#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hux s ARG 3 N 0.00 1.45 0.07 0.54 0.52 -0.69 -2.97 118.95 117.86 3hux s ARG 3 Ca 0.00 -1.80 0.05 0.00 -0.52 0.00 0.00 55.73 53.46 3hux s ARG 3 Cb 0.00 -0.10 -0.03 0.00 0.52 0.00 0.00 34.95 35.34 3hux s ARG 3 CO 0.00 -0.37 -0.14 -0.51 0.02 0.00 0.00 175.30 174.29 3hux s LEU 4 N -3.31 2.25 -0.39 2.53 1.43 0.15 -2.96 118.68 118.39 3hux s LEU 4 Ca 0.37 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 3hux s LEU 4 Cb 0.07 -0.54 0.12 0.00 0.03 0.00 0.00 46.19 45.87 3hux s LEU 4 CO 0.15 -0.05 0.18 -0.75 0.23 0.00 0.00 176.35 176.11 3hux s LYS 5 N -1.61 1.09 0.24 1.70 2.20 -0.43 -0.43 119.74 122.50 3hux s LYS 5 Ca -0.01 -1.68 -0.06 0.00 -0.36 0.00 0.00 55.97 53.86 3hux s LYS 5 Cb -0.10 -2.25 -0.06 0.00 -1.51 0.00 0.00 37.83 33.92 3hux s LYS 5 CO 0.02 -1.09 0.51 0.14 -0.36 0.00 0.00 175.35 174.57 3hux s VAL 6 N 0.82 5.04 -0.06 4.02 -7.23 -1.04 -1.40 120.40 120.54 3hux s VAL 6 Ca 0.15 0.13 -0.03 0.00 -1.81 0.00 0.00 61.98 60.43 3hux s VAL 6 Cb -0.22 -3.68 0.04 0.00 0.56 0.00 0.00 36.38 33.08 3hux s VAL 6 CO -0.08 -0.18 0.10 -0.75 -0.31 0.00 0.00 175.10 173.88 3hux s LYS 7 N -3.18 -0.03 -0.16 4.82 2.20 0.50 -0.97 119.74 122.91 3hux s LYS 7 Ca 0.44 0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 56.19 3hux s LYS 7 Cb -0.11 -0.47 -0.03 0.00 -1.51 0.00 0.00 37.83 35.71 3hux s LYS 7 CO 0.27 -0.34 1.56 -1.17 -0.36 0.00 0.00 175.35 175.31 3hux s LEU 8 N 2.22 4.07 0.00 5.43 1.98 -0.84 -1.02 118.68 130.52 3hux s LEU 8 Ca 0.04 1.80 0.06 0.00 -2.89 0.00 0.00 54.13 53.14 3hux s LEU 8 Cb -0.12 -3.53 -0.02 0.00 0.66 0.00 0.00 46.19 43.17 3hux s LEU 8 CO -0.04 -1.07 0.40 1.33 -1.89 0.00 0.00 176.35 175.07 3hux n VAL 9 N 5.95 0.00 -3.74 1.68 0.24 -0.11 0.14 118.33 122.50 3hux n VAL 9 Ca 0.17 -0.41 -0.18 0.00 -2.04 0.00 0.00 64.34 61.88 3hux n VAL 9 Cb 0.44 1.05 -0.17 0.00 -1.47 0.00 0.00 33.84 33.69 3hux n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3hux s LYS 10 N -1.18 0.00 -0.03 7.34 2.20 -0.48 -4.89 119.74 122.70 3hux s LYS 10 Ca 0.04 0.27 -0.39 0.00 -0.36 0.00 0.00 55.97 55.53 3hux s LYS 10 Cb 0.05 -0.43 -0.18 0.00 -1.51 0.00 0.00 37.83 35.76 3hux s LYS 10 CO 0.18 -0.25 1.35 0.45 -0.36 0.00 0.00 175.35 176.72 3hux n SER 11 N 4.76 1.33 -0.46 1.43 2.88 -1.26 -4.76 113.62 117.54 3hux n SER 11 Ca -0.15 1.13 0.08 0.00 -1.33 0.00 0.00 58.87 58.60 3hux n SER 11 Cb 0.50 -1.10 0.29 0.00 -0.75 0.00 0.00 64.21 63.16 3hux n SER 11 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3hux n PRO 12 N 2.79 1.59 -1.66 -1.46 -0.04 -1.26 -4.82 135.00 130.14 3hux n PRO 12 Ca 0.21 -0.89 -0.25 0.00 -0.04 0.00 0.00 63.50 62.52 3hux n PRO 12 Cb 0.14 -1.30 -0.05 0.00 -0.04 0.00 0.00 33.50 32.25 3hux n PRO 12 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3hux s ILE 13 N -1.76 3.09 0.00 0.52 1.01 -1.26 -1.79 121.20 121.01 3hux s ILE 13 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.88 3hux s ILE 13 Cb 0.13 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.39 3hux s ILE 13 CO 0.20 -0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.55 3hux n GLY 14 N 6.43 1.69 3.93 6.18 0.00 -1.26 -5.11 105.19 117.04 3hux n GLY 14 Ca 0.40 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.16 3hux n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hux s TYR 15 N -1.14 2.87 0.90 1.61 1.51 -0.74 -5.04 117.35 117.32 3hux s TYR 15 Ca 0.00 0.48 -0.11 0.00 -1.01 0.00 0.00 57.07 56.43 3hux s TYR 15 Cb 0.00 -3.27 0.13 0.00 -0.11 0.00 0.00 41.96 38.71 3hux s TYR 15 CO 0.00 -1.51 1.10 -2.14 -1.11 0.00 0.00 175.55 171.89 3hux s PRO 16 N -5.32 1.21 0.11 -1.71 0.02 -1.26 -4.82 135.00 123.22 3hux s PRO 16 Ca 0.61 1.18 -0.33 0.00 0.02 0.00 0.00 61.00 62.47 3hux s PRO 16 Cb -0.11 -1.78 -0.13 0.00 0.02 0.00 0.00 34.50 32.51 3hux s PRO 16 CO 0.46 -2.38 1.57 0.87 -0.33 0.00 0.00 177.00 177.18 3hux h LYS 17 N -1.67 -0.71 -1.23 5.54 1.79 -1.97 -1.36 116.57 116.96 3hux h LYS 17 Ca -0.47 0.05 0.35 0.00 -2.18 0.00 0.00 60.65 58.40 3hux h LYS 17 Cb 1.27 0.16 -0.08 0.00 -1.58 0.00 0.00 32.23 32.00 3hux h LYS 17 CO 0.49 -0.48 0.84 0.38 -1.08 0.00 0.00 179.45 179.60 3hux h ASP 18 N -0.74 0.19 0.28 0.86 2.03 -1.97 0.89 116.42 117.96 3hux h ASP 18 Ca 0.00 0.05 -0.32 0.00 -0.73 0.00 0.00 57.03 56.03 3hux h ASP 18 Cb 0.75 0.03 0.03 0.00 -0.83 0.00 0.00 39.33 39.30 3hux h ASP 18 CO -0.26 -0.00 -1.39 1.56 -1.03 0.00 0.00 179.24 178.12 3hux h GLN 19 N 0.15 0.53 -0.16 4.15 4.20 -1.63 0.21 115.11 122.56 3hux h GLN 19 Ca 0.65 -0.85 -0.08 0.00 0.06 0.00 0.00 58.65 58.43 3hux h GLN 19 Cb 2.20 0.31 -0.01 0.00 0.30 0.00 0.00 27.48 30.27 3hux h GLN 19 CO -0.18 1.40 -0.27 0.87 -0.67 0.00 0.00 178.83 179.98 3hux h LYS 20 N 0.17 0.29 -0.47 1.46 1.57 -0.08 -2.08 116.57 117.44 3hux h LYS 20 Ca -0.22 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.35 3hux h LYS 20 Cb 2.08 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 34.35 3hux h LYS 20 CO 0.26 0.55 -0.11 0.00 -0.57 0.00 0.00 179.45 179.57 3hux h ALA 21 N 1.46 0.92 0.66 3.86 0.00 0.84 -2.34 119.26 124.66 3hux h ALA 21 Ca 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3hux h ALA 21 Cb 0.62 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hux h ALA 21 CO 0.04 0.63 -0.39 0.00 0.00 0.00 0.00 179.25 179.53 3hux h ALA 22 N 1.10 -1.21 -1.05 0.00 0.00 0.08 -1.49 119.26 116.68 3hux h ALA 22 Ca 0.13 -0.21 0.37 0.00 0.00 0.00 0.00 54.91 55.20 3hux h ALA 22 Cb 0.62 0.50 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 3hux h ALA 22 CO 0.04 -1.17 0.60 -0.07 0.00 0.00 0.00 179.25 178.65 3hux h LEU 23 N -0.98 0.42 -0.08 0.00 3.38 -1.33 1.05 115.31 117.76 3hux h LEU 23 Ca -0.09 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3hux h LEU 23 Cb 0.78 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 3hux h LEU 23 CO 0.10 -0.23 -0.06 0.50 0.09 0.00 0.00 178.44 178.83 3hux h LYS 24 N 0.19 -0.07 0.30 1.13 1.63 -0.80 0.63 116.57 119.59 3hux h LYS 24 Ca 0.78 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.58 3hux h LYS 24 Cb 1.97 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 33.58 3hux h LYS 24 CO -0.62 -0.05 -0.52 0.00 -3.45 0.00 0.00 179.45 174.81 3hux h ALA 25 N 1.00 -1.07 -0.43 5.00 0.00 0.21 0.23 119.26 124.20 3hux h ALA 25 Ca 0.05 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.94 3hux h ALA 25 Cb 0.15 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3hux h ALA 25 CO -0.13 -1.16 0.42 -0.07 0.00 0.00 0.00 179.25 178.32 3hux h LEU 26 N -0.88 0.00 0.00 0.00 3.38 -0.87 -3.44 115.31 113.50 3hux h LEU 26 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hux h LEU 26 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3hux h LEU 26 CO -0.18 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.96 3hux n GLY 27 N -1.51 0.99 3.81 0.83 0.00 0.13 -5.03 105.19 104.40 3hux n GLY 27 Ca 0.08 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 3hux n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hux s LEU 28 N 0.00 4.40 0.00 0.99 1.43 0.17 -4.97 118.68 120.70 3hux s LEU 28 Ca 0.00 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 3hux s LEU 28 Cb 0.00 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.72 3hux s LEU 28 CO 0.00 0.08 0.00 0.54 0.23 0.00 0.00 176.35 177.20 3hux n ARG 29 N 0.94 0.00 -4.64 1.70 5.12 -1.26 -4.27 116.66 114.25 3hux n ARG 29 Ca -0.03 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.57 3hux n ARG 29 Cb 0.51 -0.38 -0.07 0.00 -1.16 0.00 0.00 32.46 31.35 3hux n ARG 29 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3hux s ARG 30 N -1.88 2.17 0.41 5.56 0.52 -1.26 -5.12 118.95 119.35 3hux s ARG 30 Ca 0.00 -2.31 -0.10 0.00 -0.52 0.00 0.00 55.73 52.80 3hux s ARG 30 Cb 0.00 -1.62 -0.06 0.00 0.52 0.00 0.00 34.95 33.79 3hux s ARG 30 CO 0.00 -0.34 0.77 -0.51 0.02 0.00 0.00 175.30 175.24 3hux s LEU 31 N -3.90 3.82 -1.68 2.53 1.02 -1.26 -3.69 118.68 115.52 3hux s LEU 31 Ca 0.13 1.12 0.00 0.00 0.02 0.00 0.00 54.13 55.40 3hux s LEU 31 Cb 0.02 -4.01 0.00 0.00 0.02 0.00 0.00 46.19 42.23 3hux s LEU 31 CO 0.07 -0.41 0.00 0.00 0.02 0.00 0.00 176.35 176.03 3hux n GLN 32 N -1.36 -1.17 -3.32 1.70 1.13 0.38 -4.96 117.38 109.78 3hux n GLN 32 Ca 0.02 1.03 -0.38 0.00 -1.94 0.00 0.00 57.00 55.73 3hux n GLN 32 Cb 0.54 -5.26 -0.06 0.00 0.11 0.00 0.00 30.24 25.57 3hux n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3hux s GLN 33 N -3.65 4.30 -0.15 -1.09 0.74 -1.24 -4.89 119.66 113.67 3hux s GLN 33 Ca 0.00 0.49 -0.03 0.00 0.05 0.00 0.00 55.36 55.87 3hux s GLN 33 Cb 0.00 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 30.68 3hux s GLN 33 CO 0.00 0.23 -0.06 -1.21 -0.55 0.00 0.00 175.29 173.71 3hux s GLU 34 N 0.36 3.61 -0.06 1.67 2.02 -1.26 -1.98 118.70 123.06 3hux s GLU 34 Ca 0.27 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.69 3hux s GLU 34 Cb -0.16 -2.85 0.03 0.00 0.10 0.00 0.00 34.13 31.25 3hux s GLU 34 CO 0.12 0.24 0.03 0.50 0.02 0.00 0.00 175.26 176.16 3hux s ARG 35 N 0.36 0.27 -0.20 1.61 3.52 -0.14 -5.01 118.95 119.36 3hux s ARG 35 Ca -0.06 0.24 -0.16 0.00 -0.13 0.00 0.00 55.73 55.62 3hux s ARG 35 Cb -0.15 -0.74 -0.04 0.00 -1.56 0.00 0.00 34.95 32.47 3hux s ARG 35 CO 0.04 -0.31 0.39 0.14 -0.81 0.00 0.00 175.30 174.74 3hux s VAL 36 N 2.03 5.21 0.28 7.11 -7.23 -1.26 -2.51 120.40 124.03 3hux s VAL 36 Ca 0.04 0.68 0.04 0.00 -1.81 0.00 0.00 61.98 60.93 3hux s VAL 36 Cb -0.12 -3.72 -0.06 0.00 0.56 0.00 0.00 36.38 33.04 3hux s VAL 36 CO -0.04 0.26 0.02 -0.76 -0.31 0.00 0.00 175.10 174.27 3hux s LEU 37 N 1.28 2.18 1.04 1.32 1.43 0.42 -4.92 118.68 121.44 3hux s LEU 37 Ca 0.18 -1.29 -0.14 0.00 -1.03 0.00 0.00 54.13 51.85 3hux s LEU 37 Cb -0.15 -0.34 0.12 0.00 0.03 0.00 0.00 46.19 45.85 3hux s LEU 37 CO 0.08 -0.55 0.49 1.21 0.23 0.00 0.00 176.35 177.81 3hux n GLU 38 N -0.56 -1.14 -3.28 1.70 4.07 -1.26 0.34 120.64 120.51 3hux n GLU 38 Ca -0.03 -0.30 -0.36 0.00 -0.06 0.00 0.00 57.16 56.40 3hux n GLU 38 Cb 0.65 -1.93 -0.03 0.00 -0.06 0.00 0.00 31.44 30.06 3hux n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 3hux n ASP 39 N -2.51 5.09 -4.55 4.31 2.03 -1.16 -4.24 116.55 115.53 3hux n ASP 39 Ca 0.05 -3.36 -0.25 0.00 0.52 0.00 0.00 54.79 51.75 3hux n ASP 39 Cb 0.56 -1.03 -0.09 0.00 -0.72 0.00 0.00 41.12 39.84 3hux n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3hux s THR 40 N -2.36 3.03 0.30 5.18 -4.23 -1.26 -4.83 115.64 111.46 3hux s THR 40 Ca 0.33 -1.91 0.05 0.00 -1.18 0.00 0.00 61.69 58.99 3hux s THR 40 Cb 0.05 -2.54 0.29 0.00 1.34 0.00 0.00 72.50 71.64 3hux s THR 40 CO 0.01 -0.23 1.78 -0.65 -0.54 0.00 0.00 174.62 174.99 3hux h PRO 41 N 2.56 0.74 -0.91 3.99 0.11 -1.96 0.53 132.00 137.06 3hux h PRO 41 Ca -0.45 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3hux h PRO 41 Cb 1.23 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3hux h PRO 41 CO 0.56 0.49 0.50 0.00 -0.21 0.00 0.00 178.00 179.34 3hux h ALA 42 N 1.63 1.18 0.00 -0.75 0.00 -1.97 0.72 119.26 120.07 3hux h ALA 42 Ca 0.57 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3hux h ALA 42 Cb 0.86 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hux h ALA 42 CO -0.38 0.67 -0.02 0.82 0.00 0.00 0.00 179.25 180.34 3hux h ILE 43 N 1.27 0.00 -0.94 0.00 1.08 -1.46 -3.26 117.51 114.20 3hux h ILE 43 Ca 0.32 -0.48 0.26 0.00 -0.39 0.00 0.00 64.86 64.57 3hux h ILE 43 Cb 0.01 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.60 3hux h ILE 43 CO -0.05 0.00 0.07 -0.09 -0.69 0.00 0.00 178.15 177.39 3hux h ARG 44 N -0.48 0.05 -0.34 2.37 2.43 -0.06 1.43 114.38 119.77 3hux h ARG 44 Ca 0.00 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 3hux h ARG 44 Cb 0.02 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3hux h ARG 44 CO 0.00 0.03 0.28 0.78 -1.51 0.00 0.00 179.97 179.55 3hux h GLY 45 N 0.05 0.00 1.11 2.80 0.00 0.34 0.14 103.07 107.50 3hux h GLY 45 Ca 0.57 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.57 3hux h GLY 45 CO -0.84 0.00 -1.62 -0.57 0.00 0.00 0.00 176.54 173.51 3hux h ASN 46 N 0.00 0.54 -0.78 0.19 -0.00 0.19 -3.26 115.58 112.46 3hux h ASN 46 Ca 0.16 -0.75 -0.03 0.00 -0.00 0.00 0.00 56.30 55.69 3hux h ASN 46 Cb 0.72 -0.18 -0.04 0.00 -0.00 0.00 0.00 38.32 38.83 3hux h ASN 46 CO -0.00 1.62 0.38 0.58 -0.00 0.00 0.00 177.43 180.01 3hux h VAL 47 N 0.09 1.25 -0.87 2.57 2.07 -0.06 -1.94 116.25 119.35 3hux h VAL 47 Ca -0.29 -0.68 0.15 0.00 0.82 0.00 0.00 66.70 66.71 3hux h VAL 47 Cb 2.07 0.25 -0.09 0.00 -1.52 0.00 0.00 31.29 32.00 3hux h VAL 47 CO 0.18 0.29 0.46 -0.33 0.02 0.00 0.00 177.57 178.19 3hux h GLU 48 N 1.10 0.64 -0.16 1.57 4.39 -0.87 -1.31 114.58 119.93 3hux h GLU 48 Ca 0.27 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.85 3hux h GLU 48 Cb 0.10 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3hux h GLU 48 CO -0.04 0.42 -0.28 -0.22 -1.16 0.00 0.00 179.01 177.73 3hux h LYS 49 N 0.65 0.30 -0.89 2.33 3.64 -1.40 -2.53 116.57 118.68 3hux h LYS 49 Ca 0.47 -0.11 -0.61 0.00 -1.27 0.00 0.00 60.65 59.14 3hux h LYS 49 Cb 0.67 -0.02 -0.33 0.00 -0.41 0.00 0.00 32.23 32.14 3hux h LYS 49 CO -0.36 0.56 0.26 1.33 -2.27 0.00 0.00 179.45 178.98 3hux n VAL 50 N -4.13 3.20 0.10 2.00 0.24 -0.59 -4.74 118.33 114.42 3hux n VAL 50 Ca -0.01 -3.31 -0.15 0.00 -2.04 0.00 0.00 64.34 58.83 3hux n VAL 50 Cb 0.39 -1.09 -0.09 0.00 -1.47 0.00 0.00 33.84 31.59 3hux n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hux h ALA 51 N 1.97 -0.96 -0.29 2.33 0.00 -0.85 -1.71 119.26 119.76 3hux h ALA 51 Ca 0.51 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.38 3hux h ALA 51 Cb 1.17 0.87 -0.06 0.00 0.00 0.00 0.00 17.79 19.77 3hux h ALA 51 CO 1.25 -1.08 -0.11 1.12 0.00 0.00 0.00 179.25 180.42 3hux h HIS 52 N -0.69 -0.26 -0.07 0.00 2.07 -1.85 -2.93 115.15 111.42 3hux h HIS 52 Ca -0.01 0.03 -0.11 0.00 -2.85 0.00 0.00 60.37 57.43 3hux h HIS 52 Cb 0.69 0.16 -0.01 0.00 2.57 0.00 0.00 27.41 30.82 3hux h HIS 52 CO -0.44 -0.18 -0.46 -0.07 -3.07 0.00 0.00 177.93 173.71 3hux h LEU 53 N -0.06 0.18-10.00 6.12 3.38 -1.84 -3.45 115.31 109.63 3hux h LEU 53 Ca 0.15 -0.08 -0.50 0.00 0.09 0.00 0.00 57.88 57.54 3hux h LEU 53 Cb 0.28 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3hux h LEU 53 CO -0.33 0.62 -0.48 -0.69 0.09 0.00 0.00 178.44 177.65 3hux s VAL 54 N -4.03 3.99 -0.12 1.22 1.01 -0.65 -0.93 120.40 120.89 3hux s VAL 54 Ca -0.04 -1.36 0.03 0.00 0.00 0.00 0.00 61.98 60.61 3hux s VAL 54 Cb 0.13 -3.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 3hux s VAL 54 CO 0.77 -0.25 -0.20 -0.13 0.00 0.00 0.00 175.10 175.28 3hux s ARG 55 N -3.94 3.13 -0.04 2.72 0.52 -0.19 -4.80 118.95 116.36 3hux s ARG 55 Ca 0.38 -0.82 0.03 0.00 -0.52 0.00 0.00 55.73 54.80 3hux s ARG 55 Cb -0.07 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 32.95 3hux s ARG 55 CO 0.26 0.14 -0.13 0.08 0.02 0.00 0.00 175.30 175.68 3hux s VAL 56 N 0.46 3.21 0.15 3.52 1.01 -1.26 -0.37 120.40 127.12 3hux s VAL 56 Ca -0.14 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3hux s VAL 56 Cb -0.17 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 3hux s VAL 56 CO 0.06 0.55 -0.09 -0.70 0.00 0.00 0.00 175.10 174.92 3hux s GLU 57 N -0.88 1.08 -0.33 2.72 2.12 -0.49 -4.98 118.70 117.94 3hux s GLU 57 Ca 0.12 -1.47 -0.03 0.00 0.36 0.00 0.00 54.97 53.95 3hux s GLU 57 Cb -0.11 -0.60 0.06 0.00 0.26 0.00 0.00 34.13 33.74 3hux s GLU 57 CO 0.02 0.05 0.07 0.08 -0.54 0.00 0.00 175.26 174.94 3hux s VAL 58 N -3.35 3.25 0.39 3.70 1.01 -1.26 -1.31 120.40 122.83 3hux s VAL 58 Ca 0.18 -1.45 0.05 0.00 0.00 0.00 0.00 61.98 60.76 3hux s VAL 58 Cb 0.03 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.41 3hux s VAL 58 CO 0.01 -0.24 0.03 -0.69 0.00 0.00 0.00 175.10 174.21 3hux s VAL 59 N 1.27 1.60 0.00 2.92 1.01 -1.15 -4.98 120.40 121.06 3hux s VAL 59 Ca -0.02 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.96 3hux s VAL 59 Cb -0.20 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3hux s VAL 59 CO -0.01 0.00 0.00 -0.62 0.00 0.00 0.00 175.10 174.47