1.14 0.35 1.03 -0.33 0.00 0.00 177.00 176.90 1iug s ARG 113 N -3.04 3.71 0.52 5.54 1.81 -1.26 -4.81 118.95 121.42 1iug s ARG 113 Ca 0.73 0.10 0.22 0.00 -1.72 0.00 0.00 55.73 55.07 1iug s ARG 113 Cb -0.36 -3.05 1.34 0.00 -0.45 0.00 0.00 34.95 32.44 1iug s ARG 113 CO 0.41 0.60 2.05 -1.35 -0.68 0.00 0.00 175.30 176.33 1iug h PRO 114 N 3.90 0.02 0.00 3.54 0.11 -1.94 -0.41 132.00 137.22 1iug h PRO 114 Ca -0.50 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1iug h PRO 114 Cb 1.20 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1iug h PRO 114 CO 0.66 0.01 -0.26 0.93 -0.21 0.00 0.00 178.00 179.13 1iug h GLU 115 N 0.02 0.00 0.00 1.05 3.07 -1.94 -3.00 114.58 113.78 1iug h GLU 115 Ca 0.17 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.90 1iug h GLU 115 Cb 0.66 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 1iug h GLU 115 CO -0.00 0.26 -0.60 -0.44 -1.40 0.00 0.00 179.01 176.82 1iug h ASP 116 N 0.00 0.00 -0.05 1.42 3.32 -1.46 -3.20 116.42 116.45 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 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1iug h ASP 116 CO 0.03 0.60 0.00 1.33 -1.72 0.00 0.00 179.24 179.48 1iug n VAL 117 N -3.57 0.02 -1.50 -1.35 0.24 -1.17 -4.66 118.33 106.34 1iug n VAL 117 Ca -0.00 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.40 1iug n VAL 117 Cb 0.65 1.42 -0.02 0.00 -1.47 0.00 0.00 33.84 34.43 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 1.29 6.35 -2.76 2.33 0.00 -1.14 -4.33 120.51 122.24 1iug n ALA 118 Ca 0.15 -3.66 -0.32 0.00 0.00 0.00 0.00 53.44 49.60 1iug n ALA 118 Cb 0.59 -3.46 -0.14 0.00 0.00 0.00 0.00 19.45 16.43 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 2.81 2.83 0.20 0.00 -0.14 -1.26 -4.98 119.74 119.19 1iug s LYS 119 Ca 0.57 -0.75 -0.10 0.00 -1.36 0.00 0.00 55.97 54.34 1iug s LYS 119 Cb 0.16 -2.41 -0.07 0.00 -1.68 0.00 0.00 37.83 33.83 1iug s LYS 119 CO -0.07 0.41 0.52 -1.83 -0.76 0.00 0.00 175.35 173.62 1iug s GLU 120 N -0.20 3.80 0.00 1.68 -1.05 -1.26 -4.46 118.70 117.21 1iug s GLU 120 Ca -0.01 0.25 0.00 0.00 -0.15 0.00 0.00 54.97 55.06 1iug s GLU 120 Cb -0.13 -2.73 0.00 0.00 -0.44 0.00 0.00 34.13 30.82 1iug s GLU 120 CO 0.03 0.37 0.00 0.41 0.95 0.00 0.00 175.26 177.03 1iug n GLY 121 N 0.09 1.01 3.50 -3.83 0.00 -1.26 -5.09 105.19 99.62 1iug n GLY 121 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 2.75 -0.10 1.61 1.51 -1.26 -4.85 117.35 115.01 1iug s TYR 122 Ca 0.00 -0.12 0.16 0.00 -1.01 0.00 0.00 57.07 56.11 1iug s TYR 122 Cb 0.00 -1.64 0.22 0.00 -0.11 0.00 0.00 41.96 40.43 1iug s TYR 122 CO 0.00 0.23 1.51 0.00 -1.11 0.00 0.00 175.55 176.18 1iug h ALA 123 N 5.27 0.75 -2.95 3.71 0.00 -0.84 -3.42 119.26 121.78 1iug h ALA 123 Ca -0.47 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.06 1iug h ALA 123 Cb 1.16 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 1iug h ALA 123 CO 0.51 0.57 0.24 0.20 0.00 0.00 0.00 179.25 180.76 1iug s GLY 124 N -4.43 -0.35 -0.04 0.00 0.00 -1.10 -1.31 107.32 100.09 1iug s GLY 124 Ca 0.03 0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.89 1iug s GLY 124 CO 0.73 0.04 -0.08 -2.27 0.00 0.00 0.00 173.10 171.52 1iug s LEU 125 N -2.83 1.60 -0.16 0.66 2.96 -0.17 -0.88 118.68 119.86 1iug s LEU 125 Ca 0.06 -0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 53.77 1iug s LEU 125 Cb -0.03 -0.58 -0.00 0.00 0.50 0.00 0.00 46.19 46.07 1iug s LEU 125 CO -0.03 0.02 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.12 1iug s LEU 126 N 0.55 2.56 0.07 -0.68 1.43 -0.85 -1.03 118.68 120.72 1iug s LEU 126 Ca -0.09 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 52.62 1iug s LEU 126 Cb -0.12 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1iug s LEU 126 CO 0.01 0.08 -0.16 -0.76 0.23 0.00 0.00 176.35 175.76 1iug s LEU 127 N 0.85 2.26 -0.33 1.79 1.43 -0.35 -4.15 118.68 120.17 1iug s LEU 127 Ca -0.04 -0.59 -0.09 0.00 -1.03 0.00 0.00 54.13 52.38 1iug s LEU 127 Cb -0.15 -0.62 0.02 0.00 0.03 0.00 0.00 46.19 45.47 1iug s LEU 127 CO -0.00 -0.02 0.14 -0.69 0.23 0.00 0.00 176.35 176.01 1iug s VAL 128 N -1.15 4.28 0.06 -1.59 1.01 -1.26 -0.43 120.40 121.33 1iug s VAL 128 Ca 0.01 -0.75 -0.33 0.00 0.00 0.00 0.00 61.98 60.91 1iug s VAL 128 Cb -0.10 -3.29 -0.19 0.00 0.00 0.00 0.00 36.38 32.80 1iug s VAL 128 CO 0.02 -0.06 1.57 -0.74 0.00 0.00 0.00 175.10 175.89 1iug h HIS 129 N 8.32 -0.89 -3.74 5.22 2.76 -1.48 -3.40 115.15 121.94 1iug h HIS 129 Ca -0.28 -0.02 -0.67 0.00 -2.20 0.00 0.00 60.37 57.19 1iug h HIS 129 Cb 1.12 0.30 -0.37 0.00 1.55 0.00 0.00 27.41 30.01 1iug h HIS 129 CO 0.60 -0.55 -0.72 0.45 -1.30 0.00 0.00 177.93 176.42 1iug s SER 130 N -4.36 4.76 -1.04 3.26 0.15 -1.26 -1.12 113.70 114.09 1iug s SER 130 Ca -0.18 -1.68 -0.22 0.00 0.70 0.00 0.00 55.95 54.57 1iug s SER 130 Cb 0.03 -1.65 0.06 0.00 -1.71 0.00 0.00 66.02 62.75 1iug s SER 130 CO 0.60 -0.31 1.44 -0.70 1.20 0.00 0.00 173.24 175.47 1iug s GLU 131 N 1.08 3.63 0.47 5.44 2.56 0.03 -4.61 118.70 127.31 1iug s GLU 131 Ca 0.00 -1.28 0.22 0.00 0.00 0.00 0.00 54.97 53.91 1iug s GLU 131 Cb -0.20 -5.32 1.23 0.00 2.00 0.00 0.00 34.13 31.84 1iug s GLU 131 CO -0.05 -2.16 1.90 1.15 -0.56 0.00 0.00 175.26 175.54 1iug h THR 132 N 6.57 0.67 0.00 -1.70 2.02 -1.95 0.24 112.91 118.76 1iug h THR 132 Ca 0.22 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.27 1iug h THR 132 Cb 1.00 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1iug h THR 132 CO 1.39 0.04 -0.23 0.77 0.37 0.00 0.00 175.52 177.87 1iug h SER 133 N 0.24 0.00 0.00 4.18 4.64 -1.97 -3.27 113.55 117.37 1iug h SER 133 Ca 0.41 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1iug h SER 133 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1iug h SER 133 CO -0.10 0.23 -1.24 0.35 -0.87 0.00 0.00 176.83 175.20 1iug n THR 134 N -3.96 0.01 -0.64 2.95 -2.24 -0.60 -4.81 114.28 104.99 1iug n THR 134 Ca -0.02 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1iug n THR 134 Cb 0.31 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 2.21 0.65 3.81 3.38 0.00 0.76 -3.97 105.19 112.03 1iug n GLY 135 Ca -0.01 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 3.45 -0.22 4.61 0.00 -1.14 -1.84 121.76 124.62 1iug s ALA 136 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.11 1iug s ALA 136 Cb 0.00 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.35 1iug s ALA 136 CO 0.00 0.34 -0.11 -1.17 0.00 0.00 0.00 175.76 174.82 1iug s LEU 137 N -1.75 2.81 0.41 0.00 2.96 -0.94 -0.79 118.68 121.38 1iug s LEU 137 Ca 0.40 -0.80 -0.21 0.00 -0.22 0.00 0.00 54.13 53.30 1iug s LEU 137 Cb -0.18 -1.59 -0.11 0.00 0.50 0.00 0.00 46.19 44.81 1iug s LEU 137 CO 0.21 -0.08 0.93 0.00 -1.32 0.00 0.00 176.35 176.09 1iug s ALA 138 N 1.30 3.08 -1.28 5.97 0.00 -0.28 -4.76 121.76 125.80 1iug s ALA 138 Ca 0.01 0.38 -0.15 0.00 0.00 0.00 0.00 51.96 52.20 1iug s ALA 138 Cb -0.15 -3.12 0.11 0.00 0.00 0.00 0.00 23.12 19.96 1iug s ALA 138 CO -0.07 0.15 1.69 -3.47 0.00 0.00 0.00 175.76 174.06 1iug n ASP 139 N -0.50 4.95 -0.09 0.00 -0.08 -1.26 -4.87 116.55 114.69 1iug n ASP 139 Ca 0.06 -2.95 -0.08 0.00 -1.51 0.00 0.00 54.79 50.31 1iug n ASP 139 Cb 0.54 -1.65 -0.01 0.00 2.34 0.00 0.00 41.12 42.33 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 10.80 -0.96 -0.65 -2.67 5.85 -1.93 -1.24 115.31 124.52 1iug h LEU 140 Ca 0.41 0.17 0.03 0.00 0.84 0.00 0.00 57.88 59.33 1iug h LEU 140 Cb 0.82 0.45 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 1iug h LEU 140 CO 1.44 -0.30 0.40 -0.65 -0.34 0.00 0.00 178.44 178.99 1iug h PRO 141 N -0.25 0.76 -0.47 5.25 0.11 -1.90 0.08 132.00 135.58 1iug h PRO 141 Ca 0.16 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.11 1iug h PRO 141 Cb 0.51 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1iug h PRO 141 CO -0.49 0.50 -0.16 0.00 -0.21 0.00 0.00 178.00 177.64 1iug h ALA 142 N 1.28 0.81 -0.29 -0.75 0.00 -1.81 -2.36 119.26 116.14 1iug h ALA 142 Ca 0.26 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1iug h ALA 142 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1iug h ALA 142 CO -0.11 0.65 -0.24 -0.07 0.00 0.00 0.00 179.25 179.49 1iug h LEU 143 N 0.81 0.72 -0.28 0.00 3.38 -0.95 -2.90 115.31 116.08 1iug h LEU 143 Ca 0.12 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1iug h LEU 143 Cb 0.71 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1iug h LEU 143 CO 0.05 1.02 0.18 0.00 0.09 0.00 0.00 178.44 179.78 1iug h ALA 144 N 0.72 0.36 0.00 1.53 0.00 -0.90 -2.50 119.26 118.46 1iug h ALA 144 Ca 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1iug h ALA 144 Cb 0.80 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1iug h ALA 144 CO 0.06 -0.15 -0.15 0.07 0.00 0.00 0.00 179.25 179.08 1iug h ARG 145 N 0.37 0.00 -0.40 0.00 -0.00 -1.50 -1.26 114.38 111.59 1iug h ARG 145 Ca 0.10 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.93 1iug h ARG 145 Cb -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.95 1iug h ARG 145 CO -0.02 0.15 -0.35 0.00 -0.00 0.00 0.00 179.97 179.75 1iug h ALA 146 N 1.85 0.61 -0.27 0.08 0.00 -1.39 -1.10 119.26 119.03 1iug h ALA 146 Ca -0.00 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 1iug h ALA 146 Cb 1.00 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1iug h ALA 146 CO 0.02 0.68 -0.43 0.35 0.00 0.00 0.00 179.25 179.87 1iug h PHE 147 N 0.78 0.96 -0.24 0.00 3.57 -1.36 -3.17 116.94 117.49 1iug h PHE 147 Ca 0.07 -0.33 -0.04 0.00 3.53 0.00 0.00 57.97 61.20 1iug h PHE 147 Cb 0.94 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1iug h PHE 147 CO 0.06 1.12 -0.03 0.87 -2.23 0.00 0.00 178.31 178.10 1iug h LYS 148 N 0.53 0.36 -0.84 1.11 1.79 -1.08 0.33 116.57 118.77 1iug h LYS 148 Ca 0.02 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1iug h LYS 148 Cb 1.03 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.58 1iug h LYS 148 CO 0.10 0.42 0.46 0.93 -1.08 0.00 0.00 179.45 180.27 1iug h GLU 149 N 0.35 1.17 0.00 3.15 5.08 -1.17 -2.16 114.58 121.00 1iug h GLU 149 Ca 0.08 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1iug h GLU 149 Cb 0.29 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1iug h GLU 149 CO 0.01 0.86 -1.06 1.63 -1.00 0.00 0.00 179.01 179.44 1iug n LYS 150 N -4.34 0.42 -3.34 2.33 4.76 -1.08 -4.56 118.16 112.35 1iug n LYS 150 Ca 0.09 0.03 -0.26 0.00 -2.87 0.00 0.00 58.31 55.30 1iug n LYS 150 Cb 0.10 -1.67 -0.08 0.00 -1.84 0.00 0.00 35.03 31.54 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 -2.22 0.76 -0.07 4.39 3.02 0.08 -4.48 115.26 116.74 1iug n ASN 151 Ca 0.01 -2.76 0.24 0.00 -0.03 0.00 0.00 54.58 52.04 1iug n ASN 151 Cb 0.48 -0.63 0.70 0.00 -0.61 0.00 0.00 39.78 39.73 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 4.59 0.00 -0.43 3.52 0.11 -1.64 0.17 132.00 138.33 1iug h PRO 152 Ca 0.15 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1iug h PRO 152 Cb 0.84 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1iug h PRO 152 CO 0.51 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.70 1iug n GLU 153 N -4.33 2.54 -1.79 1.05 -0.58 -1.26 -5.00 120.64 111.27 1iug n GLU 153 Ca 0.13 -2.34 -0.30 0.00 -0.42 0.00 0.00 57.16 54.23 1iug n GLU 153 Cb 0.75 -1.52 0.05 0.00 -0.57 0.00 0.00 31.44 30.15 1iug n GLU 153 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1iug s GLY 154 N -1.43 1.63 -0.01 0.62 0.00 0.05 -5.00 107.32 103.19 1iug s GLY 154 Ca 0.40 -0.24 0.07 0.00 0.00 0.00 0.00 44.72 44.94 1iug s GLY 154 CO 0.32 0.12 -0.22 1.08 0.00 0.00 0.00 173.10 174.40 1iug s LEU 155 N -5.44 2.34 -0.29 0.66 1.43 -0.43 -4.97 118.68 111.99 1iug s LEU 155 Ca 0.58 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1iug s LEU 155 Cb -0.12 -1.42 0.05 0.00 0.03 0.00 0.00 46.19 44.73 1iug s LEU 155 CO 0.53 0.31 -0.03 -0.69 0.23 0.00 0.00 176.35 176.70 1iug s VAL 156 N -0.72 2.83 -0.11 -1.59 1.01 -1.26 -1.00 120.40 119.57 1iug s VAL 156 Ca 0.11 -1.39 -0.06 0.00 0.00 0.00 0.00 61.98 60.64 1iug s VAL 156 Cb -0.10 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1iug s VAL 156 CO 0.01 -0.06 0.13 -0.83 0.00 0.00 0.00 175.10 174.34 1iug s GLY 157 N 1.23 2.13 0.04 4.51 0.00 -0.20 -1.12 107.32 113.91 1iug s GLY 157 Ca -0.05 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.04 1iug s GLY 157 CO -0.02 -0.42 -0.12 0.00 0.00 0.00 0.00 173.10 172.54 1iug s ALA 158 N -1.04 0.94 -0.45 3.20 0.00 0.88 -1.22 121.76 124.08 1iug s ALA 158 Ca 0.16 -0.74 -0.18 0.00 0.00 0.00 0.00 51.96 51.20 1iug s ALA 158 Cb -0.12 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 22.92 1iug s ALA 158 CO 0.05 0.15 0.51 0.34 0.00 0.00 0.00 175.76 176.81 1iug s ASP 159 N -1.13 6.21 -0.28 0.00 -1.08 0.43 -0.84 116.67 119.99 1iug s ASP 159 Ca -0.01 -0.77 0.09 0.00 -0.52 0.00 0.00 52.55 51.34 1iug s ASP 159 Cb -0.08 -2.25 0.48 0.00 -1.46 0.00 0.00 42.92 39.62 1iug s ASP 159 CO 0.01 -0.70 1.40 0.23 0.52 0.00 0.00 175.17 176.63 1iug n MET 160 N 5.79 1.91 -0.33 4.34 2.81 0.58 -1.10 117.12 131.12 1iug n MET 160 Ca -0.07 -3.30 -0.01 0.00 -1.81 0.00 0.00 57.70 52.51 1iug n MET 160 Cb 0.46 -1.81 0.12 0.00 -0.71 0.00 0.00 33.22 31.29 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 1.08 1.14 -0.32 2.03 2.07 -1.86 -2.01 116.25 118.39 1iug h VAL 161 Ca 0.19 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 1iug h VAL 161 Cb 1.46 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1iug h VAL 161 CO 0.35 0.21 0.01 0.35 0.02 0.00 0.00 177.57 178.50 1iug n THR 162 N -4.52 2.40 -0.02 2.57 -2.24 -1.26 -4.40 114.28 106.81 1iug n THR 162 Ca 0.12 -2.08 -0.01 0.00 -2.27 0.00 0.00 64.05 59.81 1iug n THR 162 Cb 0.10 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 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 -0.66 4.15 -4.66 3.42 3.41 -1.06 -4.55 113.62 113.67 1iug n SER 163 Ca 0.26 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.45 1iug n SER 163 Cb 0.96 0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 65.51 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 -4.18 4.36 -0.42 1.04 2.96 -0.78 -1.02 118.68 120.65 1iug s LEU 164 Ca -0.02 2.41 0.00 0.00 -0.22 0.00 0.00 54.13 56.30 1iug s LEU 164 Cb 0.01 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.17 1iug s LEU 164 CO 0.14 -0.96 0.00 -0.11 -1.32 0.00 0.00 176.35 174.10 1iug n LEU 165 N 7.11 0.07 -0.01 -0.68 7.94 -1.26 -4.31 117.00 125.85 1iug n LEU 165 Ca 0.18 0.10 -0.02 0.00 -1.11 0.00 0.00 56.01 55.16 1iug n LEU 165 Cb 0.42 -1.66 -0.01 0.00 0.53 0.00 0.00 43.42 42.70 1iug n LEU 165 CO 0.64 -0.56 -0.58 0.52 -1.11 0.00 0.00 177.39 176.30 1iug n VAL 166 N -2.53 0.14 -4.33 1.96 0.31 -0.72 -4.84 118.33 108.32 1iug n VAL 166 Ca -0.04 -0.05 -0.21 0.00 -0.01 0.00 0.00 64.34 64.03 1iug n VAL 166 Cb 0.31 -0.85 -0.08 0.00 -0.91 0.00 0.00 33.84 32.31 1iug n VAL 166 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1iug s GLY 167 N -4.46 2.41 0.17 2.92 0.00 -0.19 -4.70 107.32 103.46 1iug s GLY 167 Ca -0.03 -1.90 -0.31 0.00 0.00 0.00 0.00 44.72 42.48 1iug s GLY 167 CO 0.05 -1.54 1.35 -0.54 0.00 0.00 0.00 173.10 172.42 1iug s GLU 168 N -3.49 4.35 0.05 2.90 0.41 -1.26 -4.67 118.70 116.99 1iug s GLU 168 Ca 0.37 2.07 -0.04 0.00 -0.41 0.00 0.00 54.97 56.97 1iug s GLU 168 Cb 0.02 -3.21 -0.02 0.00 -1.78 0.00 0.00 34.13 29.14 1iug s GLU 168 CO 0.25 -0.34 0.05 0.14 -0.49 0.00 0.00 175.26 174.88 1iug s VAL 169 N 0.52 0.16 -0.04 2.63 -7.23 -1.26 -5.01 120.40 110.18 1iug s VAL 169 Ca 0.60 -1.36 -0.29 0.00 -1.81 0.00 0.00 61.98 59.12 1iug s VAL 169 Cb -0.37 -1.15 0.11 0.00 0.56 0.00 0.00 36.38 35.53 1iug s VAL 169 CO 0.35 -0.75 0.91 0.00 -0.31 0.00 0.00 175.10 175.30 1iug s ALA 170 N -3.21 -1.84 0.00 1.32 0.00 -1.25 -4.62 121.76 112.15 1iug s ALA 170 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1iug s ALA 170 Cb 0.03 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.36 1iug s ALA 170 CO -0.07 -0.62 0.00 1.28 0.00 0.00 0.00 175.76 176.35 1iug n LEU 171 N -0.05 0.00 -0.08 0.00 4.32 -1.09 -4.40 117.00 115.71 1iug n LEU 171 Ca -0.09 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.03 1iug n LEU 171 Cb 0.61 0.00 0.52 0.00 -1.62 0.00 0.00 43.42 42.93 1iug n LEU 171 CO 0.12 0.00 1.19 1.05 -1.22 0.00 0.00 177.39 178.52 1iug h GLU 172 N 0.00 0.36 0.00 3.23 9.09 -1.71 0.06 114.58 125.61 1iug h GLU 172 Ca 0.00 -0.02 -0.02 0.00 0.05 0.00 0.00 59.36 59.37 1iug h GLU 172 Cb 0.00 -0.08 -0.00 0.00 -1.65 0.00 0.00 28.75 27.02 1iug h GLU 172 CO 0.00 0.24 -0.09 0.00 0.05 0.00 0.00 179.01 179.21 1iug h ALA 173 N 1.70 1.18 -0.38 1.06 0.00 -1.86 -1.49 119.26 119.48 1iug h ALA 173 Ca 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1iug h ALA 173 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1iug h ALA 173 CO -0.07 0.11 0.00 -1.33 0.00 0.00 0.00 179.25 177.96 1iug n MET 174 N -3.45 2.36 -0.92 0.00 2.81 -0.20 -4.95 117.12 112.78 1iug n MET 174 Ca -0.01 -2.11 0.00 0.00 -1.81 0.00 0.00 57.70 53.77 1iug n MET 174 Cb 0.24 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 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 1.08 0.64 3.72 3.03 0.00 -0.56 -4.06 105.19 109.04 1iug n GLY 175 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.41 5.18 -0.02 1.61 1.01 -0.17 -4.69 120.40 120.91 1iug s VAL 176 Ca 0.00 0.97 0.03 0.00 0.00 0.00 0.00 61.98 62.97 1iug s VAL 176 Cb 0.00 -3.83 -0.25 0.00 0.00 0.00 0.00 36.38 32.30 1iug s VAL 176 CO 0.00 0.31 0.77 0.44 0.00 0.00 0.00 175.10 176.62 1iug h ASP 177 N 6.78 0.23 -5.01 3.32 3.32 -1.39 -2.80 116.42 120.87 1iug h ASP 177 Ca -0.40 -0.37 -0.11 0.00 0.02 0.00 0.00 57.03 56.16 1iug h ASP 177 Cb 1.18 -0.07 -0.19 0.00 0.22 0.00 0.00 39.33 40.46 1iug h ASP 177 CO 0.75 1.32 -0.28 0.00 -1.72 0.00 0.00 179.24 179.31 1iug s ALA 178 N -2.61 -0.72 0.05 3.45 0.00 -1.07 -1.23 121.76 119.62 1iug s ALA 178 Ca -0.09 0.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.01 1iug s ALA 178 Cb 0.07 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 1iug s ALA 178 CO 0.83 -0.29 0.15 0.00 0.00 0.00 0.00 175.76 176.45 1iug s ALA 179 N -1.64 -0.21 0.03 0.00 0.00 -0.39 -0.08 121.76 119.47 1iug s ALA 179 Ca -0.11 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 51.44 1iug s ALA 179 Cb -0.04 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 1iug s ALA 179 CO 0.02 -0.37 -0.17 0.00 0.00 0.00 0.00 175.76 175.25 1iug s ALA 180 N -2.84 1.39 0.32 0.00 0.00 -0.02 -0.64 121.76 119.97 1iug s ALA 180 Ca -0.03 -0.88 -0.06 0.00 0.00 0.00 0.00 51.96 50.99 1iug s ALA 180 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1iug s ALA 180 CO -0.05 0.29 0.48 0.45 0.00 0.00 0.00 175.76 176.93 1iug s SER 181 N -1.05 0.58 0.35 0.00 0.15 -0.59 -0.31 113.70 112.83 1iug s SER 181 Ca 0.04 -1.33 0.05 0.00 0.70 0.00 0.00 55.95 55.42 1iug s SER 181 Cb -0.08 0.64 -0.03 0.00 -1.71 0.00 0.00 66.02 64.85 1iug s SER 181 CO 0.01 -1.27 0.21 -0.83 1.20 0.00 0.00 173.24 172.57 1iug s GLY 182 N -3.17 2.36 0.18 9.45 0.00 -1.26 -0.25 107.32 114.63 1iug s GLY 182 Ca 0.28 -1.74 0.22 0.00 0.00 0.00 0.00 44.72 43.48 1iug s GLY 182 CO 0.17 -1.60 1.00 -1.14 0.00 0.00 0.00 173.10 171.53 1iug n SER 183 N -1.35 0.82 -2.09 1.64 3.41 -0.85 -4.72 113.62 110.49 1iug n SER 183 Ca 0.02 0.32 -0.25 0.00 -0.26 0.00 0.00 58.87 58.71 1iug n SER 183 Cb 0.64 0.47 0.06 0.00 -0.26 0.00 0.00 64.21 65.12 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 -2.69 2.20 -0.09 4.33 0.00 -1.24 -2.24 117.38 117.65 1iug n GLN 184 Ca -0.01 -2.34 0.14 0.00 0.00 0.00 0.00 57.00 54.79 1iug n GLN 184 Cb 0.58 -1.92 0.22 0.00 0.00 0.00 0.00 30.24 29.12 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 -0.24 -0.41 0.13 2.61 0.00 -1.26 -3.15 105.19 102.87 1iug n GLY 186 Ca 0.45 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.78 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 -2.31 0.75 -3.16 0.99 4.77 -1.26 -4.84 117.00 111.94 1iug n LEU 187 Ca 0.12 0.65 -0.22 0.00 -0.03 0.00 0.00 56.01 56.53 1iug n LEU 187 Cb 0.84 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 41.47 1iug n LEU 187 CO 0.12 -0.48 0.10 0.23 -1.33 0.00 0.00 177.39 176.03 1iug n MET 188 N -2.29 -5.97 -4.55 3.23 2.81 -1.25 -4.89 117.12 104.20 1iug n MET 188 Ca 0.03 0.86 -0.26 0.00 -1.81 0.00 0.00 57.70 56.51 1iug n MET 188 Cb 0.29 -5.73 -0.11 0.00 -0.71 0.00 0.00 33.22 26.96 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 -3.62 1.79 0.60 0.00 0.02 -1.26 -3.59 135.00 128.93 1iug s PRO 190 Ca 0.33 1.14 -0.17 0.00 0.02 0.00 0.00 61.00 62.32 1iug s PRO 190 Cb 0.03 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.68 1iug s PRO 190 CO 0.17 -1.96 1.13 -2.14 -0.33 0.00 0.00 177.00 173.86 1iug s PRO 191 N -4.86 3.07 0.00 5.54 0.02 -1.26 -4.00 135.00 133.51 1iug s PRO 191 Ca 0.63 1.53 0.00 0.00 0.02 0.00 0.00 61.00 63.18 1iug s PRO 191 Cb -0.18 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.36 1iug s PRO 191 CO 0.57 -1.06 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 1iug n GLY 192 N -0.11 0.76 3.24 0.52 0.00 -1.26 -4.99 105.19 103.35 1iug n GLY 192 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 2.19 0.05 0.99 1.43 -0.89 -1.07 118.68 121.39 1iug s LEU 193 Ca 0.00 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.61 1iug s LEU 193 Cb 0.00 -0.89 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 1iug s LEU 193 CO 0.00 0.12 -0.14 -0.83 0.23 0.00 0.00 176.35 175.73 1iug s GLY 194 N -1.30 0.83 -0.03 -3.19 0.00 0.04 -2.00 107.32 101.66 1iug s GLY 194 Ca 0.06 -0.91 0.05 0.00 0.00 0.00 0.00 44.72 43.92 1iug s GLY 194 CO 0.02 -0.91 -0.17 -1.36 0.00 0.00 0.00 173.10 170.68 1iug s PHE 195 N -1.05 1.61 -0.25 1.90 0.40 0.65 -0.50 117.98 120.73 1iug s PHE 195 Ca -0.00 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 55.95 1iug s PHE 195 Cb -0.09 -1.07 0.05 0.00 0.51 0.00 0.00 43.02 42.43 1iug s PHE 195 CO 0.02 -0.11 -0.11 0.08 0.70 0.00 0.00 175.22 175.80 1iug s VAL 196 N -0.13 2.30 -0.21 -0.44 1.01 -0.70 -1.54 120.40 120.69 1iug s VAL 196 Ca 0.00 -1.46 -0.12 0.00 0.00 0.00 0.00 61.98 60.41 1iug s VAL 196 Cb -0.09 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1iug s VAL 196 CO 0.01 0.06 0.20 0.00 0.00 0.00 0.00 175.10 175.37 1iug s ALA 197 N 1.16 3.63 -0.13 5.51 0.00 0.19 -0.25 121.76 131.87 1iug s ALA 197 Ca -0.06 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1iug s ALA 197 Cb -0.19 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.63 1iug s ALA 197 CO -0.06 -0.03 -0.19 -0.51 0.00 0.00 0.00 175.76 174.97 1iug s LEU 198 N 0.74 1.96 0.84 0.00 1.43 0.57 -1.26 118.68 122.96 1iug s LEU 198 Ca 0.11 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 1iug s LEU 198 Cb -0.13 -1.32 0.09 0.00 0.03 0.00 0.00 46.19 44.87 1iug s LEU 198 CO 0.02 0.05 1.10 -0.94 0.23 0.00 0.00 176.35 176.81 1iug s SER 199 N 0.95 4.10 0.31 2.29 1.04 -0.36 -1.01 113.70 121.02 1iug s SER 199 Ca -0.05 1.30 0.03 0.00 0.48 0.00 0.00 55.95 57.70 1iug s SER 199 Cb -0.15 -2.00 0.62 0.00 0.10 0.00 0.00 66.02 64.59 1iug s SER 199 CO -0.03 -2.22 1.88 -0.65 0.98 0.00 0.00 173.24 173.21 1iug h PRO 200 N -1.26 0.90 -0.06 4.02 0.11 -1.88 -0.75 132.00 133.07 1iug h PRO 200 Ca -0.48 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.60 1iug h PRO 200 Cb 1.28 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1iug h PRO 200 CO 0.59 0.59 -0.09 -0.09 -0.21 0.00 0.00 178.00 178.79 1iug h ARG 201 N 0.92 -0.12 -0.23 1.05 1.12 -1.91 -2.55 114.38 112.66 1iug h ARG 201 Ca 0.43 0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 59.23 1iug h ARG 201 Cb 0.41 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.38 1iug h ARG 201 CO -0.19 -0.08 -0.17 0.00 -3.11 0.00 0.00 179.97 176.42 1iug h ALA 202 N 0.92 1.28 -0.53 2.80 0.00 -1.51 -2.98 119.26 119.23 1iug h ALA 202 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1iug h ALA 202 Cb 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1iug h ALA 202 CO -0.14 0.48 0.29 -0.07 0.00 0.00 0.00 179.25 179.81 1iug h LEU 203 N 0.36 0.65 -0.08 0.00 3.38 -0.76 -1.91 115.31 116.96 1iug h LEU 203 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1iug h LEU 203 Cb 0.52 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1iug h LEU 203 CO 0.03 0.52 0.00 -0.33 0.09 0.00 0.00 178.44 178.76 1iug h GLU 204 N 0.74 0.00 -0.32 1.13 5.08 -1.38 -3.20 114.58 116.63 1iug h GLU 204 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1iug h GLU 204 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1iug h GLU 204 CO -0.03 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.52 1iug n ARG 205 N -3.05 2.21 -1.68 2.33 5.12 -0.76 -5.00 116.66 115.84 1iug n ARG 205 Ca 0.04 -1.84 -0.49 0.00 -1.93 0.00 0.00 57.85 53.64 1iug n ARG 205 Cb 0.51 -1.46 -0.05 0.00 -1.16 0.00 0.00 32.46 30.30 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 1.05 3.19 -3.81 0.55 7.94 -0.97 -4.84 117.00 120.11 1iug n LEU 206 Ca 0.18 1.02 -0.33 0.00 -1.11 0.00 0.00 56.01 55.77 1iug n LEU 206 Cb 0.50 -1.36 -0.07 0.00 0.53 0.00 0.00 43.42 43.02 1iug n LEU 206 CO 0.14 -0.19 0.32 0.29 -1.11 0.00 0.00 177.39 176.84 1iug n LYS 207 N 5.52 2.76 -1.64 1.96 4.76 0.10 -5.02 118.16 126.60 1iug n LYS 207 Ca 0.21 -4.57 -0.54 0.00 -2.87 0.00 0.00 58.31 50.55 1iug n LYS 207 Cb 0.27 -2.35 -0.06 0.00 -1.84 0.00 0.00 35.03 31.05 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 1.56 1.20 -3.60 1.97 -0.02 -1.26 -4.28 135.00 130.57 1iug n PRO 208 Ca 0.25 0.44 -0.13 0.00 -2.02 0.00 0.00 63.50 62.04 1iug n PRO 208 Cb 0.37 -2.11 -0.07 0.00 -0.02 0.00 0.00 33.50 31.68 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 1.81 0.74 0.00 -0.52 3.00 -1.26 -5.03 118.95 117.69 1iug s ARG 209 Ca 0.90 0.62 0.00 0.00 -1.00 0.00 0.00 55.73 56.25 1iug s ARG 209 Cb -0.99 0.36 0.00 0.00 0.00 0.00 0.00 34.95 34.32 1iug s ARG 209 CO 0.54 -0.14 0.00 0.41 0.00 0.00 0.00 175.30 176.11 1iug n GLY 210 N 1.94 -1.39 0.69 8.12 0.00 -1.26 -4.19 105.19 109.11 1iug n GLY 210 Ca -0.14 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.03 0.00 -0.05 1.61 9.36 -1.26 -4.53 117.16 122.26 1iug n TYR 211 Ca 0.00 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.24 1iug n TYR 211 Cb 0.00 0.00 0.34 0.00 -0.63 0.00 0.00 39.34 39.05 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 0.63 -0.69 2.98 3.20 -2.06 -2.87 116.97 118.15 1iug h TYR 212 Ca 0.00 -0.01 -0.29 0.00 3.14 0.00 0.00 58.73 61.57 1iug h TYR 212 Cb 0.00 -0.20 -0.17 0.00 1.54 0.00 0.00 36.73 37.89 1iug h TYR 212 CO 0.00 0.45 0.29 1.47 -1.64 0.00 0.00 178.16 178.74 1iug n LEU 213 N -4.41 5.67 -4.61 2.82 -0.00 -1.26 -4.93 117.00 110.27 1iug n LEU 213 Ca 0.04 -3.46 -0.43 0.00 -0.00 0.00 0.00 56.01 52.16 1iug n LEU 213 Cb 0.11 -0.73 -0.02 0.00 -0.00 0.00 0.00 43.42 42.77 1iug n LEU 213 CO 0.37 0.98 1.28 -0.62 -0.00 0.00 0.00 177.39 179.39 1iug s ASP 214 N -1.55 6.37 0.47 1.45 -1.08 -1.09 -4.85 116.67 116.38 1iug s ASP 214 Ca 0.52 1.15 0.27 0.00 -0.52 0.00 0.00 52.55 53.97 1iug s ASP 214 Cb 0.44 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 40.28 1iug s ASP 214 CO 0.09 -1.35 1.82 -0.07 0.52 0.00 0.00 175.17 176.18 1iug h LEU 215 N 11.97 0.00 -0.01 -1.34 4.07 -1.91 -3.23 115.31 124.85 1iug h LEU 215 Ca -0.29 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.67 1iug h LEU 215 Cb 1.12 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.86 1iug h LEU 215 CO 1.05 0.12 0.01 0.00 -1.08 0.00 0.00 178.44 178.53 1iug h ALA 216 N 1.88 0.02 0.00 1.53 0.00 -1.97 0.35 119.26 121.07 1iug h ALA 216 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1iug h ALA 216 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1iug h ALA 216 CO 0.02 -0.42 -0.08 2.89 0.00 0.00 0.00 179.25 181.66 1iug n ARG 217 N -5.02 0.05 0.03 0.00 0.00 -1.24 -1.84 116.66 108.64 1iug n ARG 217 Ca -0.07 0.04 -0.19 0.00 -0.00 0.00 0.00 57.85 57.63 1iug n ARG 217 Cb 0.09 -1.56 -0.12 0.00 -0.00 0.00 0.00 32.46 30.87 1iug n ARG 217 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1iug h GLU 218 N 0.00 0.43 -0.16 2.89 4.39 -1.53 -2.22 114.58 118.38 1iug h GLU 218 Ca 0.00 -0.53 0.01 0.00 0.34 0.00 0.00 59.36 59.18 1iug h GLU 218 Cb 0.55 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1iug h GLU 218 CO 0.00 1.18 0.07 1.25 -1.16 0.00 0.00 179.01 180.36 1iug h LEU 219 N -0.09 0.11 -0.46 1.33 7.12 -0.86 0.96 115.31 123.42 1iug h LEU 219 Ca -0.11 0.01 0.09 0.00 0.13 0.00 0.00 57.88 58.00 1iug h LEU 219 Cb 1.49 -0.01 -0.07 0.00 -0.53 0.00 0.00 40.66 41.53 1iug h LEU 219 CO 0.15 0.09 0.02 0.50 -0.13 0.00 0.00 178.44 179.06 1iug h LYS 220 N 0.17 0.13 0.01 1.25 3.11 -1.40 -1.44 116.57 118.40 1iug h LYS 220 Ca 0.07 -0.01 -0.15 0.00 -2.81 0.00 0.00 60.65 57.75 1iug h LYS 220 Cb 0.02 -0.03 0.01 0.00 -1.00 0.00 0.00 32.23 31.23 1iug h LYS 220 CO -0.05 0.09 -0.58 0.00 -2.81 0.00 0.00 179.45 176.09 1iug h ALA 221 N 1.40 0.05 0.00 5.00 0.00 -0.82 -3.32 119.26 121.57 1iug h ALA 221 Ca 0.23 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1iug h ALA 221 Cb 0.33 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1iug h ALA 221 CO -0.37 0.33 -0.04 1.96 0.00 0.00 0.00 179.25 181.13 1iug h GLN 222 N -0.17 0.00 -0.61 0.00 4.20 0.11 -1.18 115.11 117.46 1iug h GLN 222 Ca -0.08 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1iug h GLN 222 Cb 1.31 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.06 1iug h GLN 222 CO 0.11 0.04 0.38 0.87 -0.67 0.00 0.00 178.83 179.56 1iug h LYS 223 N 0.00 0.82 -0.59 1.46 1.79 -1.36 -1.93 116.57 116.76 1iug h LYS 223 Ca -0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1iug h LYS 223 Cb 0.39 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1iug h LYS 223 CO 0.00 0.57 0.00 -1.91 -1.08 0.00 0.00 179.45 177.03 1iug n GLU 224 N -4.42 2.42 -0.69 3.15 2.13 -0.82 -4.92 120.64 117.48 1iug n GLU 224 Ca 0.06 -2.20 0.00 0.00 0.66 0.00 0.00 57.16 55.68 1iug n GLU 224 Cb 0.06 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.29 1iug n GLU 224 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1iug n GLY 225 N 1.48 0.62 0.00 8.31 0.00 -0.72 -5.00 105.19 109.87 1iug n GLY 225 Ca 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.69 1.65 -3.70 1.61 -0.58 -0.51 -4.40 120.64 112.02 1iug n GLU 226 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 1iug n GLU 226 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 1iug n GLU 226 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1iug s SER 227 N -0.93 -0.14 0.16 1.62 1.04 -1.26 -2.84 113.70 111.35 1iug s SER 227 Ca 0.00 -0.36 -0.16 0.00 0.48 0.00 0.00 55.95 55.91 1iug s SER 227 Cb 0.00 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.59 1iug s SER 227 CO 0.00 -0.78 1.79 0.00 0.98 0.00 0.00 173.24 175.23 1iug h ALA 228 N 2.60 0.50 -4.04 5.32 0.00 -1.85 -3.46 119.26 118.33 1iug h ALA 228 Ca -0.34 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1iug h ALA 228 Cb 1.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1iug h ALA 228 CO 0.49 -0.13 -0.07 0.91 0.00 0.00 0.00 179.25 180.45 1iug n TRP 229 N -4.89 0.14 -2.22 0.00 7.02 -1.26 -5.08 117.44 111.14 1iug n TRP 229 Ca 0.01 -0.38 -0.42 0.00 -1.02 0.00 0.00 57.50 55.69 1iug n TRP 229 Cb 0.08 -0.04 -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 -1.40 3.79 0.40 -0.99 2.01 -1.26 -5.00 115.64 113.17 1iug s THR 230 Ca 0.01 1.11 -0.04 0.00 0.31 0.00 0.00 61.69 63.08 1iug s THR 230 Cb 0.00 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1iug s THR 230 CO 0.01 -0.03 0.67 -2.16 -0.69 0.00 0.00 174.62 172.41 1iug s PRO 231 N 2.80 3.56 -1.28 4.92 0.04 -1.26 -4.95 135.00 138.82 1iug s PRO 231 Ca 0.64 0.02 -0.17 0.00 0.04 0.00 0.00 61.00 61.53 1iug s PRO 231 Cb -0.30 -2.52 -0.00 0.00 0.04 0.00 0.00 34.50 31.72 1iug s PRO 231 CO 0.25 0.00 2.08 0.00 0.04 0.00 0.00 177.00 179.37 1iug n ALA 232 N -1.77 4.62 -0.10 8.56 0.00 -1.26 -4.73 120.51 125.83 1iug n ALA 232 Ca -0.01 -3.72 0.22 0.00 0.00 0.00 0.00 53.44 49.92 1iug n ALA 232 Cb 0.55 -3.57 0.66 0.00 0.00 0.00 0.00 19.45 17.09 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 4.44 0.68 -0.43 0.00 6.09 -1.95 -1.50 117.51 124.85 1iug h ILE 233 Ca 0.51 -0.03 -0.05 0.00 -1.37 0.00 0.00 64.86 63.91 1iug h ILE 233 Cb 0.70 0.57 -0.02 0.00 0.47 0.00 0.00 36.82 38.54 1iug h ILE 233 CO 1.81 0.02 0.07 0.78 -3.07 0.00 0.00 178.15 177.76 1iug h ASN 234 N 0.10 0.68 -0.04 2.19 4.21 -1.94 -1.89 115.58 118.88 1iug h ASN 234 Ca 0.34 -0.26 -0.13 0.00 1.21 0.00 0.00 56.30 57.46 1iug h ASN 234 Cb 1.22 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 38.23 1iug h ASN 234 CO -0.04 0.76 -0.42 -0.07 -1.29 0.00 0.00 177.43 176.38 1iug h LEU 235 N 0.56 0.60 -1.07 1.61 3.38 -1.70 -2.81 115.31 115.88 1iug h LEU 235 Ca 0.13 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1iug h LEU 235 Cb 0.37 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1iug h LEU 235 CO 0.01 0.94 0.56 0.58 0.09 0.00 0.00 178.44 180.62 1iug h VAL 236 N 0.46 1.24 -0.52 1.22 2.07 -1.14 -0.25 116.25 119.33 1iug h VAL 236 Ca 0.04 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1iug h VAL 236 Cb 0.92 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1iug h VAL 236 CO 0.08 0.24 0.29 -0.07 0.02 0.00 0.00 177.57 178.13 1iug h LEU 237 N 1.22 0.63 -0.70 2.57 3.38 -1.16 -0.82 115.31 120.43 1iug h LEU 237 Ca 0.32 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1iug h LEU 237 Cb -0.09 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1iug h LEU 237 CO -0.06 0.53 0.36 0.00 0.09 0.00 0.00 178.44 179.35 1iug h ALA 238 N 1.13 0.91 -0.37 1.53 0.00 -1.11 -1.11 119.26 120.24 1iug h ALA 238 Ca 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1iug h ALA 238 Cb 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1iug h ALA 238 CO -0.03 0.45 0.15 0.28 0.00 0.00 0.00 179.25 180.10 1iug h VAL 239 N 0.98 1.19 -0.27 0.00 2.07 -0.67 -2.17 116.25 117.37 1iug h VAL 239 Ca 0.24 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1iug h VAL 239 Cb 0.09 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1iug h VAL 239 CO -0.03 0.21 0.15 0.00 0.02 0.00 0.00 177.57 177.92 1iug h ALA 240 N 0.99 0.35 -0.65 1.67 0.00 -0.94 -1.61 119.26 119.07 1iug h ALA 240 Ca 0.12 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1iug h ALA 240 Cb 0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1iug h ALA 240 CO -0.01 -0.13 0.40 0.00 0.00 0.00 0.00 179.25 179.51 1iug h ALA 241 N 1.03 0.85 -0.15 0.00 0.00 -1.12 -0.92 119.26 118.96 1iug h ALA 241 Ca 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1iug h ALA 241 Cb 0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1iug h ALA 241 CO -0.02 0.16 -0.07 0.28 0.00 0.00 0.00 179.25 179.60 1iug h VAL 242 N 0.79 1.31 -0.51 0.00 2.07 -1.27 -3.10 116.25 115.54 1iug h VAL 242 Ca 0.26 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1iug h VAL 242 Cb 0.03 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1iug h VAL 242 CO -0.11 0.32 0.27 -0.07 0.02 0.00 0.00 177.57 178.01 1iug h LEU 243 N -0.02 0.62 -1.44 2.57 3.38 -1.13 -0.69 115.31 118.60 1iug h LEU 243 Ca 0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1iug h LEU 243 Cb 0.54 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1iug h LEU 243 CO 0.02 0.51 0.10 -0.33 0.09 0.00 0.00 178.44 178.83 1iug h GLU 244 N 0.71 0.47 0.17 1.13 5.08 -1.13 -1.42 114.58 119.59 1iug h GLU 244 Ca 0.18 -0.07 -0.35 0.00 -1.00 0.00 0.00 59.36 58.13 1iug h GLU 244 Cb 0.03 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1iug h GLU 244 CO -0.03 0.42 -1.77 1.49 -1.00 0.00 0.00 179.01 178.12 1iug h GLU 245 N 0.47 0.36 0.09 2.33 4.81 -1.31 -3.41 114.58 117.92 1iug h GLU 245 Ca 0.11 -0.62 -0.19 0.00 -0.13 0.00 0.00 59.36 58.53 1iug h GLU 245 Cb 0.15 0.23 0.02 0.00 0.63 0.00 0.00 28.75 29.78 1iug h GLU 245 CO -0.01 1.28 -0.80 0.28 -0.73 0.00 0.00 179.01 179.03 1iug h VAL 246 N 0.10 1.45 -0.93 0.32 2.07 -1.09 -3.38 116.25 114.78 1iug h VAL 246 Ca -0.35 -2.36 0.19 0.00 0.82 0.00 0.00 66.70 65.00 1iug h VAL 246 Cb 2.09 2.92 -0.11 0.00 -1.52 0.00 0.00 31.29 34.67 1iug h VAL 246 CO 0.16 0.68 0.51 -0.07 0.02 0.00 0.00 177.57 178.88 1iug h LEU 247 N -0.19 0.60 -1.62 2.57 4.07 -1.49 0.03 115.31 119.29 1iug h LEU 247 Ca -0.13 0.11 -0.03 0.00 0.08 0.00 0.00 57.88 57.91 1iug h LEU 247 Cb 1.57 0.02 -0.00 0.00 1.08 0.00 0.00 40.66 43.32 1iug h LEU 247 CO 0.15 0.19 -0.15 -0.65 -1.08 0.00 0.00 178.44 176.90 1iug h PRO 248 N 0.63 0.00 -0.27 1.13 0.11 -1.79 -2.85 132.00 128.96 1iug h PRO 248 Ca 0.55 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.48 1iug h PRO 248 Cb 0.89 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 31.87 1iug h PRO 248 CO -0.42 0.15 -0.48 0.54 -0.21 0.00 0.00 178.00 177.58 1iug n ARG 249 N -3.47 2.15 -0.11 1.05 5.12 -0.33 -4.87 116.66 116.19 1iug n ARG 249 Ca -0.01 -3.50 -0.06 0.00 -1.93 0.00 0.00 57.85 52.35 1iug n ARG 249 Cb 0.31 -1.83 0.01 0.00 -1.16 0.00 0.00 32.46 29.79 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 1.31 -0.65 -0.97 0.55 5.85 -0.81 -1.14 115.31 119.45 1iug h LEU 250 Ca 0.14 0.15 0.09 0.00 0.84 0.00 0.00 57.88 59.10 1iug h LEU 250 Cb 1.24 0.35 -0.07 0.00 0.37 0.00 0.00 40.66 42.55 1iug h LEU 250 CO 0.29 -0.22 0.62 -0.08 -0.34 0.00 0.00 178.44 178.70 1iug h GLU 251 N -0.12 1.03 -0.35 1.25 4.57 -1.88 0.94 114.58 120.01 1iug h GLU 251 Ca 0.19 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 58.15 1iug h GLU 251 Cb 0.42 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1iug h GLU 251 CO -0.46 0.68 -0.39 0.93 -1.18 0.00 0.00 179.01 178.59 1iug h GLU 252 N 1.06 0.86 -0.51 1.92 3.07 -1.80 -1.83 114.58 117.35 1iug h GLU 252 Ca 0.45 -0.45 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1iug h GLU 252 Cb 0.30 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1iug h GLU 252 CO -0.21 1.09 0.15 1.25 -1.40 0.00 0.00 179.01 179.88 1iug h HIS 253 N 0.70 0.83 -0.50 4.33 2.76 -0.04 -1.38 115.15 121.85 1iug h HIS 253 Ca 0.06 -0.09 -0.07 0.00 -2.20 0.00 0.00 60.37 58.07 1iug h HIS 253 Cb 0.96 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.67 1iug h HIS 253 CO 0.06 0.73 0.05 -0.07 -1.30 0.00 0.00 177.93 177.40 1iug h LEU 254 N 0.70 0.82 -0.90 0.26 3.38 -0.81 -1.84 115.31 116.92 1iug h LEU 254 Ca 0.16 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1iug h LEU 254 Cb 0.30 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1iug h LEU 254 CO -0.00 0.89 0.11 0.00 0.09 0.00 0.00 178.44 179.53 1iug h ALA 255 N 0.96 1.10 -0.13 1.53 0.00 -1.18 -1.23 119.26 120.31 1iug h ALA 255 Ca 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1iug h ALA 255 Cb 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1iug h ALA 255 CO 0.02 0.59 0.03 1.25 0.00 0.00 0.00 179.25 181.13 1iug h LEU 256 N 0.87 0.20 -1.27 0.00 5.85 -1.07 -0.95 115.31 118.94 1iug h LEU 256 Ca 0.18 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1iug h LEU 256 Cb 0.36 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1iug h LEU 256 CO 0.01 0.39 0.28 0.11 -0.34 0.00 0.00 178.44 178.88 1iug h LYS 257 N -0.00 0.79 -0.43 1.25 1.79 -1.08 0.97 116.57 119.85 1iug h LYS 257 Ca 0.04 -0.09 -0.15 0.00 -2.18 0.00 0.00 60.65 58.27 1iug h LYS 257 Cb 0.27 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1iug h LYS 257 CO 0.00 0.60 -0.32 0.00 -1.08 0.00 0.00 179.45 178.66 1iug h ALA 258 N 1.52 0.61 -0.42 3.86 0.00 -1.10 -2.29 119.26 121.45 1iug h ALA 258 Ca 0.20 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1iug h ALA 258 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1iug h ALA 258 CO -0.03 0.67 -0.10 2.35 0.00 0.00 0.00 179.25 182.14 1iug h TRP 259 N 0.81 0.92 -0.79 0.00 7.01 -0.55 -2.15 115.95 121.18 1iug h TRP 259 Ca 0.08 -0.20 -0.03 0.00 2.11 0.00 0.00 58.89 60.85 1iug h TRP 259 Cb 0.91 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.71 1iug h TRP 259 CO 0.06 0.93 0.38 1.96 -2.79 0.00 0.00 178.44 178.98 1iug h GLN 260 N 0.64 1.15 -0.21 2.65 4.20 -0.74 -1.06 115.11 121.73 1iug h GLN 260 Ca 0.11 -0.17 -0.20 0.00 0.06 0.00 0.00 58.65 58.44 1iug h GLN 260 Cb 0.64 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1iug h GLN 260 CO 0.04 0.89 -0.66 -0.97 -0.67 0.00 0.00 178.83 177.46 1iug h ASN 261 N 1.13 0.91 0.26 1.46 -1.24 -1.40 -2.90 115.58 113.80 1iug h ASN 261 Ca 0.27 -0.54 -0.05 0.00 0.71 0.00 0.00 56.30 56.69 1iug h ASN 261 Cb 0.13 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.90 1iug h ASN 261 CO -0.03 1.33 -0.24 0.00 -1.29 0.00 0.00 177.43 177.20 1iug h ALA 262 N 0.67 1.56 -0.72 1.57 0.00 -1.22 -1.81 119.26 119.31 1iug h ALA 262 Ca -0.02 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1iug h ALA 262 Cb 1.27 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1iug h ALA 262 CO 0.14 0.30 0.19 1.25 0.00 0.00 0.00 179.25 181.13 1iug h LEU 263 N 0.00 1.08 -0.36 0.00 5.85 -1.00 -0.41 115.31 120.46 1iug h LEU 263 Ca -0.00 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 1iug h LEU 263 Cb 0.43 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1iug h LEU 263 CO 0.03 1.02 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.88 1iug h LEU 264 N 1.08 0.79 -1.03 2.25 3.38 -1.19 -2.61 115.31 117.99 1iug h LEU 264 Ca 0.23 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1iug h LEU 264 Cb 0.35 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1iug h LEU 264 CO -0.00 1.04 -0.25 1.88 0.09 0.00 0.00 178.44 181.19 1iug h TYR 265 N 0.55 0.43 -0.33 1.13 -1.99 -1.28 -2.22 116.97 113.26 1iug h TYR 265 Ca 0.08 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1iug h TYR 265 Cb 0.75 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.36 1iug h TYR 265 CO 0.06 0.61 0.15 0.78 -0.00 0.00 0.00 178.16 179.76 1iug h GLY 266 N 1.01 0.51 0.95 3.88 0.00 -0.92 -0.98 103.07 107.53 1iug h GLY 266 Ca 0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1iug h GLY 266 CO 0.05 0.25 0.09 -2.08 0.00 0.00 0.00 176.54 174.85 1iug h VAL 267 N 0.39 1.24 -0.46 4.60 2.07 -1.33 -2.43 116.25 120.33 1iug h VAL 267 Ca 0.11 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 1iug h VAL 267 Cb 0.14 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1iug h VAL 267 CO -0.01 0.29 0.08 1.23 0.02 0.00 0.00 177.57 179.18 1iug h GLY 268 N 0.56 0.83 1.06 2.17 0.00 -1.29 -2.55 103.07 103.84 1iug h GLY 268 Ca 0.13 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1iug h GLY 268 CO 0.00 0.51 0.14 0.83 0.00 0.00 0.00 176.54 178.03 1iug h GLU 269 N 0.63 1.10 0.00 4.80 5.08 -1.14 -0.50 114.58 124.56 1iug h GLU 269 Ca 0.14 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1iug h GLU 269 Cb 0.38 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1iug h GLU 269 CO 0.01 0.99 -0.15 1.05 -1.00 0.00 0.00 179.01 179.91 1iug h GLU 270 N 1.03 0.00 -0.07 2.33 4.11 -1.41 -1.66 114.58 118.91 1iug h GLU 270 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 1iug h GLU 270 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1iug h GLU 270 CO 0.01 0.15 0.00 0.41 0.07 0.00 0.00 179.01 179.64 1iug n GLY 271 N -0.19 -0.24 1.18 1.06 0.00 -0.78 -4.92 105.19 101.31 1iug n GLY 271 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 1.05 0.69 3.86 -0.02 0.00 -0.62 -5.06 105.19 105.08 1iug n GLY 272 Ca 0.17 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 3.95 -0.21 0.99 1.43 -0.27 -5.00 118.68 119.58 1iug s LEU 273 Ca 0.00 1.27 -0.06 0.00 -1.03 0.00 0.00 54.13 54.31 1iug s LEU 273 Cb 0.00 -4.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.08 1iug s LEU 273 CO 0.00 -0.30 0.03 -0.13 0.23 0.00 0.00 176.35 176.18 1iug s ARG 274 N -3.34 3.71 0.55 1.70 1.81 -1.26 -4.28 118.95 117.84 1iug s ARG 274 Ca 0.54 -0.47 -0.21 0.00 -1.72 0.00 0.00 55.73 53.87 1iug s ARG 274 Cb -0.10 -3.17 -0.05 0.00 -0.45 0.00 0.00 34.95 31.18 1iug s ARG 274 CO 0.23 0.03 1.25 -2.14 -0.68 0.00 0.00 175.30 173.98 1iug s PRO 275 N 0.99 3.20 -0.14 3.54 0.02 -1.26 -0.96 135.00 140.39 1iug s PRO 275 Ca 0.03 1.94 -0.26 0.00 0.02 0.00 0.00 61.00 62.73 1iug s PRO 275 Cb -0.14 -2.14 -0.25 0.00 0.02 0.00 0.00 34.50 31.99 1iug s PRO 275 CO 0.02 -1.06 0.67 0.28 -0.33 0.00 0.00 177.00 176.58 1iug h VAL 276 N 1.28 1.56 -3.53 3.83 2.07 -1.77 -3.45 116.25 116.25 1iug h VAL 276 Ca -0.50 -2.34 -0.47 0.00 0.82 0.00 0.00 66.70 64.21 1iug h VAL 276 Cb 1.29 3.12 0.05 0.00 -1.52 0.00 0.00 31.29 34.23 1iug h VAL 276 CO 0.57 0.57 0.14 -2.16 0.02 0.00 0.00 177.57 176.71 1iug s PRO 277 N -2.28 2.89 -0.21 1.57 0.04 -1.25 -4.64 135.00 131.12 1iug s PRO 277 Ca -0.20 -0.09 -0.04 0.00 0.04 0.00 0.00 61.00 60.70 1iug s PRO 277 Cb -0.01 -2.30 -0.20 0.00 0.04 0.00 0.00 34.50 32.03 1iug s PRO 277 CO 0.69 -0.68 0.01 1.63 0.04 0.00 0.00 177.00 178.70 1iug n LYS 278 N -2.54 0.68 -3.75 4.56 4.76 -1.17 -4.84 118.16 115.87 1iug n LYS 278 Ca 0.04 0.23 -0.36 0.00 -2.87 0.00 0.00 58.31 55.35 1iug n LYS 278 Cb 0.58 -1.60 -0.10 0.00 -1.84 0.00 0.00 35.03 32.06 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 -2.52 3.94 -0.20 1.97 1.81 -1.26 -5.07 118.95 117.60 1iug s ARG 279 Ca -0.30 -0.34 -0.15 0.00 -1.72 0.00 0.00 55.73 53.21 1iug s ARG 279 Cb 0.08 -3.44 -0.04 0.00 -0.45 0.00 0.00 34.95 31.10 1iug s ARG 279 CO 0.65 0.01 0.38 -0.06 -0.68 0.00 0.00 175.30 175.60 1iug s PHE 280 N 1.15 3.37 0.00 -0.53 0.40 -1.26 -2.22 117.98 118.89 1iug s PHE 280 Ca 0.06 0.59 -0.16 0.00 -0.60 0.00 0.00 56.93 56.82 1iug s PHE 280 Cb -0.14 -2.51 -0.06 0.00 0.51 0.00 0.00 43.02 40.83 1iug s PHE 280 CO 0.05 -0.00 0.45 0.45 0.70 0.00 0.00 175.22 176.86 1iug s SER 281 N 1.04 6.85 0.00 1.36 0.15 -0.77 -4.68 113.70 117.64 1iug s SER 281 Ca 0.18 1.01 0.21 0.00 0.70 0.00 0.00 55.95 58.05 1iug s SER 281 Cb -0.15 -2.28 1.16 0.00 -1.71 0.00 0.00 66.02 63.04 1iug s SER 281 CO 0.08 0.28 1.68 -2.65 1.20 0.00 0.00 173.24 173.82 1iug n PRO 282 N 2.02 0.44 0.16 5.44 -0.02 -1.26 -3.63 135.00 138.15 1iug n PRO 282 Ca -0.12 0.06 0.03 0.00 -2.02 0.00 0.00 63.50 61.45 1iug n PRO 282 Cb 0.52 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.65 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 3.14 0.78 -2.21 3.55 0.00 -1.90 -3.44 119.26 119.18 1iug h ALA 283 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1iug h ALA 283 Cb 0.13 -0.08 -0.17 0.00 0.00 0.00 0.00 17.79 17.67 1iug h ALA 283 CO 0.00 0.59 0.31 0.54 0.00 0.00 0.00 179.25 180.69 1iug s VAL 284 N -3.20 0.00 -0.27 0.00 0.11 -1.24 -4.51 120.40 111.29 1iug s VAL 284 Ca 0.02 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.04 1iug s VAL 284 Cb 0.09 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 1iug s VAL 284 CO 0.72 0.00 -0.01 0.00 -3.33 0.00 0.00 175.10 172.48 1iug s ALA 285 N -2.09 2.82 -0.15 1.54 0.00 0.93 -4.69 121.76 120.12 1iug s ALA 285 Ca -0.04 -1.50 -0.05 0.00 0.00 0.00 0.00 51.96 50.37 1iug s ALA 285 Cb -0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 1iug s ALA 285 CO -0.00 -0.91 0.02 0.00 0.00 0.00 0.00 175.76 174.87 1iug s ALA 286 N 1.36 3.27 0.05 0.00 0.00 -1.26 -1.42 121.76 123.77 1iug s ALA 286 Ca 0.00 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.24 1iug s ALA 286 Cb -0.17 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 1iug s ALA 286 CO -0.02 0.31 -0.16 -0.06 0.00 0.00 0.00 175.76 175.83 1iug s PHE 287 N 0.00 1.42 0.08 0.00 0.40 -0.73 -2.43 117.98 116.72 1iug s PHE 287 Ca 0.04 -0.38 -0.27 0.00 -0.60 0.00 0.00 56.93 55.72 1iug s PHE 287 Cb -0.13 -0.83 -0.06 0.00 0.51 0.00 0.00 43.02 42.52 1iug s PHE 287 CO 0.02 0.07 0.84 0.71 0.70 0.00 0.00 175.22 177.56 1iug s TYR 288 N -0.94 3.78 0.34 0.36 1.51 -0.13 -1.70 117.35 120.57 1iug s TYR 288 Ca 0.03 1.61 -0.28 0.00 -1.01 0.00 0.00 57.07 57.42 1iug s TYR 288 Cb -0.09 -2.90 -0.10 0.00 -0.11 0.00 0.00 41.96 38.76 1iug s TYR 288 CO 0.02 0.27 1.34 -0.51 -1.11 0.00 0.00 175.55 175.56 1iug s LEU 289 N -0.14 4.40 0.80 -1.29 1.43 0.10 -4.32 118.68 119.65 1iug s LEU 289 Ca 0.41 2.76 -0.12 0.00 -1.03 0.00 0.00 54.13 56.15 1iug s LEU 289 Cb -0.22 -3.67 0.08 0.00 0.03 0.00 0.00 46.19 42.41 1iug s LEU 289 CO 0.26 -0.61 1.16 -2.84 0.23 0.00 0.00 176.35 174.54 1iug s PRO 290 N -1.87 1.80 0.14 1.29 0.02 -1.26 -4.90 135.00 130.21 1iug s PRO 290 Ca 0.50 1.56 -0.31 0.00 0.02 0.00 0.00 61.00 62.77 1iug s PRO 290 Cb -0.41 -1.81 -0.11 0.00 0.02 0.00 0.00 34.50 32.19 1iug s PRO 290 CO 0.55 -2.05 1.77 -2.00 -0.33 0.00 0.00 177.00 174.93 1iug s GLU 291 N -4.36 4.14 0.00 5.54 2.56 -1.26 -2.89 118.70 122.44 1iug s GLU 291 Ca 0.69 2.56 0.00 0.00 0.00 0.00 0.00 54.97 58.22 1iug s GLU 291 Cb -0.24 -3.42 0.00 0.00 2.00 0.00 0.00 34.13 32.47 1iug s GLU 291 CO 0.51 -0.79 0.00 0.41 -0.56 0.00 0.00 175.26 174.83 1iug n GLY 292 N 4.11 2.78 3.64 -1.50 0.00 -1.26 -5.03 105.19 107.93 1iug n GLY 292 Ca 0.17 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.84 4.94 0.66 1.61 0.11 -1.14 -5.06 120.40 119.69 1iug s VAL 293 Ca 0.00 1.28 -0.14 0.00 -2.93 0.00 0.00 61.98 60.19 1iug s VAL 293 Cb 0.00 -3.99 -0.00 0.00 -1.53 0.00 0.00 36.38 30.86 1iug s VAL 293 CO 0.00 0.01 1.08 -2.84 -3.33 0.00 0.00 175.10 170.02 1iug s PRO 294 N 2.54 2.88 0.25 1.54 0.02 -1.26 -4.59 135.00 136.38 1iug s PRO 294 Ca 0.29 1.23 -0.06 0.00 0.02 0.00 0.00 61.00 62.49 1iug s PRO 294 Cb -0.15 -1.97 0.27 0.00 0.02 0.00 0.00 34.50 32.66 1iug s PRO 294 CO 0.08 -1.17 1.92 -0.92 -0.33 0.00 0.00 177.00 176.59 1iug h TYR 295 N -0.16 1.24 -0.63 6.54 3.20 -1.94 -2.23 116.97 122.99 1iug h TYR 295 Ca -0.46 0.03 0.14 0.00 3.14 0.00 0.00 58.73 61.58 1iug h TYR 295 Cb 1.23 -0.42 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 1iug h TYR 295 CO 0.57 0.76 0.43 0.00 -1.64 0.00 0.00 178.16 178.29 1iug h ALA 296 N 1.37 2.27 -0.31 1.82 0.00 -1.97 0.13 119.26 122.58 1iug h ALA 296 Ca 0.37 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 1iug h ALA 296 Cb -0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1iug h ALA 296 CO -0.09 -0.44 -0.23 -0.09 0.00 0.00 0.00 179.25 178.40 1iug h ARG 297 N 0.23 0.70 -0.24 0.00 1.12 -1.78 -0.62 114.38 113.79 1iug h ARG 297 Ca 0.30 -0.34 -0.19 0.00 -1.11 0.00 0.00 59.98 58.64 1iug h ARG 297 Cb 0.87 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.83 1iug h ARG 297 CO -0.06 0.95 -0.61 0.28 -3.11 0.00 0.00 179.97 177.42 1iug h VAL 298 N 0.45 1.28 -0.37 0.20 2.07 -1.26 -1.36 116.25 117.26 1iug h VAL 298 Ca 0.06 -1.81 0.01 0.00 0.82 0.00 0.00 66.70 65.78 1iug h VAL 298 Cb 0.79 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 1iug h VAL 298 CO 0.06 0.58 0.22 0.50 0.02 0.00 0.00 177.57 178.96 1iug h LYS 299 N 0.60 0.44 -0.01 1.57 3.11 -0.74 -2.09 116.57 119.46 1iug h LYS 299 Ca -0.00 -0.03 -0.16 0.00 -2.81 0.00 0.00 60.65 57.65 1iug h LYS 299 Cb 1.22 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 32.33 1iug h LYS 299 CO 0.13 0.29 -0.72 0.93 -2.81 0.00 0.00 179.45 177.27 1iug h GLU 300 N 0.45 0.06 -0.61 1.90 5.08 -1.07 -1.91 114.58 118.48 1iug h GLU 300 Ca 0.15 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1iug h GLU 300 Cb -0.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1iug h GLU 300 CO -0.06 0.75 0.15 0.00 -1.00 0.00 0.00 179.01 178.85 1iug h ALA 301 N 1.23 0.80 -0.18 3.43 0.00 -0.93 -1.53 119.26 122.08 1iug h ALA 301 Ca -0.01 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.45 1iug h ALA 301 Cb 1.27 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1iug h ALA 301 CO 0.10 0.51 -0.74 0.74 0.00 0.00 0.00 179.25 179.86 1iug h PHE 302 N 0.89 1.09 -0.66 0.00 -1.00 -1.36 -3.28 116.94 112.61 1iug h PHE 302 Ca 0.19 -0.47 0.05 0.00 2.81 0.00 0.00 57.97 60.56 1iug h PHE 302 Cb 0.35 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 39.69 1iug h PHE 302 CO 0.03 1.30 0.38 0.00 -1.61 0.00 0.00 178.31 178.41 1iug h ALA 303 N 0.57 0.88 0.00 2.45 0.00 -1.12 -0.26 119.26 121.78 1iug h ALA 303 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1iug h ALA 303 Cb 1.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1iug h ALA 303 CO 0.16 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1iug n GLN 304 N -4.77 0.12 0.00 0.00 10.64 -0.60 -0.61 117.38 122.17 1iug n GLN 304 Ca 0.08 0.43 0.12 0.00 -1.83 0.00 0.00 57.00 55.80 1iug n GLN 304 Cb 0.15 -1.77 0.20 0.00 -0.86 0.00 0.00 30.24 27.96 1iug n GLN 304 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1iug n ARG 305 N -2.00 1.45 -0.91 2.61 5.12 -0.19 -4.95 116.66 117.78 1iug n ARG 305 Ca 0.02 -1.08 0.00 0.00 -1.93 0.00 0.00 57.85 54.85 1iug n ARG 305 Cb 0.16 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.98 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 1.35 0.75 3.41 -0.13 0.00 0.22 -4.95 105.19 105.83 1iug n GLY 306 Ca 0.13 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.00 2.43 -0.18 4.61 0.00 -0.70 -1.60 121.76 124.32 1iug s ALA 307 Ca 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 50.54 1iug s ALA 307 Cb 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1iug s ALA 307 CO 0.00 0.55 -0.08 0.08 0.00 0.00 0.00 175.76 176.31 1iug s VAL 308 N -1.02 3.31 0.47 0.00 1.01 -0.21 -3.18 120.40 120.78 1iug s VAL 308 Ca 0.14 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1iug s VAL 308 Cb -0.10 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1iug s VAL 308 CO 0.06 0.47 0.01 0.27 0.00 0.00 0.00 175.10 175.91 1iug s ILE 309 N 0.88 1.50 0.24 2.22 -4.36 -1.26 -1.08 121.20 119.34 1iug s ILE 309 Ca -0.02 -2.00 0.11 0.00 -0.26 0.00 0.00 60.65 58.48 1iug s ILE 309 Cb -0.15 -2.50 -0.05 0.00 1.25 0.00 0.00 42.46 41.01 1iug s ILE 309 CO 0.01 0.00 -0.20 0.00 0.24 0.00 0.00 174.94 174.99 1iug s ALA 310 N -2.81 2.52 0.00 2.27 0.00 -1.06 -4.89 121.76 117.77 1iug s ALA 310 Ca 0.18 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.37 1iug s ALA 310 Cb 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1iug s ALA 310 CO 0.09 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.52 1iug n GLY 311 N -0.34 4.08 3.92 0.00 0.00 -1.26 -0.52 105.19 111.07 1iug n GLY 311 Ca -0.08 -2.11 -0.26 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.99 1.53 0.12 -0.02 0.00 -1.18 -4.70 107.32 102.08 1iug s GLY 312 Ca 0.00 -0.72 0.06 0.00 0.00 0.00 0.00 44.72 44.06 1iug s GLY 312 CO 0.00 -0.53 -0.14 1.20 0.00 0.00 0.00 173.10 173.63 1iug s GLN 313 N -4.75 1.02 7.11 2.90 -0.21 -1.26 -4.09 119.66 120.38 1iug s GLN 313 Ca 0.49 -1.24 0.00 0.00 0.02 0.00 0.00 55.36 54.63 1iug s GLN 313 Cb -0.10 -0.91 0.00 0.00 1.00 0.00 0.00 33.01 32.99 1iug s GLN 313 CO 0.43 0.18 0.00 0.41 -2.12 0.00 0.00 175.29 174.18 1iug n GLY 314 N 0.54 3.45 0.33 3.09 0.00 -1.26 -1.94 105.19 109.41 1iug n GLY 314 Ca -0.16 -0.12 0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.05 1.61 0.11 -2.03 -1.58 132.00 130.06 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 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 1iug n LEU 316 N -3.15 2.18 -4.66 2.35 4.77 -0.82 -4.83 117.00 112.83 1iug n LEU 316 Ca -0.03 -0.75 -0.43 0.00 -0.03 0.00 0.00 56.01 54.77 1iug n LEU 316 Cb 0.08 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1iug n LEU 316 CO 0.21 0.38 1.59 1.17 -1.33 0.00 0.00 177.39 179.41 1iug n LYS 317 N 0.70 2.78 -0.72 3.23 0.00 -0.60 -0.98 118.16 122.58 1iug n LYS 317 Ca 0.17 1.02 0.00 0.00 0.00 0.00 0.00 58.31 59.50 1iug n LYS 317 Cb 0.46 -2.96 0.00 0.00 0.00 0.00 0.00 35.03 32.53 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 4.53 1.56 0.01 3.14 0.00 -1.26 -4.85 105.19 108.32 1iug n GLY 318 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.00 0.54 -4.23 1.61 4.76 -0.15 -4.56 118.16 114.13 1iug n LYS 319 Ca 0.00 -0.15 -0.15 0.00 -2.87 0.00 0.00 58.31 55.15 1iug n LYS 319 Cb 0.00 -1.39 -0.09 0.00 -1.84 0.00 0.00 35.03 31.70 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 -3.12 0.00 0.04 -0.18 -7.23 -1.13 -0.72 120.40 108.07 1iug s VAL 320 Ca -0.06 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.10 1iug s VAL 320 Cb 0.10 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 1iug s VAL 320 CO 0.68 0.00 -0.01 0.72 -0.31 0.00 0.00 175.10 176.18 1iug s PHE 321 N -3.90 0.39 0.01 2.82 -0.12 -0.69 -3.13 117.98 113.37 1iug s PHE 321 Ca 0.40 -0.82 0.01 0.00 -0.05 0.00 0.00 56.93 56.46 1iug s PHE 321 Cb 0.05 -0.29 -0.01 0.00 -0.63 0.00 0.00 43.02 42.14 1iug s PHE 321 CO 0.18 -0.32 -0.03 1.03 -0.05 0.00 0.00 175.22 176.03 1iug s ARG 322 N -2.95 0.27 -0.01 1.99 0.52 0.33 -1.78 118.95 117.32 1iug s ARG 322 Ca -0.02 -0.32 0.06 0.00 -0.52 0.00 0.00 55.73 54.93 1iug s ARG 322 Cb 0.01 -0.13 -0.02 0.00 0.52 0.00 0.00 34.95 35.33 1iug s ARG 322 CO -0.06 0.03 -0.20 -0.51 0.02 0.00 0.00 175.30 174.57 1iug s LEU 323 N -0.64 2.04 -0.14 2.53 1.43 -0.50 -2.58 118.68 120.83 1iug s LEU 323 Ca -0.05 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 1iug s LEU 323 Cb -0.05 -1.05 0.05 0.00 0.03 0.00 0.00 46.19 45.18 1iug s LEU 323 CO -0.00 0.25 0.32 -0.55 0.23 0.00 0.00 176.35 176.60 1iug s SER 324 N -0.50 -0.38 -0.29 2.29 0.15 0.21 -0.05 113.70 115.14 1iug s SER 324 Ca 0.08 0.70 0.11 0.00 0.70 0.00 0.00 55.95 57.54 1iug s SER 324 Cb -0.08 0.58 0.60 0.00 -1.71 0.00 0.00 66.02 65.42 1iug s SER 324 CO -0.01 -0.18 1.60 0.18 1.20 0.00 0.00 173.24 176.04 1iug n LEU 325 N 4.23 4.92 0.31 3.45 4.77 -1.26 -4.26 117.00 129.16 1iug n LEU 325 Ca -0.24 -3.39 0.20 0.00 -0.03 0.00 0.00 56.01 52.55 1iug n LEU 325 Cb 0.54 -0.67 1.02 0.00 -2.33 0.00 0.00 43.42 41.98 1iug n LEU 325 CO 0.11 0.94 1.11 -0.03 -1.33 0.00 0.00 177.39 178.20 1iug h MET 326 N 1.71 0.00 0.00 3.23 4.05 -1.88 -3.43 114.93 118.61 1iug h MET 326 Ca 0.22 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.35 1iug h MET 326 Cb 1.93 0.00 0.14 0.00 -0.80 0.00 0.00 31.60 32.87 1iug h MET 326 CO 0.52 0.01 0.13 0.41 0.23 0.00 0.00 176.91 178.21 1iug n GLY 327 N -0.71 -2.43 3.51 1.39 0.00 -1.26 -4.74 105.19 100.95 1iug n GLY 327 Ca -0.02 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 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 -4.20 2.86 -2.45 4.61 0.00 -0.61 -4.90 120.51 115.82 1iug n ALA 328 Ca -0.15 -3.45 -0.27 0.00 0.00 0.00 0.00 53.44 49.58 1iug n ALA 328 Cb 0.42 -3.55 -0.14 0.00 0.00 0.00 0.00 19.45 16.18 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 7.28 1.90 0.33 0.00 1.51 -1.26 -4.92 117.35 122.18 1iug s TYR 329 Ca 0.60 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 56.32 1iug s TYR 329 Cb 0.03 -1.15 0.06 0.00 -0.11 0.00 0.00 41.96 40.79 1iug s TYR 329 CO 0.10 0.07 0.45 -0.40 -1.11 0.00 0.00 175.55 174.66 1iug n ASP 330 N 1.97 0.94 -0.18 2.29 3.85 -1.26 -4.92 116.55 119.24 1iug n ASP 330 Ca -0.17 -1.72 -0.01 0.00 -0.71 0.00 0.00 54.79 52.19 1iug n ASP 330 Cb 0.53 -0.26 0.08 0.00 -1.35 0.00 0.00 41.12 40.12 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 0.14 0.00 0.11 1.12 -2.00 -2.52 114.38 111.23 1iug h ARG 331 Ca -0.15 -0.01 -0.12 0.00 -1.11 0.00 0.00 59.98 58.59 1iug h ARG 331 Cb 0.64 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.55 1iug h ARG 331 CO 0.19 0.09 -0.57 1.88 -3.11 0.00 0.00 179.97 178.46 1iug h TYR 332 N 0.14 0.00 -0.06 2.20 -1.99 -1.99 -2.73 116.97 112.54 1iug h TYR 332 Ca 0.29 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.85 1iug h TYR 332 Cb 0.45 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 1iug h TYR 332 CO -0.32 0.57 -0.69 0.93 -0.00 0.00 0.00 178.16 178.65 1iug h GLU 333 N 0.00 0.28 -0.38 4.88 5.08 -1.90 -2.18 114.58 120.35 1iug h GLU 333 Ca -0.01 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1iug h GLU 333 Cb 1.43 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 1iug h GLU 333 CO 0.07 0.86 0.02 0.00 -1.00 0.00 0.00 179.01 178.96 1iug h ALA 334 N 1.08 0.51 -0.40 3.43 0.00 -1.40 -1.24 119.26 121.24 1iug h ALA 334 Ca -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1iug h ALA 334 Cb 1.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1iug h ALA 334 CO 0.11 0.26 0.25 -0.07 0.00 0.00 0.00 179.25 179.79 1iug h LEU 335 N 0.48 0.46 -0.54 0.00 3.38 -1.35 -0.19 115.31 117.56 1iug h LEU 335 Ca 0.11 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1iug h LEU 335 Cb 0.43 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1iug h LEU 335 CO 0.02 0.35 -0.17 1.23 0.09 0.00 0.00 178.44 179.95 1iug h GLY 336 N 0.57 1.08 1.21 0.83 0.00 -0.79 -2.27 103.07 103.71 1iug h GLY 336 Ca 0.14 -0.92 -0.08 0.00 0.00 0.00 0.00 47.33 46.47 1iug h GLY 336 CO -0.03 0.84 0.05 -2.08 0.00 0.00 0.00 176.54 175.33 1iug h VAL 337 N 0.87 1.25 -0.91 4.60 2.07 -0.12 -1.84 116.25 122.18 1iug h VAL 337 Ca 0.12 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1iug h VAL 337 Cb 0.75 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1iug h VAL 337 CO 0.06 0.38 0.60 0.00 0.02 0.00 0.00 177.57 178.63 1iug h ALA 338 N 1.15 1.36 -0.44 1.67 0.00 -0.83 0.13 119.26 122.29 1iug h ALA 338 Ca 0.18 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1iug h ALA 338 Cb 0.45 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1iug h ALA 338 CO 0.02 0.59 -0.21 0.78 0.00 0.00 0.00 179.25 180.42 1iug h GLY 339 N 1.22 0.97 1.17 0.00 0.00 -0.90 -0.84 103.07 104.69 1iug h GLY 339 Ca 0.33 -0.85 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 1iug h GLY 339 CO -0.07 0.77 0.09 1.98 0.00 0.00 0.00 176.54 179.31 1iug h MET 340 N 0.78 1.02 -0.64 4.80 -1.53 -0.52 -1.47 114.93 117.36 1iug h MET 340 Ca 0.10 -0.26 -0.08 0.00 -3.44 0.00 0.00 59.70 56.02 1iug h MET 340 Cb 0.76 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.67 1iug h MET 340 CO 0.06 0.94 0.08 0.35 0.14 0.00 0.00 176.91 178.48 1iug h PHE 341 N 0.95 1.15 -0.00 1.39 3.57 -0.52 -1.74 116.94 121.74 1iug h PHE 341 Ca 0.19 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1iug h PHE 341 Cb 0.43 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1iug h PHE 341 CO 0.03 0.98 -0.12 0.00 -2.23 0.00 0.00 178.31 176.97 1iug h ARG 342 N 0.98 -0.19 -0.82 1.11 2.47 -0.64 -1.70 114.38 115.60 1iug h ARG 342 Ca 0.19 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.98 1iug h ARG 342 Cb 0.47 0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.78 1iug h ARG 342 CO 0.02 -0.13 0.51 0.93 0.56 0.00 0.00 179.97 181.85 1iug h GLU 343 N -0.20 0.91 -0.40 0.04 5.08 -1.05 -1.35 114.58 117.61 1iug h GLU 343 Ca 0.04 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1iug h GLU 343 Cb 0.26 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1iug h GLU 343 CO -0.12 0.60 -0.02 0.28 -1.00 0.00 0.00 179.01 178.76 1iug h VAL 344 N 0.94 1.22 -0.37 3.13 2.07 -1.01 -2.49 116.25 119.74 1iug h VAL 344 Ca 0.35 -0.92 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 1iug h VAL 344 Cb 0.13 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1iug h VAL 344 CO -0.16 0.32 -0.12 -0.07 0.02 0.00 0.00 177.57 177.56 1iug h LEU 345 N 0.61 0.76 -1.78 2.57 4.07 -0.51 -1.87 115.31 119.15 1iug h LEU 345 Ca 0.12 -0.38 -0.02 0.00 0.08 0.00 0.00 57.88 57.68 1iug h LEU 345 Cb 0.41 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 1iug h LEU 345 CO 0.02 0.97 -0.12 -0.33 -1.08 0.00 0.00 178.44 177.89 1iug h GLU 346 N 0.54 0.00 0.06 1.13 5.08 -1.06 -2.53 114.58 117.80 1iug h GLU 346 Ca 0.09 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.24 1iug h GLU 346 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1iug h GLU 346 CO 0.04 0.12 -1.11 1.49 -1.00 0.00 0.00 179.01 178.56 1iug h GLU 347 N 0.00 0.13 0.00 2.33 4.81 -1.26 -3.37 114.58 117.21 1iug h GLU 347 Ca -0.00 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1iug h GLU 347 Cb 0.41 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1iug h GLU 347 CO 0.02 1.10 0.00 0.44 -0.73 0.00 0.00 179.01 179.84 1iug n ILE 348 N -4.20 0.60 0.50 2.32 -5.35 -0.72 -5.12 119.36 107.39 1iug n ILE 348 Ca -0.24 -0.03 0.06 0.00 -0.27 0.00 0.00 62.75 62.27 1iug n ILE 348 Cb 0.76 -0.78 0.05 0.00 -1.74 0.00 0.00 39.64 37.93 1iug n ILE 348 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97