#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iuh s ARG 2 N 0.00 3.36 0.21 0.03 3.52 -1.25 0.65 118.95 125.47 1iuh s ARG 2 Ca 0.00 -0.56 0.11 0.00 -0.13 0.00 0.00 55.73 55.15 1iuh s ARG 2 Cb 0.00 -3.88 -0.05 0.00 -1.56 0.00 0.00 34.95 29.47 1iuh s ARG 2 CO 0.00 -0.67 -0.22 -0.51 -0.81 0.00 0.00 175.30 173.08 1iuh s LEU 3 N 2.08 2.51 0.05 -0.88 1.43 -0.46 -1.44 118.68 121.97 1iuh s LEU 3 Ca 0.12 -0.88 -0.21 0.00 -1.03 0.00 0.00 54.13 52.13 1iuh s LEU 3 Cb -0.17 -1.19 0.05 0.00 0.03 0.00 0.00 46.19 44.91 1iuh s LEU 3 CO 0.13 0.10 0.49 0.72 0.23 0.00 0.00 176.35 178.02 1iuh s PHE 4 N -1.83 -0.39 -0.10 0.29 -0.12 -0.88 -0.05 117.98 114.91 1iuh s PHE 4 Ca 0.23 0.40 -0.09 0.00 -0.05 0.00 0.00 56.93 57.43 1iuh s PHE 4 Cb -0.07 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.59 1iuh s PHE 4 CO 0.11 -0.63 0.19 0.71 -0.05 0.00 0.00 175.22 175.56 1iuh s TYR 5 N -2.49 3.62 0.20 3.49 1.51 -0.04 -1.52 117.35 122.13 1iuh s TYR 5 Ca -0.05 0.62 -0.15 0.00 -1.01 0.00 0.00 57.07 56.48 1iuh s TYR 5 Cb -0.01 -2.01 0.01 0.00 -0.11 0.00 0.00 41.96 39.85 1iuh s TYR 5 CO -0.02 0.72 0.48 0.00 -1.11 0.00 0.00 175.55 175.61 1iuh s ALA 6 N -1.03 -0.63 -0.19 3.71 0.00 -0.46 0.16 121.76 123.32 1iuh s ALA 6 Ca 0.17 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.61 1iuh s ALA 6 Cb -0.13 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 1iuh s ALA 6 CO 0.06 -0.79 -0.04 0.08 0.00 0.00 0.00 175.76 175.06 1iuh s VAL 7 N -3.92 3.58 0.48 0.00 1.01 0.49 -0.73 120.40 121.31 1iuh s VAL 7 Ca 0.13 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 1iuh s VAL 7 Cb -0.00 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 1iuh s VAL 7 CO 0.00 0.45 0.72 -0.36 0.00 0.00 0.00 175.10 175.92 1iuh s PHE 8 N 0.94 3.26 0.19 5.22 0.40 -1.26 -1.79 117.98 124.93 1iuh s PHE 8 Ca -0.00 0.35 0.10 0.00 -0.60 0.00 0.00 56.93 56.78 1iuh s PHE 8 Cb -0.15 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 1iuh s PHE 8 CO 0.01 -0.43 -0.16 -0.51 0.70 0.00 0.00 175.22 174.82 1iuh s LEU 9 N -4.65 2.72 0.64 -0.37 1.43 -1.26 -4.98 118.68 112.21 1iuh s LEU 9 Ca 0.49 -0.71 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 1iuh s LEU 9 Cb -0.10 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.70 1iuh s LEU 9 CO 0.40 0.11 0.99 -2.16 0.23 0.00 0.00 176.35 175.92 1iuh s PRO 10 N -2.75 2.98 0.21 1.29 0.04 -1.26 -4.79 135.00 130.71 1iuh s PRO 10 Ca 0.23 0.26 -0.21 0.00 0.04 0.00 0.00 61.00 61.32 1iuh s PRO 10 Cb -0.08 -2.16 0.15 0.00 0.04 0.00 0.00 34.50 32.45 1iuh s PRO 10 CO 0.13 -0.81 1.55 1.49 0.04 0.00 0.00 177.00 179.40 1iuh h GLU 11 N -0.37 -0.01 0.00 4.56 4.81 -2.00 -0.70 114.58 120.87 1iuh h GLU 11 Ca -0.45 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1iuh h GLU 11 Cb 1.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1iuh h GLU 11 CO 0.62 -0.01 -0.12 0.93 -0.73 0.00 0.00 179.01 179.71 1iuh h GLU 12 N -0.01 0.00 0.03 1.92 3.07 -1.99 0.55 114.58 118.15 1iuh h GLU 12 Ca 0.29 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.00 1iuh h GLU 12 Cb 0.55 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1iuh h GLU 12 CO -0.96 0.12 -0.59 0.28 -1.40 0.00 0.00 179.01 176.45 1iuh h VAL 13 N 0.00 1.46 -0.46 3.13 2.07 -1.56 -2.58 116.25 118.31 1iuh h VAL 13 Ca -0.00 -2.16 -0.07 0.00 0.82 0.00 0.00 66.70 65.28 1iuh h VAL 13 Cb 0.27 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1iuh h VAL 13 CO 0.02 0.62 -0.01 0.03 0.02 0.00 0.00 177.57 178.24 1iuh h ARG 14 N -0.22 0.77 -0.37 1.57 3.08 -0.69 -2.13 114.38 116.39 1iuh h ARG 14 Ca -0.08 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 59.66 1iuh h ARG 14 Cb 1.34 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 1iuh h ARG 14 CO 0.12 0.79 -0.16 0.00 -1.07 0.00 0.00 179.97 179.65 1iuh h ALA 15 N 1.27 1.03 -0.39 0.04 0.00 -0.94 0.25 119.26 120.51 1iuh h ALA 15 Ca 0.14 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1iuh h ALA 15 Cb 0.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1iuh h ALA 15 CO 0.02 0.58 -0.15 0.00 0.00 0.00 0.00 179.25 179.70 1iuh h ALA 16 N 1.22 1.00 -0.07 0.00 0.00 -1.08 -0.88 119.26 119.45 1iuh h ALA 16 Ca 0.10 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 1iuh h ALA 16 Cb 0.61 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1iuh h ALA 16 CO 0.04 0.59 -0.80 -0.07 0.00 0.00 0.00 179.25 179.02 1iuh h LEU 17 N 0.64 0.56 -0.93 0.00 4.07 -1.16 -2.45 115.31 116.04 1iuh h LEU 17 Ca 0.10 -0.39 -0.10 0.00 0.08 0.00 0.00 57.88 57.58 1iuh h LEU 17 Cb 0.62 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 1iuh h LEU 17 CO 0.04 1.15 -0.47 0.58 -1.08 0.00 0.00 178.44 178.66 1iuh h VAL 18 N 0.30 1.16 0.00 1.22 2.07 -0.23 -0.35 116.25 120.42 1iuh h VAL 18 Ca -0.05 -1.71 -0.14 0.00 0.82 0.00 0.00 66.70 65.62 1iuh h VAL 18 Cb 1.40 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 1iuh h VAL 18 CO 0.14 0.46 -0.67 -0.33 0.02 0.00 0.00 177.57 177.19 1iuh h GLU 19 N 0.00 0.00 -0.02 1.57 5.08 -1.06 -3.10 114.58 117.05 1iuh h GLU 19 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1iuh h GLU 19 Cb 0.93 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 1iuh h GLU 19 CO 0.06 0.67 0.00 0.00 -1.00 0.00 0.00 179.01 178.74 1iuh h ALA 20 N 1.33 0.02 -0.46 3.43 0.00 -0.91 -2.48 119.26 120.20 1iuh h ALA 20 Ca -0.01 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.89 1iuh h ALA 20 Cb 1.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1iuh h ALA 20 CO 0.09 -0.33 0.58 1.96 0.00 0.00 0.00 179.25 181.55 1iuh h GLN 21 N -0.26 0.00 -0.78 0.00 4.20 -1.01 -0.39 115.11 116.88 1iuh h GLN 21 Ca 0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 1iuh h GLN 21 Cb 0.30 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 1iuh h GLN 21 CO 0.00 0.00 0.51 1.15 -0.67 0.00 0.00 178.83 179.82 1iuh h THR 22 N 0.00 0.91 0.00 -0.54 2.02 -1.41 0.19 112.91 114.08 1iuh h THR 22 Ca 0.22 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1iuh h THR 22 Cb 1.38 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1iuh h THR 22 CO -0.00 0.12 0.00 0.29 0.37 0.00 0.00 175.52 176.30 1iuh n LYS 23 N -4.51 0.27 0.00 6.66 4.76 -0.16 -2.63 118.16 122.56 1iuh n LYS 23 Ca 0.13 0.09 0.01 0.00 -2.87 0.00 0.00 58.31 55.68 1iuh n LYS 23 Cb 0.37 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.07 1iuh n LYS 23 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1iuh n VAL 24 N -1.15 0.00 0.17 -0.18 3.14 0.05 -4.61 118.33 115.75 1iuh n VAL 24 Ca 0.07 -0.49 0.03 0.00 -2.96 0.00 0.00 64.34 60.99 1iuh n VAL 24 Cb 0.07 1.06 0.42 0.00 -1.06 0.00 0.00 33.84 34.32 1iuh n VAL 24 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1iuh h ARG 25 N 0.52 0.10 0.00 1.45 2.43 -1.54 -2.00 114.38 115.33 1iuh h ARG 25 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1iuh h ARG 25 Cb 0.12 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1iuh h ARG 25 CO 0.00 0.31 0.00 -1.35 -1.51 0.00 0.00 179.97 177.42 1iuh h PRO 26 N 0.10 0.00 -4.21 0.20 0.11 -1.81 -3.39 132.00 122.99 1iuh h PRO 26 Ca 0.02 0.00 -0.72 0.00 0.11 0.00 0.00 66.00 65.40 1iuh h PRO 26 Cb 0.42 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.23 1iuh h PRO 26 CO 0.03 0.00 -0.38 -0.06 -0.21 0.00 0.00 178.00 177.38 1iuh s PHE 27 N -3.59 3.47 -0.17 0.65 0.40 -0.75 -4.93 117.98 113.06 1iuh s PHE 27 Ca 0.01 -2.04 0.22 0.00 -0.60 0.00 0.00 56.93 54.51 1iuh s PHE 27 Cb 0.09 -3.45 1.19 0.00 0.51 0.00 0.00 43.02 41.36 1iuh s PHE 27 CO 0.40 -0.98 1.67 2.89 0.70 0.00 0.00 175.22 179.91 1iuh n ARG 28 N 4.66 0.14 0.03 0.44 1.85 -1.26 -0.66 116.66 121.86 1iuh n ARG 28 Ca -0.04 0.64 0.11 0.00 -1.00 0.00 0.00 57.85 57.56 1iuh n ARG 28 Cb 0.41 -1.98 0.44 0.00 -1.05 0.00 0.00 32.46 30.29 1iuh n ARG 28 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1iuh n GLY 29 N -1.29 -1.27 3.70 2.89 0.00 -1.25 -4.71 105.19 103.25 1iuh n GLY 29 Ca -0.01 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1iuh n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1iuh s TRP 30 N -3.06 3.39 -0.34 1.61 0.52 0.17 -1.57 118.94 119.66 1iuh s TRP 30 Ca 0.09 0.47 -0.10 0.00 0.02 0.00 0.00 56.10 56.59 1iuh s TRP 30 Cb 0.13 -2.35 0.02 0.00 -1.15 0.00 0.00 33.47 30.12 1iuh s TRP 30 CO 0.40 0.14 0.17 0.21 0.02 0.00 0.00 176.95 177.89 1iuh s LYS 31 N 0.82 2.99 0.22 4.98 2.47 0.99 -4.91 119.74 127.30 1iuh s LYS 31 Ca 0.14 -0.96 -0.27 0.00 -1.56 0.00 0.00 55.97 53.32 1iuh s LYS 31 Cb -0.13 -3.62 -0.09 0.00 -1.46 0.00 0.00 37.83 32.53 1iuh s LYS 31 CO 0.04 -0.58 0.85 -1.25 0.16 0.00 0.00 175.35 174.57 1iuh s PRO 32 N 1.55 4.65 0.09 4.03 0.04 -1.26 -0.29 135.00 143.81 1iuh s PRO 32 Ca 0.02 1.27 -0.31 0.00 0.04 0.00 0.00 61.00 62.03 1iuh s PRO 32 Cb -0.18 -3.18 -0.07 0.00 0.04 0.00 0.00 34.50 31.11 1iuh s PRO 32 CO 0.06 0.51 1.28 0.08 0.04 0.00 0.00 177.00 178.96 1iuh s VAL 33 N -1.24 3.69 0.31 -0.36 1.01 -0.97 -4.96 120.40 117.87 1iuh s VAL 33 Ca 0.40 1.23 -0.29 0.00 0.00 0.00 0.00 61.98 63.31 1iuh s VAL 33 Cb -0.23 -3.79 -0.12 0.00 0.00 0.00 0.00 36.38 32.24 1iuh s VAL 33 CO 0.28 0.10 1.46 -2.65 0.00 0.00 0.00 175.10 174.29 1iuh n PRO 34 N 3.80 2.41 -0.29 2.72 -0.02 -1.26 -4.84 135.00 137.52 1iuh n PRO 34 Ca 0.10 0.85 0.07 0.00 -2.02 0.00 0.00 63.50 62.50 1iuh n PRO 34 Cb 0.45 -2.55 0.22 0.00 -0.02 0.00 0.00 33.50 31.60 1iuh n PRO 34 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1iuh h PRO 35 N 3.78 0.61 0.00 0.52 0.13 -1.97 0.20 132.00 135.27 1iuh h PRO 35 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1iuh h PRO 35 Cb 1.25 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1iuh h PRO 35 CO 0.72 0.40 0.00 -2.39 -0.23 0.00 0.00 178.00 176.50 1iuh n HIS 36 N -4.86 0.29 0.65 1.56 1.44 -1.26 -1.46 115.22 111.59 1iuh n HIS 36 Ca 0.17 0.13 0.07 0.00 -2.01 0.00 0.00 57.72 56.08 1iuh n HIS 36 Cb 0.43 -0.71 -0.04 0.00 0.12 0.00 0.00 29.99 29.79 1iuh n HIS 36 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1iuh n GLN 37 N -1.78 2.07 -1.70 -1.40 6.02 0.65 -4.97 117.38 116.27 1iuh n GLN 37 Ca 0.01 -0.40 -0.43 0.00 -0.01 0.00 0.00 57.00 56.17 1iuh n GLN 37 Cb 0.12 -1.20 -0.02 0.00 1.02 0.00 0.00 30.24 30.16 1iuh n GLN 37 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1iuh n LEU 38 N -0.71 3.62 -3.58 1.08 4.77 -0.53 -4.93 117.00 116.71 1iuh n LEU 38 Ca 0.04 1.15 -0.05 0.00 -0.03 0.00 0.00 56.01 57.13 1iuh n LEU 38 Cb 0.27 -1.50 -0.02 0.00 -2.33 0.00 0.00 43.42 39.84 1iuh n LEU 38 CO 0.23 -0.25 0.87 -1.38 -1.33 0.00 0.00 177.39 175.53 1iuh s HIS 39 N -0.15 -0.19 -0.23 -1.77 -3.43 -1.26 -4.46 115.29 103.79 1iuh s HIS 39 Ca 0.65 0.08 -0.03 0.00 -0.80 0.00 0.00 55.06 54.96 1iuh s HIS 39 Cb -0.58 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.11 1iuh s HIS 39 CO 0.51 -0.40 -0.05 -1.17 -2.00 0.00 0.00 174.74 171.62 1iuh s LEU 40 N -2.48 2.97 -0.02 5.38 0.20 -0.74 -4.18 118.68 119.81 1iuh s LEU 40 Ca 0.09 -0.56 -0.30 0.00 0.69 0.00 0.00 54.13 54.05 1iuh s LEU 40 Cb -0.00 -1.71 -0.03 0.00 -0.43 0.00 0.00 46.19 44.02 1iuh s LEU 40 CO -0.05 -0.06 1.00 -0.89 -0.29 0.00 0.00 176.35 176.06 1iuh s THR 41 N 1.42 4.80 -0.10 3.68 2.01 -1.26 -0.38 115.64 125.81 1iuh s THR 41 Ca 0.04 2.02 0.16 0.00 0.31 0.00 0.00 61.69 64.22 1iuh s THR 41 Cb -0.15 -4.29 -0.19 0.00 0.01 0.00 0.00 72.50 67.87 1iuh s THR 41 CO -0.04 0.12 0.65 0.18 -0.69 0.00 0.00 174.62 174.84 1iuh n LEU 42 N 4.16 0.71 -3.42 4.42 4.77 0.12 -4.90 117.00 122.85 1iuh n LEU 42 Ca 0.07 0.32 0.01 0.00 -0.03 0.00 0.00 56.01 56.38 1iuh n LEU 42 Cb 0.50 0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1iuh n LEU 42 CO 0.52 0.26 0.45 -0.22 -1.33 0.00 0.00 177.39 177.07 1iuh s LEU 43 N -5.78 -0.84 -0.02 2.23 2.96 -1.17 -4.65 118.68 111.42 1iuh s LEU 43 Ca -0.05 0.99 -0.21 0.00 -0.22 0.00 0.00 54.13 54.64 1iuh s LEU 43 Cb 0.08 1.89 -0.05 0.00 0.50 0.00 0.00 46.19 48.61 1iuh s LEU 43 CO 0.82 -0.16 0.62 0.12 -1.32 0.00 0.00 176.35 176.43 1iuh s PHE 44 N 2.69 3.66 -0.43 5.38 5.36 -1.26 -0.86 117.98 132.52 1iuh s PHE 44 Ca -0.01 1.21 0.17 0.00 -0.96 0.00 0.00 56.93 57.34 1iuh s PHE 44 Cb -0.09 -2.66 -0.22 0.00 -0.34 0.00 0.00 43.02 39.71 1iuh s PHE 44 CO -0.18 0.29 0.55 1.28 -1.46 0.00 0.00 175.22 175.70 1iuh n LEU 45 N 2.97 0.42 0.00 6.12 4.77 0.93 -4.86 117.00 127.35 1iuh n LEU 45 Ca -0.06 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1iuh n LEU 45 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1iuh n LEU 45 CO 0.44 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1iuh n GLY 46 N 1.46 -0.23 3.64 -0.72 0.00 -1.16 -4.68 105.19 103.50 1iuh n GLY 46 Ca 0.00 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 1iuh n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iuh s GLU 47 N 0.00 4.12 -0.00 1.61 0.41 -1.26 -1.35 118.70 122.22 1iuh s GLU 47 Ca 0.00 0.90 0.07 0.00 -0.41 0.00 0.00 54.97 55.53 1iuh s GLU 47 Cb 0.00 -3.68 -0.02 0.00 -1.78 0.00 0.00 34.13 28.65 1iuh s GLU 47 CO 0.00 -0.62 -0.21 1.03 -0.49 0.00 0.00 175.26 174.98 1iuh s ARG 48 N 3.00 1.64 0.29 1.61 1.81 0.21 -4.95 118.95 122.56 1iuh s ARG 48 Ca 0.36 -0.79 -0.29 0.00 -1.72 0.00 0.00 55.73 53.29 1iuh s ARG 48 Cb -0.15 -1.62 -0.10 0.00 -0.45 0.00 0.00 34.95 32.64 1iuh s ARG 48 CO 0.09 0.44 1.20 -1.25 -0.68 0.00 0.00 175.30 175.11 1iuh s PRO 49 N -0.62 4.50 0.52 3.54 0.04 -1.26 -1.77 135.00 139.94 1iuh s PRO 49 Ca 0.08 1.99 0.36 0.00 0.04 0.00 0.00 61.00 63.48 1iuh s PRO 49 Cb -0.08 -3.14 1.52 0.00 0.04 0.00 0.00 34.50 32.83 1iuh s PRO 49 CO -0.00 0.00 1.74 0.93 0.04 0.00 0.00 177.00 179.71 1iuh h GLU 50 N 3.83 0.06 0.00 4.56 5.08 -2.00 0.20 114.58 126.31 1iuh h GLU 50 Ca -0.47 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1iuh h GLU 50 Cb 1.22 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1iuh h GLU 50 CO 0.67 0.04 -0.00 1.49 -1.00 0.00 0.00 179.01 180.21 1iuh h GLU 51 N 0.06 0.00 0.00 2.33 4.22 -2.04 -2.25 114.58 116.89 1iuh h GLU 51 Ca 0.67 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.11 1iuh h GLU 51 Cb 2.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.74 1iuh h GLU 51 CO -0.09 0.00 -0.50 0.39 -2.18 0.00 0.00 179.01 176.63 1iuh n GLU 52 N -3.29 0.03 -0.32 1.92 1.02 0.71 -4.50 120.64 116.21 1iuh n GLU 52 Ca -0.03 0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 57.08 1iuh n GLU 52 Cb 0.07 -1.52 0.01 0.00 -0.02 0.00 0.00 31.44 29.98 1iuh n GLU 52 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1iuh h LEU 53 N 0.00 -1.47 -0.93 -4.62 4.07 -1.55 -0.80 115.31 110.01 1iuh h LEU 53 Ca 0.00 0.29 0.16 0.00 0.08 0.00 0.00 57.88 58.41 1iuh h LEU 53 Cb 0.52 0.73 -0.10 0.00 1.08 0.00 0.00 40.66 42.90 1iuh h LEU 53 CO 0.00 -0.29 0.52 -0.65 -1.08 0.00 0.00 178.44 176.94 1iuh h PRO 54 N -0.07 0.68 -0.17 1.13 0.11 -1.82 0.96 132.00 132.82 1iuh h PRO 54 Ca 0.28 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.31 1iuh h PRO 54 Cb 0.56 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1iuh h PRO 54 CO -0.87 0.45 -0.02 -0.44 -0.21 0.00 0.00 178.00 176.91 1iuh h ASP 55 N 0.70 0.32 -0.24 -2.05 3.32 -1.48 0.43 116.42 117.41 1iuh h ASP 55 Ca 0.52 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1iuh h ASP 55 Cb 0.76 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 1iuh h ASP 55 CO -0.37 0.59 0.05 1.88 -1.72 0.00 0.00 179.24 179.66 1iuh h TYR 56 N 0.04 0.51 -0.26 4.55 0.99 -0.56 -0.34 116.97 121.90 1iuh h TYR 56 Ca 0.05 -0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.70 1iuh h TYR 56 Cb 0.44 -0.15 -0.01 0.00 1.00 0.00 0.00 36.73 38.00 1iuh h TYR 56 CO 0.04 0.47 0.01 -0.07 -0.00 0.00 0.00 178.16 178.61 1iuh h LEU 57 N 0.49 0.44 -0.62 3.88 3.38 -0.54 -1.45 115.31 120.89 1iuh h LEU 57 Ca 0.11 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 1iuh h LEU 57 Cb 0.24 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1iuh h LEU 57 CO 0.00 0.63 -0.04 0.00 0.09 0.00 0.00 178.44 179.12 1iuh h ALA 58 N 0.82 0.83 -0.89 1.53 0.00 0.12 -1.22 119.26 120.45 1iuh h ALA 58 Ca 0.07 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1iuh h ALA 58 Cb 0.40 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1iuh h ALA 58 CO 0.01 0.67 0.57 1.25 0.00 0.00 0.00 179.25 181.75 1iuh h LEU 59 N 0.95 0.94 -0.17 0.00 5.85 -0.98 0.27 115.31 122.17 1iuh h LEU 59 Ca 0.16 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1iuh h LEU 59 Cb 0.60 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1iuh h LEU 59 CO 0.04 0.63 0.04 1.23 -0.34 0.00 0.00 178.44 180.04 1iuh h GLY 60 N 1.09 0.29 1.01 3.75 0.00 -0.46 -1.29 103.07 107.46 1iuh h GLY 60 Ca 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1iuh h GLY 60 CO -0.13 0.17 0.46 0.45 0.00 0.00 0.00 176.54 177.48 1iuh h HIS 61 N 0.08 1.04 0.44 5.60 3.86 -0.69 0.13 115.15 125.61 1iuh h HIS 61 Ca 0.05 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1iuh h HIS 61 Cb 0.26 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 1iuh h HIS 61 CO 0.01 0.71 -0.25 0.00 0.86 0.00 0.00 177.93 179.26 1iuh h ARG 62 N 1.07 -0.62 -0.63 2.45 3.08 -0.22 -2.22 114.38 117.29 1iuh h ARG 62 Ca 0.28 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.39 1iuh h ARG 62 Cb -0.01 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1iuh h ARG 62 CO -0.05 -0.42 0.40 -0.07 -1.07 0.00 0.00 179.97 178.76 1iuh h LEU 63 N -0.65 0.67 -0.94 3.04 3.38 -1.07 -2.61 115.31 117.13 1iuh h LEU 63 Ca -0.05 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.04 1iuh h LEU 63 Cb 0.52 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.03 1iuh h LEU 63 CO 0.07 0.47 0.56 0.00 0.09 0.00 0.00 178.44 179.63 1iuh h ALA 64 N 1.26 1.42 0.00 1.53 0.00 -0.52 -1.68 119.26 121.26 1iuh h ALA 64 Ca 0.25 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1iuh h ALA 64 Cb -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1iuh h ALA 64 CO -0.08 0.11 0.00 2.89 0.00 0.00 0.00 179.25 182.17 1iuh n ARG 65 N -4.71 0.24 0.04 0.00 1.85 -0.85 -1.54 116.66 111.69 1iuh n ARG 65 Ca 0.18 0.25 0.04 0.00 -1.00 0.00 0.00 57.85 57.33 1iuh n ARG 65 Cb 0.38 -1.81 -0.07 0.00 -1.05 0.00 0.00 32.46 29.91 1iuh n ARG 65 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1iuh n LEU 66 N -2.23 0.69 -4.44 2.89 4.77 -0.66 -3.03 117.00 114.99 1iuh n LEU 66 Ca 0.05 0.29 -0.32 0.00 -0.03 0.00 0.00 56.01 56.00 1iuh n LEU 66 Cb 0.38 0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 1iuh n LEU 66 CO 0.28 0.04 -0.48 -1.61 -1.33 0.00 0.00 177.39 174.29 1iuh s GLU 67 N -3.11 2.36 0.49 3.23 0.41 -1.02 -4.02 118.70 117.04 1iuh s GLU 67 Ca -0.03 -0.78 -0.09 0.00 -0.41 0.00 0.00 54.97 53.65 1iuh s GLU 67 Cb 0.09 -2.29 -0.05 0.00 -1.78 0.00 0.00 34.13 30.11 1iuh s GLU 67 CO 0.82 0.60 0.85 0.00 -0.49 0.00 0.00 175.26 177.03 1iuh s ALA 68 N -0.74 3.29 0.48 5.21 0.00 -1.23 -0.47 121.76 128.30 1iuh s ALA 68 Ca 0.12 -0.26 -0.24 0.00 0.00 0.00 0.00 51.96 51.58 1iuh s ALA 68 Cb -0.10 -2.77 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 1iuh s ALA 68 CO 0.01 -0.29 1.32 -2.30 0.00 0.00 0.00 175.76 174.50 1iuh n PRO 69 N -1.98 1.89 -4.10 0.00 -0.02 -1.26 -4.90 135.00 124.63 1iuh n PRO 69 Ca 0.03 0.68 -0.08 0.00 -2.02 0.00 0.00 63.50 62.11 1iuh n PRO 69 Cb 0.54 -2.50 -0.10 0.00 -0.02 0.00 0.00 33.50 31.43 1iuh n PRO 69 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1iuh s PHE 70 N -1.24 0.58 0.05 6.00 -0.12 -0.74 -4.95 117.98 117.55 1iuh s PHE 70 Ca 0.65 -0.99 -0.19 0.00 -0.05 0.00 0.00 56.93 56.35 1iuh s PHE 70 Cb -0.46 -0.40 -0.06 0.00 -0.63 0.00 0.00 43.02 41.47 1iuh s PHE 70 CO 0.55 -0.32 0.57 1.03 -0.05 0.00 0.00 175.22 177.00 1iuh s ARG 71 N -3.69 4.22 0.26 1.99 3.00 -1.26 -0.10 118.95 123.37 1iuh s ARG 71 Ca 0.06 0.72 0.11 0.00 0.00 0.00 0.00 55.73 56.62 1iuh s ARG 71 Cb 0.06 -3.27 -0.05 0.00 0.00 0.00 0.00 34.95 31.70 1iuh s ARG 71 CO -0.08 0.57 -0.16 0.00 0.00 0.00 0.00 175.30 175.63 1iuh s ALA 72 N -0.87 2.81 -0.04 2.13 0.00 0.02 -4.79 121.76 121.02 1iuh s ALA 72 Ca 0.29 -1.77 0.04 0.00 0.00 0.00 0.00 51.96 50.52 1iuh s ALA 72 Cb -0.19 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.52 1iuh s ALA 72 CO 0.18 0.32 -0.14 0.50 0.00 0.00 0.00 175.76 176.62 1iuh s ARG 73 N -3.35 1.45 -0.00 0.00 3.52 -1.03 -0.27 118.95 119.26 1iuh s ARG 73 Ca 0.28 -0.49 -0.20 0.00 -0.13 0.00 0.00 55.73 55.19 1iuh s ARG 73 Cb -0.06 -1.29 -0.05 0.00 -1.56 0.00 0.00 34.95 31.99 1iuh s ARG 73 CO 0.15 0.20 0.58 -1.17 -0.81 0.00 0.00 175.30 174.25 1iuh s LEU 74 N 0.08 4.42 -0.38 -0.88 2.96 0.24 -1.03 118.68 124.09 1iuh s LEU 74 Ca -0.03 1.15 0.05 0.00 -0.22 0.00 0.00 54.13 55.07 1iuh s LEU 74 Cb -0.10 -2.90 0.16 0.00 0.50 0.00 0.00 46.19 43.85 1iuh s LEU 74 CO 0.01 0.12 0.46 -0.60 -1.32 0.00 0.00 176.35 175.03 1iuh s ARG 75 N -0.25 0.69 0.00 1.98 3.52 0.15 -2.51 118.95 122.52 1iuh s ARG 75 Ca 0.30 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 55.31 1iuh s ARG 75 Cb -0.18 -0.42 0.00 0.00 -1.56 0.00 0.00 34.95 32.79 1iuh s ARG 75 CO 0.17 -1.18 0.00 0.41 -0.81 0.00 0.00 175.30 173.89 1iuh n GLY 76 N 4.38 -2.22 3.70 8.12 0.00 -1.24 -4.32 105.19 113.61 1iuh n GLY 76 Ca 0.10 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 1iuh n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iuh s THR 77 N -2.54 1.81 0.25 2.61 -4.23 -1.13 -0.60 115.64 111.81 1iuh s THR 77 Ca 0.00 -1.90 -0.21 0.00 -1.18 0.00 0.00 61.69 58.40 1iuh s THR 77 Cb 0.00 -2.72 0.06 0.00 1.34 0.00 0.00 72.50 71.18 1iuh s THR 77 CO 0.00 0.00 0.92 -0.83 -0.54 0.00 0.00 174.62 174.17 1iuh s GLY 78 N -3.83 0.09 0.12 3.99 0.00 0.06 -4.80 107.32 102.94 1iuh s GLY 78 Ca 0.28 -0.35 0.05 0.00 0.00 0.00 0.00 44.72 44.70 1iuh s GLY 78 CO 0.15 0.83 -0.12 -0.19 0.00 0.00 0.00 173.10 173.77 1iuh s TYR 79 N -2.63 1.25 -0.06 1.90 1.51 -1.26 -1.60 117.35 116.45 1iuh s TYR 79 Ca 0.17 -0.63 0.00 0.00 -1.01 0.00 0.00 57.07 55.60 1iuh s TYR 79 Cb -0.03 -0.66 0.02 0.00 -0.11 0.00 0.00 41.96 41.18 1iuh s TYR 79 CO 0.07 0.08 -0.05 0.12 -1.11 0.00 0.00 175.55 174.66 1iuh s PHE 80 N -2.49 0.90 0.59 2.71 5.36 -1.04 -3.12 117.98 120.88 1iuh s PHE 80 Ca 0.09 -0.30 -0.16 0.00 -0.96 0.00 0.00 56.93 55.60 1iuh s PHE 80 Cb -0.03 -0.81 -0.04 0.00 -0.34 0.00 0.00 43.02 41.80 1iuh s PHE 80 CO 0.01 -0.27 1.05 -2.14 -1.46 0.00 0.00 175.22 172.41 1iuh s PRO 81 N 1.24 3.36 0.48 10.12 0.02 -1.26 0.20 135.00 149.16 1iuh s PRO 81 Ca -0.06 1.19 0.20 0.00 0.02 0.00 0.00 61.00 62.35 1iuh s PRO 81 Cb -0.14 -2.04 1.22 0.00 0.02 0.00 0.00 34.50 33.56 1iuh s PRO 81 CO -0.02 -0.78 1.97 -0.97 -0.33 0.00 0.00 177.00 176.88 1iuh h ASN 82 N 0.46 0.19 -4.38 2.53 -0.73 -1.92 -3.42 115.58 108.31 1iuh h ASN 82 Ca -0.47 0.01 -0.38 0.00 1.87 0.00 0.00 56.30 57.33 1iuh h ASN 82 Cb 1.22 -0.03 -0.24 0.00 0.27 0.00 0.00 38.32 39.54 1iuh h ASN 82 CO 0.58 0.10 -0.77 -1.61 -0.37 0.00 0.00 177.43 175.36 1iuh s GLU 83 N -5.21 0.74 0.36 6.67 2.02 -1.26 -4.94 118.70 117.07 1iuh s GLU 83 Ca -0.06 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.25 1iuh s GLU 83 Cb 0.20 -0.68 0.00 0.00 0.10 0.00 0.00 34.13 33.75 1iuh s GLU 83 CO 0.74 0.16 0.00 0.41 0.02 0.00 0.00 175.26 176.60 1iuh n GLY 84 N 1.93 -2.31 3.65 -1.39 0.00 -1.26 -4.87 105.19 100.93 1iuh n GLY 84 Ca -0.19 -1.77 -0.51 0.00 0.00 0.00 0.00 46.02 43.55 1iuh n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iuh n THR 85 N -0.15 0.16 -2.31 2.61 -1.04 -1.26 -4.86 114.28 107.43 1iuh n THR 85 Ca 0.00 -0.03 -0.31 0.00 -2.04 0.00 0.00 64.05 61.67 1iuh n THR 85 Cb 0.00 -1.24 -0.02 0.00 -1.82 0.00 0.00 70.33 67.25 1iuh n THR 85 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1iuh s PRO 86 N 1.86 3.81 -0.16 -2.82 0.04 -1.26 -4.26 135.00 132.21 1iuh s PRO 86 Ca 0.88 0.80 0.02 0.00 0.04 0.00 0.00 61.00 62.73 1iuh s PRO 86 Cb -0.88 -2.16 -0.11 0.00 0.04 0.00 0.00 34.50 31.39 1iuh s PRO 86 CO 0.50 -0.33 -0.14 -2.13 0.04 0.00 0.00 177.00 174.95 1iuh n ARG 87 N -1.92 0.46 -3.98 4.56 0.63 0.54 -4.69 116.66 112.26 1iuh n ARG 87 Ca 0.06 0.09 -0.09 0.00 -0.92 0.00 0.00 57.85 56.99 1iuh n ARG 87 Cb 0.54 -1.33 -0.11 0.00 0.45 0.00 0.00 32.46 32.01 1iuh n ARG 87 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1iuh s VAL 88 N -2.33 0.11 -0.16 5.15 1.01 -0.23 -1.00 120.40 122.96 1iuh s VAL 88 Ca -0.21 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1iuh s VAL 88 Cb 0.06 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.19 1iuh s VAL 88 CO 0.38 -0.49 -0.18 0.86 0.00 0.00 0.00 175.10 175.67 1iuh s TRP 89 N -1.42 2.75 0.12 5.22 -0.00 0.57 -2.51 118.94 123.67 1iuh s TRP 89 Ca -0.16 -1.25 0.00 0.00 -0.00 0.00 0.00 56.10 54.70 1iuh s TRP 89 Cb -0.10 -1.88 -0.04 0.00 -0.00 0.00 0.00 33.47 31.45 1iuh s TRP 89 CO -0.01 -0.59 0.01 -0.59 -0.00 0.00 0.00 176.95 175.77 1iuh s PHE 90 N 0.93 0.89 -0.06 5.86 -0.12 -0.63 0.98 117.98 125.83 1iuh s PHE 90 Ca -0.04 -1.10 -0.04 0.00 -0.05 0.00 0.00 56.93 55.71 1iuh s PHE 90 Cb -0.15 -0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 41.68 1iuh s PHE 90 CO -0.03 -0.35 0.14 0.00 -0.05 0.00 0.00 175.22 174.92 1iuh s ALA 91 N -3.85 3.82 -0.05 1.99 0.00 0.61 -0.76 121.76 123.51 1iuh s ALA 91 Ca 0.19 -0.73 -0.19 0.00 0.00 0.00 0.00 51.96 51.23 1iuh s ALA 91 Cb 0.07 -1.84 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 1iuh s ALA 91 CO -0.01 0.68 0.51 0.15 0.00 0.00 0.00 175.76 177.09 1iuh s LYS 92 N -1.47 4.26 0.25 0.00 1.02 0.23 -0.66 119.74 123.37 1iuh s LYS 92 Ca 0.21 0.56 0.09 0.00 0.02 0.00 0.00 55.97 56.85 1iuh s LYS 92 Cb -0.12 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.78 1iuh s LYS 92 CO 0.11 0.33 -0.15 0.00 -0.92 0.00 0.00 175.35 174.72 1iuh s ALA 93 N 0.01 2.37 -0.01 5.17 0.00 -0.70 0.30 121.76 128.91 1iuh s ALA 93 Ca 0.28 -1.79 -0.13 0.00 0.00 0.00 0.00 51.96 50.31 1iuh s ALA 93 Cb -0.17 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1iuh s ALA 93 CO 0.14 0.12 0.26 -1.83 0.00 0.00 0.00 175.76 174.45 1iuh s GLU 94 N -3.61 0.62 0.00 0.00 -1.05 -0.20 -4.57 118.70 109.90 1iuh s GLU 94 Ca 0.27 -0.24 0.00 0.00 -0.15 0.00 0.00 54.97 54.84 1iuh s GLU 94 Cb -0.01 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 1iuh s GLU 94 CO 0.11 -0.16 0.00 0.00 0.95 0.00 0.00 175.26 176.16 1iuh n ALA 95 N 1.34 0.00 -0.32 -0.84 0.00 -1.26 -2.48 120.51 116.95 1iuh n ALA 95 Ca -0.22 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.36 1iuh n ALA 95 Cb 0.56 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.33 1iuh n ALA 95 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1iuh h GLU 96 N 0.00 0.45 -1.00 0.00 4.39 -2.01 -2.03 114.58 114.39 1iuh h GLU 96 Ca 0.00 -0.03 0.18 0.00 0.34 0.00 0.00 59.36 59.85 1iuh h GLU 96 Cb 0.00 -0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 28.44 1iuh h GLU 96 CO 0.00 0.30 0.61 0.78 -1.16 0.00 0.00 179.01 179.54 1iuh h GLY 97 N 0.47 1.77 1.00 -3.84 0.00 -1.95 0.31 103.07 100.82 1iuh h GLY 97 Ca 0.57 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.49 1iuh h GLY 97 CO -0.50 -0.03 0.15 0.74 0.00 0.00 0.00 176.54 176.90 1iuh h PHE 98 N 0.79 0.92 -0.40 5.60 0.05 -1.76 -0.59 116.94 121.55 1iuh h PHE 98 Ca 0.57 -0.10 -0.10 0.00 3.82 0.00 0.00 57.97 62.16 1iuh h PHE 98 Cb 0.84 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 38.51 1iuh h PHE 98 CO -0.01 0.78 -0.13 -0.07 -0.18 0.00 0.00 178.31 178.71 1iuh h LEU 99 N 0.78 0.80 -0.34 1.54 -0.00 -1.05 -0.73 115.31 116.31 1iuh h LEU 99 Ca 0.18 -0.38 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 1iuh h LEU 99 Cb 0.32 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.74 1iuh h LEU 99 CO -0.00 1.00 0.22 0.03 -0.00 0.00 0.00 178.44 179.69 1iuh h ARG 100 N 0.60 0.45 -0.59 1.13 3.08 -0.26 -0.67 114.38 118.13 1iuh h ARG 100 Ca 0.10 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1iuh h ARG 100 Cb 0.66 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1iuh h ARG 100 CO 0.05 0.31 0.11 -0.07 -1.07 0.00 0.00 179.97 179.30 1iuh h LEU 101 N 0.46 0.88 -0.85 3.04 3.38 -1.00 -0.66 115.31 120.56 1iuh h LEU 101 Ca 0.12 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1iuh h LEU 101 Cb -0.04 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1iuh h LEU 101 CO -0.03 0.88 0.41 0.00 0.09 0.00 0.00 178.44 179.79 1iuh h ALA 102 N 1.23 1.09 -0.26 1.53 0.00 -0.64 -1.91 119.26 120.30 1iuh h ALA 102 Ca 0.19 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1iuh h ALA 102 Cb 0.37 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1iuh h ALA 102 CO 0.01 0.66 -0.10 0.93 0.00 0.00 0.00 179.25 180.74 1iuh h GLU 103 N 1.21 0.53 -0.98 0.00 5.08 -0.81 -1.51 114.58 118.09 1iuh h GLU 103 Ca 0.29 -0.22 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1iuh h GLU 103 Cb 0.12 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 1iuh h GLU 103 CO -0.04 0.77 0.63 0.78 -1.00 0.00 0.00 179.01 180.15 1iuh h GLY 104 N 0.26 1.51 1.49 -3.84 0.00 -0.93 -0.66 103.07 100.91 1iuh h GLY 104 Ca 0.06 -0.44 -0.28 0.00 0.00 0.00 0.00 47.33 46.67 1iuh h GLY 104 CO 0.03 0.27 -1.21 1.41 0.00 0.00 0.00 176.54 177.04 1iuh h LEU 105 N 1.07 0.59 -1.22 3.11 3.38 -1.24 -2.63 115.31 118.38 1iuh h LEU 105 Ca 0.45 -0.58 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1iuh h LEU 105 Cb 0.30 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1iuh h LEU 105 CO -0.20 1.42 -0.17 0.03 0.09 0.00 0.00 178.44 179.61 1iuh h ARG 106 N 0.16 0.33 -0.24 1.13 3.08 -0.75 -1.28 114.38 116.79 1iuh h ARG 106 Ca -0.15 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 1iuh h ARG 106 Cb 1.90 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.91 1iuh h ARG 106 CO 0.21 0.50 0.02 0.00 -1.07 0.00 0.00 179.97 179.63 1iuh h ALA 107 N 1.52 0.33 -0.63 0.04 0.00 -1.11 -0.43 119.26 118.97 1iuh h ALA 107 Ca 0.06 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1iuh h ALA 107 Cb 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1iuh h ALA 107 CO 0.03 0.03 0.12 0.78 0.00 0.00 0.00 179.25 180.20 1iuh h GLY 108 N 0.21 1.12 1.55 0.00 0.00 -1.15 -1.25 103.07 103.54 1iuh h GLY 108 Ca 0.07 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.56 1iuh h GLY 108 CO 0.01 0.68 -0.33 -2.08 0.00 0.00 0.00 176.54 174.82 1iuh h VAL 109 N 0.95 1.29 -0.12 4.60 2.07 -1.17 -1.74 116.25 122.13 1iuh h VAL 109 Ca 0.19 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 1iuh h VAL 109 Cb 0.41 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1iuh h VAL 109 CO 0.01 0.45 -0.02 -0.33 0.02 0.00 0.00 177.57 177.70 1iuh h GLU 110 N 0.43 0.23 -0.85 1.57 5.08 -0.69 0.10 114.58 120.46 1iuh h GLU 110 Ca 0.05 -0.08 0.15 0.00 -1.00 0.00 0.00 59.36 58.48 1iuh h GLU 110 Cb 0.78 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.92 1iuh h GLU 110 CO 0.06 0.51 0.42 1.49 -1.00 0.00 0.00 179.01 180.50 1iuh h GLU 111 N -0.07 0.57 0.00 2.33 4.81 -1.07 1.18 114.58 122.33 1iuh h GLU 111 Ca 0.03 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1iuh h GLU 111 Cb 0.42 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1iuh h GLU 111 CO 0.01 0.38 -0.90 1.25 -0.73 0.00 0.00 179.01 179.02 1iuh h LEU 112 N 0.59 0.00 0.00 1.64 5.85 -1.09 -3.36 115.31 118.93 1iuh h LEU 112 Ca 0.47 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.16 1iuh h LEU 112 Cb 0.69 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 1iuh h LEU 112 CO -0.38 0.90 -1.60 0.18 -0.34 0.00 0.00 178.44 177.20 1iuh n LEU 113 N -3.36 0.00 0.00 2.25 4.32 0.33 -5.07 117.00 115.47 1iuh n LEU 113 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1iuh n LEU 113 Cb 0.89 0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.72 1iuh n LEU 113 CO 0.46 0.03 0.00 0.61 -1.22 0.00 0.00 177.39 177.27 1iuh n GLY 114 N 1.85 1.47 0.50 -0.72 0.00 0.40 -2.50 105.19 106.18 1iuh n GLY 114 Ca -0.04 -0.56 0.39 0.00 0.00 0.00 0.00 46.02 45.82 1iuh n GLY 114 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1iuh h GLU 115 N 0.00 0.06 0.00 1.61 4.22 -1.97 0.16 114.58 118.65 1iuh h GLU 115 Ca 0.00 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1iuh h GLU 115 Cb 0.00 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1iuh h GLU 115 CO 0.00 0.04 -0.00 0.93 -2.18 0.00 0.00 179.01 177.80 1iuh h GLU 116 N 0.06 0.00 0.00 1.92 5.08 -1.88 -2.44 114.58 117.31 1iuh h GLU 116 Ca 0.84 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.20 1iuh h GLU 116 Cb 2.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.00 1iuh h GLU 116 CO -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.64 1iuh n ALA 117 N -2.17 1.41 0.20 3.43 0.00 0.04 -2.15 120.51 121.28 1iuh n ALA 117 Ca -0.03 0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.62 1iuh n ALA 117 Cb 0.08 -1.34 0.24 0.00 0.00 0.00 0.00 19.45 18.43 1iuh n ALA 117 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1iuh h VAL 118 N 0.00 0.40 -0.00 0.00 -1.51 -1.65 -2.81 116.25 110.67 1iuh h VAL 118 Ca 0.00 -1.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.10 1iuh h VAL 118 Cb 0.21 2.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 1iuh h VAL 118 CO 0.00 0.21 -0.02 0.54 -1.23 0.00 0.00 177.57 177.06 1iuh n ARG 119 N -3.20 0.16 -1.95 5.19 1.74 -0.91 -4.73 116.66 112.96 1iuh n ARG 119 Ca 0.02 -0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.68 1iuh n ARG 119 Cb 0.55 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.47 1iuh n ARG 119 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1iuh s ILE 120 N -2.85 2.48 0.23 0.55 1.01 -1.06 -4.88 121.20 116.69 1iuh s ILE 120 Ca 0.19 0.41 -0.31 0.00 0.00 0.00 0.00 60.65 60.94 1iuh s ILE 120 Cb 0.19 -3.26 -0.12 0.00 0.01 0.00 0.00 42.46 39.28 1iuh s ILE 120 CO 0.51 0.07 1.70 -2.65 0.00 0.00 0.00 174.94 174.57 1iuh n PRO 121 N 2.19 2.78 -1.92 2.79 -0.02 -1.26 -2.09 135.00 137.47 1iuh n PRO 121 Ca 0.07 1.00 -0.17 0.00 -2.02 0.00 0.00 63.50 62.38 1iuh n PRO 121 Cb 0.39 -2.84 -0.04 0.00 -0.02 0.00 0.00 33.50 31.00 1iuh n PRO 121 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iuh n GLY 122 N 3.51 0.62 0.24 -1.23 0.00 -1.26 -4.85 105.19 102.22 1iuh n GLY 122 Ca 0.14 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.05 1iuh n GLY 122 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1iuh h TRP 123 N 0.00 0.00 0.00 1.61 2.91 -1.71 -2.96 115.95 115.80 1iuh h TRP 123 Ca -0.37 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.65 1iuh h TRP 123 Cb 1.19 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.84 1iuh h TRP 123 CO 0.45 0.19 -0.55 -0.25 -1.03 0.00 0.00 178.44 177.26 1iuh n ASP 124 N -3.71 0.70 -4.77 2.65 8.00 -1.26 -4.88 116.55 113.28 1iuh n ASP 124 Ca -0.01 0.16 -0.40 0.00 0.71 0.00 0.00 54.79 55.25 1iuh n ASP 124 Cb 0.30 0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 1iuh n ASP 124 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1iuh s LYS 125 N -3.15 4.22 0.11 -1.24 1.02 -1.12 -4.97 119.74 114.61 1iuh s LYS 125 Ca 0.07 2.13 -0.30 0.00 0.02 0.00 0.00 55.97 57.89 1iuh s LYS 125 Cb 0.13 -2.94 -0.06 0.00 -0.52 0.00 0.00 37.83 34.45 1iuh s LYS 125 CO 0.70 -0.27 1.04 -2.14 -0.92 0.00 0.00 175.35 173.76 1iuh s PRO 126 N -1.97 4.61 0.18 -1.68 0.02 -1.26 -4.98 135.00 129.92 1iuh s PRO 126 Ca 0.52 1.57 -0.32 0.00 0.02 0.00 0.00 61.00 62.79 1iuh s PRO 126 Cb -0.38 -3.36 -0.11 0.00 0.02 0.00 0.00 34.50 30.67 1iuh s PRO 126 CO 0.49 0.07 1.70 0.12 -0.33 0.00 0.00 177.00 179.05 1iuh s PHE 127 N 0.24 2.82 -0.30 6.54 5.36 -1.26 -4.99 117.98 126.39 1iuh s PHE 127 Ca 0.50 0.35 0.01 0.00 -0.96 0.00 0.00 56.93 56.83 1iuh s PHE 127 Cb -0.26 -4.10 0.09 0.00 -0.34 0.00 0.00 43.02 38.42 1iuh s PHE 127 CO 0.31 -4.20 0.05 0.21 -1.46 0.00 0.00 175.22 170.13 1iuh s LYS 128 N 1.43 1.17 -0.50 10.12 2.47 -1.26 -5.07 119.74 128.10 1iuh s LYS 128 Ca 0.75 -1.29 -0.26 0.00 -1.56 0.00 0.00 55.97 53.60 1iuh s LYS 128 Cb -0.48 -2.53 -0.07 0.00 -1.46 0.00 0.00 37.83 33.30 1iuh s LYS 128 CO 0.32 -0.87 2.42 -0.35 0.16 0.00 0.00 175.35 177.04 1iuh n PRO 129 N 4.62 1.03 -4.28 4.03 -0.04 -1.26 -4.89 135.00 134.21 1iuh n PRO 129 Ca -0.03 -0.01 -0.16 0.00 -0.04 0.00 0.00 63.50 63.26 1iuh n PRO 129 Cb 0.43 -3.43 -0.10 0.00 -0.04 0.00 0.00 33.50 30.36 1iuh n PRO 129 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1iuh s HIS 130 N 12.23 1.44 -0.22 0.54 -3.43 -1.26 -1.71 115.29 122.87 1iuh s HIS 130 Ca 0.99 -0.65 -0.02 0.00 -0.80 0.00 0.00 55.06 54.58 1iuh s HIS 130 Cb -0.19 -0.71 0.07 0.00 -1.43 0.00 0.00 32.58 30.32 1iuh s HIS 130 CO 0.26 0.18 0.04 0.42 -2.00 0.00 0.00 174.74 173.65 1iuh s ILE 131 N -2.91 0.64 0.23 -5.38 1.01 0.17 -4.27 121.20 110.69 1iuh s ILE 131 Ca 0.16 -0.78 -0.31 0.00 0.00 0.00 0.00 60.65 59.72 1iuh s ILE 131 Cb -0.00 -1.21 -0.11 0.00 0.01 0.00 0.00 42.46 41.14 1iuh s ILE 131 CO 0.03 -0.32 1.64 -0.89 0.00 0.00 0.00 174.94 175.40 1iuh s THR 132 N 1.79 2.18 -0.21 2.92 2.01 -1.26 -0.28 115.64 122.79 1iuh s THR 132 Ca 0.01 0.14 0.08 0.00 0.31 0.00 0.00 61.69 62.23 1iuh s THR 132 Cb -0.17 -3.09 -0.18 0.00 0.01 0.00 0.00 72.50 69.07 1iuh s THR 132 CO -0.12 0.02 -0.09 0.18 -0.69 0.00 0.00 174.62 173.91 1iuh n LEU 133 N 3.29 1.69 -3.52 4.42 4.77 0.28 -4.74 117.00 123.18 1iuh n LEU 133 Ca 0.12 -0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 55.95 1iuh n LEU 133 Cb 0.37 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1iuh n LEU 133 CO 0.63 0.70 0.75 0.00 -1.33 0.00 0.00 177.39 178.14 1iuh s ALA 134 N -2.45 -1.87 -0.01 -1.18 0.00 -0.71 -2.29 121.76 113.24 1iuh s ALA 134 Ca -0.22 1.16 0.06 0.00 0.00 0.00 0.00 51.96 52.97 1iuh s ALA 134 Cb 0.07 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1iuh s ALA 134 CO 0.62 -0.64 -0.20 1.03 0.00 0.00 0.00 175.76 176.58 1iuh s ARG 135 N -2.83 1.55 -0.82 0.00 0.52 0.60 -0.32 118.95 117.65 1iuh s ARG 135 Ca 0.05 -0.74 -0.25 0.00 -0.52 0.00 0.00 55.73 54.27 1iuh s ARG 135 Cb -0.01 -1.52 0.04 0.00 0.52 0.00 0.00 34.95 33.98 1iuh s ARG 135 CO -0.07 0.41 1.30 0.50 0.02 0.00 0.00 175.30 177.46 1iuh s ARG 136 N -0.58 3.31 0.14 3.54 6.06 -0.17 -0.00 118.95 131.25 1iuh s ARG 136 Ca 0.07 -0.58 0.24 0.00 -2.50 0.00 0.00 55.73 52.96 1iuh s ARG 136 Cb -0.08 -4.55 0.32 0.00 0.06 0.00 0.00 34.95 30.70 1iuh s ARG 136 CO -0.00 -2.13 1.31 0.87 -2.50 0.00 0.00 175.30 172.84 1iuh h LYS 137 N 9.90 0.00 -3.00 5.12 1.57 -1.62 -3.47 116.57 125.07 1iuh h LYS 137 Ca -0.13 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1iuh h LYS 137 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1iuh h LYS 137 CO 1.31 0.00 0.27 0.00 -0.57 0.00 0.00 179.45 180.47 1iuh s ALA 138 N -3.19 -0.76 0.16 3.86 0.00 -0.95 -5.05 121.76 115.83 1iuh s ALA 138 Ca 0.06 -0.74 -0.33 0.00 0.00 0.00 0.00 51.96 50.95 1iuh s ALA 138 Cb 0.13 0.68 -0.13 0.00 0.00 0.00 0.00 23.12 23.80 1iuh s ALA 138 CO 0.72 -0.99 1.66 -2.30 0.00 0.00 0.00 175.76 174.86 1iuh n PRO 139 N -0.53 2.40 -3.64 0.00 -0.02 -1.26 -4.60 135.00 127.35 1iuh n PRO 139 Ca -0.08 0.87 -0.15 0.00 -2.02 0.00 0.00 63.50 62.11 1iuh n PRO 139 Cb 0.60 -2.67 -0.07 0.00 -0.02 0.00 0.00 33.50 31.33 1iuh n PRO 139 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iuh s ALA 140 N 1.33 -1.25 0.37 3.55 0.00 -1.26 -3.82 121.76 120.68 1iuh s ALA 140 Ca 0.79 0.76 -0.01 0.00 0.00 0.00 0.00 51.96 53.49 1iuh s ALA 140 Cb -0.61 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1iuh s ALA 140 CO 0.37 -0.34 0.60 -1.25 0.00 0.00 0.00 175.76 175.14 1iuh s PRO 141 N -1.45 3.51 0.76 0.00 0.04 -1.26 -4.90 135.00 131.70 1iuh s PRO 141 Ca -0.11 -0.18 -0.13 0.00 0.04 0.00 0.00 61.00 60.62 1iuh s PRO 141 Cb -0.02 -2.59 0.06 0.00 0.04 0.00 0.00 34.50 31.98 1iuh s PRO 141 CO 0.06 0.07 1.15 1.03 0.04 0.00 0.00 177.00 179.35 1iuh s ARG 142 N -4.34 2.03 0.13 4.56 1.81 -1.26 -5.04 118.95 116.84 1iuh s ARG 142 Ca 0.42 1.54 0.09 0.00 -1.72 0.00 0.00 55.73 56.06 1iuh s ARG 142 Cb -0.10 -1.84 -0.04 0.00 -0.45 0.00 0.00 34.95 32.52 1iuh s ARG 142 CO 0.38 -1.87 -0.21 0.08 -0.68 0.00 0.00 175.30 173.00 1iuh s VAL 143 N -2.36 1.82 0.97 3.52 1.01 -1.26 -5.12 120.40 118.98 1iuh s VAL 143 Ca 0.69 -1.71 -0.13 0.00 0.00 0.00 0.00 61.98 60.83 1iuh s VAL 143 Cb -0.24 -1.71 0.07 0.00 0.00 0.00 0.00 36.38 34.49 1iuh s VAL 143 CO 0.49 -0.14 0.51 -2.65 0.00 0.00 0.00 175.10 173.31 1iuh n PRO 144 N 0.76 -0.50 -1.67 2.72 -0.02 -1.26 -4.90 135.00 130.13 1iuh n PRO 144 Ca -0.17 -0.10 -0.37 0.00 -2.02 0.00 0.00 63.50 60.84 1iuh n PRO 144 Cb 0.55 -1.94 0.06 0.00 -0.02 0.00 0.00 33.50 32.16 1iuh n PRO 144 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1iuh n PRO 145 N -2.24 0.99 -4.06 0.52 -0.02 -1.26 -5.01 135.00 123.92 1iuh n PRO 145 Ca 0.07 0.39 -0.33 0.00 -2.02 0.00 0.00 63.50 61.61 1iuh n PRO 145 Cb 0.54 -2.37 -0.15 0.00 -0.02 0.00 0.00 33.50 31.50 1iuh n PRO 145 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1iuh s VAL 146 N -1.45 2.26 0.09 -1.45 1.01 -1.26 -4.97 120.40 114.63 1iuh s VAL 146 Ca 0.80 -1.34 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 1iuh s VAL 146 Cb -0.39 -2.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 1iuh s VAL 146 CO 0.43 0.17 0.66 -0.76 0.00 0.00 0.00 175.10 175.60 1iuh s LEU 147 N 1.19 4.53 -0.10 3.92 1.43 -1.26 -2.82 118.68 125.57 1iuh s LEU 147 Ca -0.03 1.40 -0.08 0.00 -1.03 0.00 0.00 54.13 54.39 1iuh s LEU 147 Cb -0.17 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 42.94 1iuh s LEU 147 CO -0.07 0.21 -0.18 0.49 0.23 0.00 0.00 176.35 177.04 1iuh n PHE 148 N 1.87 0.00 -3.55 0.29 3.01 -1.26 -4.83 117.46 112.99 1iuh n PHE 148 Ca -0.08 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.17 1iuh n PHE 148 Cb 0.50 -0.41 0.02 0.00 -0.01 0.00 0.00 39.48 39.58 1iuh n PHE 148 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iuh n GLY 149 N 2.26 -1.15 2.77 1.37 0.00 -1.05 -5.00 105.19 104.39 1iuh n GLY 149 Ca -0.20 0.50 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 1iuh n GLY 149 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iuh s LEU 150 N -5.40 0.59 0.01 0.99 2.96 -1.18 -4.96 118.68 111.68 1iuh s LEU 150 Ca 0.22 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 1iuh s LEU 150 Cb -0.08 -0.41 -0.05 0.00 0.50 0.00 0.00 46.19 46.15 1iuh s LEU 150 CO 0.84 -0.19 0.26 -0.70 -1.32 0.00 0.00 176.35 175.24 1iuh s GLU 151 N 1.94 3.56 0.10 1.98 2.12 -1.26 -0.59 118.70 126.55 1iuh s GLU 151 Ca 0.04 -0.10 -0.13 0.00 0.36 0.00 0.00 54.97 55.15 1iuh s GLU 151 Cb -0.12 -3.08 0.02 0.00 0.26 0.00 0.00 34.13 31.20 1iuh s GLU 151 CO -0.05 0.65 0.30 1.67 -0.54 0.00 0.00 175.26 177.29 1iuh s TRP 152 N -1.30 -0.04 -0.30 5.30 -2.14 0.63 -4.98 118.94 116.12 1iuh s TRP 152 Ca 0.27 -0.31 -0.25 0.00 2.66 0.00 0.00 56.10 58.47 1iuh s TRP 152 Cb -0.13 0.10 0.00 0.00 -3.10 0.00 0.00 33.47 30.34 1iuh s TRP 152 CO 0.16 -0.61 0.88 -2.14 -2.66 0.00 0.00 176.95 172.58 1iuh s PRO 153 N -3.69 4.03 -0.35 3.25 0.02 -1.26 -0.80 135.00 136.20 1iuh s PRO 153 Ca 0.03 0.79 -0.18 0.00 0.02 0.00 0.00 61.00 61.65 1iuh s PRO 153 Cb 0.03 -3.72 -0.00 0.00 0.02 0.00 0.00 34.50 30.83 1iuh s PRO 153 CO -0.11 -0.71 0.53 0.08 -0.33 0.00 0.00 177.00 176.46 1iuh s VAL 154 N 3.13 4.99 -1.47 3.83 1.01 0.86 -4.92 120.40 127.83 1iuh s VAL 154 Ca 0.36 0.39 0.16 0.00 0.00 0.00 0.00 61.98 62.90 1iuh s VAL 154 Cb -0.14 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 1iuh s VAL 154 CO 0.12 -0.23 0.85 -0.62 0.00 0.00 0.00 175.10 175.23 1iuh n GLU 155 N 5.79 1.67 -3.38 2.72 -0.58 -1.26 -1.79 120.64 123.80 1iuh n GLU 155 Ca -0.04 -0.81 0.00 0.00 -0.42 0.00 0.00 57.16 55.89 1iuh n GLU 155 Cb 0.49 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 1iuh n GLU 155 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iuh n GLY 156 N 1.14 -1.70 3.17 0.62 0.00 -1.26 -0.25 105.19 106.92 1iuh n GLY 156 Ca 0.07 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 1iuh n GLY 156 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1iuh n PHE 157 N 0.38 -1.56 -4.05 1.61 1.16 -0.89 -4.68 117.46 109.44 1iuh n PHE 157 Ca 0.00 -2.07 -0.09 0.00 -1.87 0.00 0.00 57.45 53.42 1iuh n PHE 157 Cb 0.00 0.58 -0.09 0.00 -1.61 0.00 0.00 39.48 38.36 1iuh n PHE 157 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1iuh s ALA 158 N -2.54 0.41 -0.22 1.98 0.00 0.09 -0.45 121.76 121.03 1iuh s ALA 158 Ca 0.24 -1.15 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 1iuh s ALA 158 Cb -0.02 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 1iuh s ALA 158 CO 0.17 -0.51 0.06 -1.17 0.00 0.00 0.00 175.76 174.32 1iuh s LEU 159 N -2.97 3.51 0.01 0.00 2.96 -0.17 -1.35 118.68 120.67 1iuh s LEU 159 Ca 0.16 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 1iuh s LEU 159 Cb 0.06 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 1iuh s LEU 159 CO -0.03 0.04 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.20 1iuh s VAL 160 N 1.19 1.20 -0.04 1.68 1.01 -0.58 -0.80 120.40 124.06 1iuh s VAL 160 Ca 0.04 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 1iuh s VAL 160 Cb -0.14 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1iuh s VAL 160 CO 0.03 0.21 0.15 -0.60 0.00 0.00 0.00 175.10 174.88 1iuh s ARG 161 N -0.70 3.36 -0.03 2.72 3.52 0.11 -2.07 118.95 125.87 1iuh s ARG 161 Ca 0.04 -0.29 0.06 0.00 -0.13 0.00 0.00 55.73 55.41 1iuh s ARG 161 Cb -0.07 -3.08 -0.01 0.00 -1.56 0.00 0.00 34.95 30.23 1iuh s ARG 161 CO 0.00 0.70 -0.21 0.45 -0.81 0.00 0.00 175.30 175.43 1iuh s SER 162 N -1.60 2.56 -0.07 -2.12 0.15 -0.52 -1.09 113.70 111.00 1iuh s SER 162 Ca 0.22 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.48 1iuh s SER 162 Cb -0.12 -0.45 0.02 0.00 -1.71 0.00 0.00 66.02 63.75 1iuh s SER 162 CO 0.13 0.24 -0.10 -1.61 1.20 0.00 0.00 173.24 173.10 1iuh s GLU 163 N -0.33 1.56 -0.17 5.44 2.02 -0.53 -4.26 118.70 122.43 1iuh s GLU 163 Ca 0.04 -0.34 -0.29 0.00 0.02 0.00 0.00 54.97 54.39 1iuh s GLU 163 Cb -0.10 -1.38 -0.00 0.00 0.10 0.00 0.00 34.13 32.74 1iuh s GLU 163 CO 0.01 -0.06 1.05 -1.17 0.02 0.00 0.00 175.26 175.11 1iuh s LEU 164 N 0.94 4.17 0.00 1.80 2.96 -1.26 -0.78 118.68 126.51 1iuh s LEU 164 Ca -0.10 1.49 0.03 0.00 -0.22 0.00 0.00 54.13 55.33 1iuh s LEU 164 Cb -0.15 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 1iuh s LEU 164 CO 0.00 -0.59 0.10 0.29 -1.32 0.00 0.00 176.35 174.83 1iuh n LYS 165 N 5.77 0.71 0.00 1.98 5.02 -0.87 -4.97 118.16 125.80 1iuh n LYS 165 Ca 0.11 -2.39 0.00 0.00 -2.02 0.00 0.00 58.31 54.01 1iuh n LYS 165 Cb 0.47 1.27 0.00 0.00 -0.02 0.00 0.00 35.03 36.75 1iuh n LYS 165 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1iuh n PRO 166 N -0.64 0.00 0.21 1.97 -0.02 -1.26 -2.31 135.00 132.95 1iuh n PRO 166 Ca -0.04 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.49 1iuh n PRO 166 Cb 0.42 -0.50 0.27 0.00 -0.02 0.00 0.00 33.50 33.67 1iuh n PRO 166 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1iuh h LYS 167 N 0.00 0.00 0.00 -0.52 1.57 -2.01 -3.45 116.57 112.16 1iuh h LYS 167 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1iuh h LYS 167 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1iuh h LYS 167 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1iuh n GLY 168 N -1.29 0.91 3.74 3.86 0.00 -0.98 -5.10 105.19 106.33 1iuh n GLY 168 Ca -0.01 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 1iuh n GLY 168 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iuh s PRO 169 N -1.74 4.30 -0.18 1.61 0.04 -1.26 -2.06 135.00 135.70 1iuh s PRO 169 Ca 0.00 2.24 -0.02 0.00 0.04 0.00 0.00 61.00 63.26 1iuh s PRO 169 Cb 0.00 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.40 1iuh s PRO 169 CO 0.00 -0.38 -0.08 0.08 0.04 0.00 0.00 177.00 176.66 1iuh s VAL 170 N 0.04 3.22 -0.02 -0.36 1.01 0.04 -4.92 120.40 119.40 1iuh s VAL 170 Ca 0.59 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 1iuh s VAL 170 Cb -0.41 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1iuh s VAL 170 CO 0.42 0.47 0.42 -0.31 0.00 0.00 0.00 175.10 176.09 1iuh s TYR 171 N 1.02 3.69 -0.10 5.22 2.02 -1.26 -1.46 117.35 126.48 1iuh s TYR 171 Ca -0.00 0.97 -0.00 0.00 -0.37 0.00 0.00 57.07 57.67 1iuh s TYR 171 Cb -0.15 -2.33 0.02 0.00 -0.40 0.00 0.00 41.96 39.10 1iuh s TYR 171 CO -0.01 0.56 -0.07 0.99 -1.57 0.00 0.00 175.55 175.45 1iuh s THR 172 N -0.78 0.92 -0.45 -0.71 2.01 -0.25 -4.97 115.64 111.41 1iuh s THR 172 Ca 0.24 -0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 1iuh s THR 172 Cb -0.16 -0.95 0.02 0.00 0.01 0.00 0.00 72.50 71.42 1iuh s THR 172 CO 0.13 0.35 1.22 -0.69 -0.69 0.00 0.00 174.62 174.93 1iuh s VAL 173 N 1.61 4.12 0.14 3.82 1.01 -1.26 0.08 120.40 129.92 1iuh s VAL 173 Ca 0.02 1.15 -0.01 0.00 0.00 0.00 0.00 61.98 63.14 1iuh s VAL 173 Cb -0.13 -4.48 -0.17 0.00 0.00 0.00 0.00 36.38 31.60 1iuh s VAL 173 CO -0.06 -0.92 1.33 -0.07 0.00 0.00 0.00 175.10 175.37 1iuh h LEU 174 N 11.49 0.38 -7.00 3.92 3.38 -1.32 -3.47 115.31 122.68 1iuh h LEU 174 Ca -0.24 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.43 1iuh h LEU 174 Cb 1.07 -0.12 -0.22 0.00 0.09 0.00 0.00 40.66 41.49 1iuh h LEU 174 CO 1.11 1.12 0.37 -1.61 0.09 0.00 0.00 178.44 179.53 1iuh s GLU 175 N -3.18 0.76 0.05 1.13 2.02 -0.92 -4.99 118.70 113.57 1iuh s GLU 175 Ca -0.04 0.35 0.03 0.00 0.02 0.00 0.00 54.97 55.32 1iuh s GLU 175 Cb 0.09 0.36 -0.04 0.00 0.10 0.00 0.00 34.13 34.65 1iuh s GLU 175 CO 0.85 -0.20 0.02 0.15 0.02 0.00 0.00 175.26 176.09 1iuh s LYS 176 N -0.77 2.73 -0.02 1.61 1.02 -1.26 -1.00 119.74 122.05 1iuh s LYS 176 Ca -0.04 -0.71 0.03 0.00 0.02 0.00 0.00 55.97 55.27 1iuh s LYS 176 Cb -0.01 -2.64 -0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1iuh s LYS 176 CO 0.03 0.58 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.88 1iuh s PHE 177 N -1.24 1.03 -0.20 3.18 0.40 0.40 -4.98 117.98 116.56 1iuh s PHE 177 Ca 0.24 -0.24 -0.09 0.00 -0.60 0.00 0.00 56.93 56.25 1iuh s PHE 177 Cb -0.12 -0.70 -0.05 0.00 0.51 0.00 0.00 43.02 42.67 1iuh s PHE 177 CO 0.16 -0.07 0.11 -1.12 0.70 0.00 0.00 175.22 175.00 1iuh s SER 178 N -0.01 5.95 0.05 1.36 0.01 -1.26 -2.10 113.70 117.70 1iuh s SER 178 Ca 0.00 0.14 -0.31 0.00 1.31 0.00 0.00 55.95 57.10 1iuh s SER 178 Cb -0.07 -2.04 -0.08 0.00 0.21 0.00 0.00 66.02 64.04 1iuh s SER 178 CO 0.00 0.15 1.62 -0.76 0.41 0.00 0.00 173.24 174.66 1iuh s LEU 179 N 0.52 4.36 0.00 2.44 1.43 0.65 -4.55 118.68 123.53 1iuh s LEU 179 Ca 0.06 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 1iuh s LEU 179 Cb -0.12 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1iuh s LEU 179 CO 0.00 -0.86 0.29 -1.14 0.23 0.00 0.00 176.35 174.87 1iuh n ARG 180 N 5.67 0.10 -1.38 1.70 3.00 -0.59 -4.44 116.66 120.73 1iuh n ARG 180 Ca 0.16 -0.32 -0.35 0.00 -0.00 0.00 0.00 57.85 57.34 1iuh n ARG 180 Cb 0.41 -0.56 0.10 0.00 0.00 0.00 0.00 32.46 32.41 1iuh n ARG 180 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1iuh s GLY 181 N -0.06 2.46 0.02 5.14 0.00 0.38 -4.86 107.32 110.41 1iuh s GLY 181 Ca 0.00 1.01 -0.11 0.00 0.00 0.00 0.00 44.72 45.62 1iuh s GLY 181 CO 0.00 1.43 0.96 0.83 0.00 0.00 0.00 173.10 176.32 1iuh h GLU 182 N -0.29 0.42 0.00 2.90 4.39 -1.75 -3.26 114.58 116.99 1iuh h GLU 182 Ca -0.48 -0.72 0.00 0.00 0.34 0.00 0.00 59.36 58.50 1iuh h GLU 182 Cb 1.31 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 30.23 1iuh h GLU 182 CO 0.49 1.33 0.00 1.58 -1.16 0.00 0.00 179.01 181.25