#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hux n LYS 2 N 0.00 0.00 -4.43 0.03 5.02 -1.26 -4.59 118.16 112.93 3hux n LYS 2 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 3hux n LYS 2 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 3hux n LYS 2 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3hux s GLY 3 N 0.00 1.88 -0.30 0.72 0.00 -1.26 -2.17 107.32 106.19 3hux s GLY 3 Ca 0.00 -1.93 -0.21 0.00 0.00 0.00 0.00 44.72 42.57 3hux s GLY 3 CO 0.00 -1.84 1.34 -1.50 0.00 0.00 0.00 173.10 171.10 3hux s ILE 4 N -3.07 0.00 -0.07 0.90 1.10 -0.54 -4.97 121.20 114.55 3hux s ILE 4 Ca 0.31 0.00 -0.14 0.00 -0.51 0.00 0.00 60.65 60.31 3hux s ILE 4 Cb 0.05 -1.00 -0.05 0.00 0.15 0.00 0.00 42.46 41.61 3hux s ILE 4 CO 0.12 0.00 0.34 -0.76 -2.11 0.00 0.00 174.94 172.54 3hux s LEU 5 N 0.46 4.38 0.00 8.50 1.43 -1.26 -0.52 118.68 131.66 3hux s LEU 5 Ca 0.01 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 3hux s LEU 5 Cb -0.04 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.72 3hux s LEU 5 CO -0.13 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.30 3hux n GLY 6 N 2.42 4.11 2.85 -3.19 0.00 -0.82 -4.10 105.19 106.45 3hux n GLY 6 Ca -0.14 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 3hux n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hux s VAL 7 N -1.86 0.11 -0.47 1.61 -7.23 -0.94 -1.66 120.40 109.97 3hux s VAL 7 Ca 0.00 0.04 -0.26 0.00 -1.81 0.00 0.00 61.98 59.94 3hux s VAL 7 Cb 0.00 -0.17 -0.06 0.00 0.56 0.00 0.00 36.38 36.71 3hux s VAL 7 CO 0.00 0.09 2.30 -0.75 -0.31 0.00 0.00 175.10 176.42 3hux s LYS 8 N 0.55 2.32 -0.02 4.82 2.20 0.80 -2.18 119.74 128.22 3hux s LYS 8 Ca -0.05 1.37 -0.06 0.00 -0.36 0.00 0.00 55.97 56.87 3hux s LYS 8 Cb -0.08 -4.52 -0.29 0.00 -1.51 0.00 0.00 37.83 31.43 3hux s LYS 8 CO -0.01 -3.04 0.77 -0.24 -0.36 0.00 0.00 175.35 172.46 3hux h VAL 9 N 7.50 1.05 0.00 4.02 3.04 -1.43 0.84 116.25 131.26 3hux h VAL 9 Ca -0.27 -2.67 0.00 0.00 -1.01 0.00 0.00 66.70 62.75 3hux h VAL 9 Cb 1.25 2.75 0.00 0.00 -2.01 0.00 0.00 31.29 33.27 3hux h VAL 9 CO 1.14 0.82 0.00 0.61 -1.01 0.00 0.00 177.57 179.14 3hux n GLY 10 N 1.75 2.69 3.31 3.17 0.00 -1.15 -4.69 105.19 110.27 3hux n GLY 10 Ca -0.20 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.70 3hux n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3hux s MET 11 N -2.00 1.22 0.00 1.61 0.23 -1.26 0.80 119.30 119.90 3hux s MET 11 Ca 0.00 -1.43 0.00 0.00 -1.03 0.00 0.00 55.69 53.23 3hux s MET 11 Cb 0.00 -1.12 0.00 0.00 -1.53 0.00 0.00 34.83 32.18 3hux s MET 11 CO 0.00 0.21 0.00 0.25 -2.03 0.00 0.00 175.02 173.45 3hux n THR 12 N 0.09 0.00 -3.62 3.16 -2.24 -0.10 -4.97 114.28 106.60 3hux n THR 12 Ca -0.12 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.50 3hux n THR 12 Cb 0.58 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.74 3hux n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hux s ARG 13 N 2.29 0.89 0.00 -0.78 1.70 -1.26 -0.86 118.95 120.93 3hux s ARG 13 Ca 0.00 0.12 0.00 0.00 -0.47 0.00 0.00 55.73 55.38 3hux s ARG 13 Cb 0.00 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 3hux s ARG 13 CO 0.00 -0.26 0.00 0.44 -1.08 0.00 0.00 175.30 174.40 3hux n ILE 14 N 1.14 0.00 -3.89 4.99 -5.35 -1.15 -4.90 119.36 110.19 3hux n ILE 14 Ca -0.20 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.18 3hux n ILE 14 Cb 0.57 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.37 3hux n ILE 14 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3hux s PHE 15 N 1.14 0.08 -0.25 4.28 0.08 -1.26 -2.19 117.98 119.85 3hux s PHE 15 Ca 0.00 -0.20 -0.02 0.00 0.12 0.00 0.00 56.93 56.83 3hux s PHE 15 Cb 0.00 -0.07 0.14 0.00 -0.57 0.00 0.00 43.02 42.51 3hux s PHE 15 CO 0.00 -0.27 0.38 1.03 -0.10 0.00 0.00 175.22 176.26 3hux s ARG 16 N -1.39 0.35 5.62 0.44 0.52 -0.17 -4.97 118.95 119.35 3hux s ARG 16 Ca -0.15 0.45 0.00 0.00 -0.52 0.00 0.00 55.73 55.51 3hux s ARG 16 Cb -0.08 -0.48 0.00 0.00 0.52 0.00 0.00 34.95 34.91 3hux s ARG 16 CO 0.01 -0.71 0.00 -0.25 0.02 0.00 0.00 175.30 174.37 3hux n ASP 17 N 5.36 0.00 -1.52 0.23 10.43 -1.26 -3.20 116.55 126.59 3hux n ASP 17 Ca -0.03 0.00 -0.10 0.00 2.57 0.00 0.00 54.79 57.23 3hux n ASP 17 Cb 0.50 0.00 0.20 0.00 1.84 0.00 0.00 41.12 43.66 3hux n ASP 17 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3hux n ASP 18 N 6.51 2.99 -4.01 -2.24 8.00 -1.26 -4.97 116.55 121.57 3hux n ASP 18 Ca 0.00 -3.69 -0.16 0.00 0.71 0.00 0.00 54.79 51.65 3hux n ASP 18 Cb 0.00 -0.70 -0.14 0.00 -0.02 0.00 0.00 41.12 40.26 3hux n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hux s ARG 19 N -3.25 0.53 0.08 -1.24 1.70 -1.19 -5.13 118.95 110.45 3hux s ARG 19 Ca 0.49 -0.38 -0.19 0.00 -0.47 0.00 0.00 55.73 55.18 3hux s ARG 19 Cb 0.43 -0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 34.27 3hux s ARG 19 CO 0.04 0.12 0.57 0.00 -1.08 0.00 0.00 175.30 174.95 3hux s ALA 20 N -0.48 3.59 -0.11 7.88 0.00 -1.26 -1.00 121.76 130.38 3hux s ALA 20 Ca -0.01 0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.99 3hux s ALA 20 Cb -0.04 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 20.46 3hux s ALA 20 CO 0.00 0.40 -0.14 0.14 0.00 0.00 0.00 175.76 176.16 3hux s VAL 21 N -1.14 1.43 -1.01 0.00 -7.23 -0.93 -4.96 120.40 106.56 3hux s VAL 21 Ca 0.30 -0.58 -0.25 0.00 -1.81 0.00 0.00 61.98 59.63 3hux s VAL 21 Cb -0.19 -1.33 -0.13 0.00 0.56 0.00 0.00 36.38 35.29 3hux s VAL 21 CO 0.19 0.43 2.08 -2.16 -0.31 0.00 0.00 175.10 175.33 3hux s PRO 22 N 1.17 1.98 0.34 4.82 0.04 -1.26 -2.95 135.00 139.13 3hux s PRO 22 Ca -0.03 -0.43 0.02 0.00 0.04 0.00 0.00 61.00 60.60 3hux s PRO 22 Cb -0.14 -5.04 -0.02 0.00 0.04 0.00 0.00 34.50 29.33 3hux s PRO 22 CO -0.04 -4.35 0.52 0.14 0.04 0.00 0.00 177.00 173.32 3hux s VAL 23 N 13.17 4.84 -0.02 -0.36 -7.23 -0.04 -2.36 120.40 128.40 3hux s VAL 23 Ca 0.77 -0.63 0.04 0.00 -1.81 0.00 0.00 61.98 60.36 3hux s VAL 23 Cb -0.06 -3.75 -0.01 0.00 0.56 0.00 0.00 36.38 33.13 3hux s VAL 23 CO 0.10 -0.44 -0.14 0.28 -0.31 0.00 0.00 175.10 174.59 3hux s THR 24 N -2.28 1.16 -0.05 5.32 -1.32 0.15 -0.93 115.64 117.69 3hux s THR 24 Ca 0.41 -0.60 -0.06 0.00 -1.21 0.00 0.00 61.69 60.23 3hux s THR 24 Cb -0.10 -0.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 3hux s THR 24 CO 0.34 0.33 0.20 -0.69 -2.21 0.00 0.00 174.62 172.60 3hux s VAL 25 N -0.12 5.40 -0.07 5.08 1.01 0.24 -0.66 120.40 131.27 3hux s VAL 25 Ca 0.01 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 3hux s VAL 25 Cb -0.08 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.82 3hux s VAL 25 CO 0.00 0.47 -0.04 -0.63 0.00 0.00 0.00 175.10 174.90 3hux s ILE 26 N -1.19 0.64 -0.88 2.22 1.01 -0.44 -1.11 121.20 121.45 3hux s ILE 26 Ca 0.22 -0.10 -0.22 0.00 0.00 0.00 0.00 60.65 60.55 3hux s ILE 26 Cb -0.13 -0.70 0.08 0.00 0.01 0.00 0.00 42.46 41.72 3hux s ILE 26 CO 0.12 0.28 1.23 -0.22 0.00 0.00 0.00 174.94 176.35 3hux s LEU 27 N 1.45 4.10 -1.20 2.97 2.96 -0.93 -1.79 118.68 126.24 3hux s LEU 27 Ca -0.02 -1.40 -0.05 0.00 -0.22 0.00 0.00 54.13 52.44 3hux s LEU 27 Cb -0.13 -2.49 0.21 0.00 0.50 0.00 0.00 46.19 44.28 3hux s LEU 27 CO -0.03 -1.41 1.93 0.00 -1.32 0.00 0.00 176.35 175.51 3hux n ALA 28 N 8.01 5.88 -0.63 5.97 0.00 0.43 -2.21 120.51 137.95 3hux n ALA 28 Ca 0.19 -4.42 -0.17 0.00 0.00 0.00 0.00 53.44 49.04 3hux n ALA 28 Cb 0.49 -2.63 0.10 0.00 0.00 0.00 0.00 19.45 17.41 3hux n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hux n GLY 29 N 1.63 -2.19 3.59 0.00 0.00 -1.25 -3.96 105.19 103.00 3hux n GLY 29 Ca 0.44 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 45.45 3hux n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hux n PRO 30 N -0.51 1.94 -3.45 1.61 -0.02 -1.26 -4.70 135.00 128.61 3hux n PRO 30 Ca 0.03 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.68 3hux n PRO 30 Cb 0.33 -2.96 -0.08 0.00 -0.02 0.00 0.00 33.50 30.76 3hux n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hux s PRO 32 N 1.59 3.38 -0.62 0.00 0.02 -1.24 0.15 135.00 138.28 3hux s PRO 32 Ca 0.04 0.53 -0.26 0.00 0.02 0.00 0.00 61.00 61.33 3hux s PRO 32 Cb -0.23 -4.09 -0.08 0.00 0.02 0.00 0.00 34.50 30.11 3hux s PRO 32 CO 0.06 -1.83 2.31 0.54 -0.33 0.00 0.00 177.00 177.75 3hux s VAL 33 N 5.81 3.08 0.21 3.83 0.11 -1.26 -2.15 120.40 130.03 3hux s VAL 33 Ca 0.53 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.64 3hux s VAL 33 Cb -0.11 -3.19 -0.09 0.00 -1.53 0.00 0.00 36.38 31.46 3hux s VAL 33 CO 0.27 -0.18 1.48 -0.37 -3.33 0.00 0.00 175.10 172.97 3hux h VAL 34 N 7.57 1.47 -2.57 2.04 -1.51 -1.87 -3.44 116.25 117.94 3hux h VAL 34 Ca -0.15 -2.38 -0.10 0.00 -1.23 0.00 0.00 66.70 62.84 3hux h VAL 34 Cb 1.16 2.28 -0.22 0.00 -2.13 0.00 0.00 31.29 32.39 3hux h VAL 34 CO 1.13 0.69 -0.12 -1.58 -1.23 0.00 0.00 177.57 176.46 3hux s GLN 35 N -3.42 0.65 -0.01 5.19 0.74 -1.26 -4.51 119.66 117.03 3hux s GLN 35 Ca -0.02 0.47 0.05 0.00 0.05 0.00 0.00 55.36 55.91 3hux s GLN 35 Cb 0.11 0.31 -0.03 0.00 1.10 0.00 0.00 33.01 34.51 3hux s GLN 35 CO 0.80 -0.12 -0.15 0.50 -0.55 0.00 0.00 175.29 175.76 3hux s ARG 36 N -0.21 2.35 -0.50 1.67 3.52 -1.26 0.10 118.95 124.62 3hux s ARG 36 Ca -0.04 -0.80 -0.11 0.00 -0.13 0.00 0.00 55.73 54.65 3hux s ARG 36 Cb -0.03 -2.31 0.12 0.00 -1.56 0.00 0.00 34.95 31.17 3hux s ARG 36 CO 0.02 0.59 0.39 1.03 -0.81 0.00 0.00 175.30 176.53 3hux s ARG 37 N -1.02 2.63 0.16 5.12 1.81 -1.09 -4.98 118.95 121.59 3hux s ARG 37 Ca 0.13 -1.76 -0.28 0.00 -1.72 0.00 0.00 55.73 52.09 3hux s ARG 37 Cb -0.11 -4.04 -0.07 0.00 -0.45 0.00 0.00 34.95 30.28 3hux s ARG 37 CO 0.03 -1.23 0.88 0.95 -0.68 0.00 0.00 175.30 175.24 3hux s THR 38 N 1.40 4.34 0.29 0.02 -4.23 -1.26 -1.83 115.64 114.37 3hux s THR 38 Ca 0.05 1.92 0.04 0.00 -1.18 0.00 0.00 61.69 62.52 3hux s THR 38 Cb -0.27 -4.25 0.29 0.00 1.34 0.00 0.00 72.50 69.61 3hux s THR 38 CO 0.00 0.45 1.78 -0.65 -0.54 0.00 0.00 174.62 175.66 3hux h PRO 39 N 4.73 0.75 -0.40 3.99 0.11 -1.89 0.11 132.00 139.40 3hux h PRO 39 Ca -0.45 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.67 3hux h PRO 39 Cb 1.20 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 3hux h PRO 39 CO 0.69 0.50 0.12 1.05 -0.21 0.00 0.00 178.00 180.14 3hux h GLU 40 N 0.77 0.25 0.00 1.05 9.09 -1.93 -0.54 114.58 123.28 3hux h GLU 40 Ca 0.55 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.94 3hux h GLU 40 Cb 0.80 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 3hux h GLU 40 CO -0.36 0.17 -0.16 0.87 0.05 0.00 0.00 179.01 179.57 3hux h LYS 41 N 0.26 0.00 -0.00 1.06 1.57 -1.64 -3.40 116.57 114.42 3hux h LYS 41 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3hux h LYS 41 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3hux h LYS 41 CO -0.21 0.00 -0.00 -0.25 -0.57 0.00 0.00 179.45 178.42 3hux n ASP 42 N -3.13 0.01 -0.21 0.86 8.00 0.27 -4.94 116.55 117.41 3hux n ASP 42 Ca -0.02 -0.25 -0.03 0.00 0.71 0.00 0.00 54.79 55.20 3hux n ASP 42 Cb 0.08 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 40.92 3hux n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hux n GLY 43 N 1.25 0.58 0.00 0.44 0.00 -0.21 -4.85 105.19 102.41 3hux n GLY 43 Ca 0.15 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3hux n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3hux n TYR 44 N -2.79 0.00 -0.03 1.61 4.11 -1.26 -4.87 117.16 113.92 3hux n TYR 44 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.87 3hux n TYR 44 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.49 3hux n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 3hux n THR 45 N -1.09 -0.20 -1.53 -3.48 -1.04 -0.76 -4.75 114.28 101.42 3hux n THR 45 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hux n THR 45 Cb 0.00 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 3hux n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hux n ALA 46 N 2.58 0.00 -3.61 2.41 0.00 -1.12 -3.32 120.51 117.45 3hux n ALA 46 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3hux n ALA 46 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 3hux n ALA 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hux s VAL 47 N -2.46 0.17 -0.36 0.00 1.01 -1.25 -2.68 120.40 114.82 3hux s VAL 47 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.06 3hux s VAL 47 Cb 0.00 -0.25 0.40 0.00 0.00 0.00 0.00 36.38 36.53 3hux s VAL 47 CO 0.00 0.13 1.77 1.67 0.00 0.00 0.00 175.10 178.67 3hux n GLN 48 N 4.00 1.96 -0.67 2.72 7.27 0.29 -1.40 117.38 131.54 3hux n GLN 48 Ca -0.25 -2.11 -0.23 0.00 0.07 0.00 0.00 57.00 54.47 3hux n GLN 48 Cb 0.51 -1.83 -0.02 0.00 2.41 0.00 0.00 30.24 31.32 3hux n GLN 48 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3hux n LEU 49 N -0.44 -0.52 -4.91 1.69 4.32 -1.24 -4.12 117.00 111.78 3hux n LEU 49 Ca 0.41 0.54 -0.20 0.00 -0.02 0.00 0.00 56.01 56.74 3hux n LEU 49 Cb 1.04 -0.45 -0.02 0.00 -1.62 0.00 0.00 43.42 42.37 3hux n LEU 49 CO 0.46 -1.36 0.00 -0.83 -1.22 0.00 0.00 177.39 174.45 3hux s GLY 50 N -0.42 1.89 0.11 -0.72 0.00 -0.91 -2.61 107.32 104.65 3hux s GLY 50 Ca 0.32 -1.70 -0.13 0.00 0.00 0.00 0.00 44.72 43.22 3hux s GLY 50 CO 0.27 -1.57 0.30 -0.12 0.00 0.00 0.00 173.10 171.98 3hux s PHE 51 N -2.34 -0.04 0.01 1.90 5.99 -1.23 -3.71 117.98 118.55 3hux s PHE 51 Ca 0.46 -0.33 -0.00 0.00 0.00 0.00 0.00 56.93 57.05 3hux s PHE 51 Cb -0.06 0.11 0.00 0.00 0.00 0.00 0.00 43.02 43.07 3hux s PHE 51 CO 0.29 -0.63 0.01 -0.11 -0.00 0.00 0.00 175.22 174.78 3hux n LEU 52 N -0.15 -5.39 -4.51 6.12 7.94 -1.26 -2.78 117.00 116.97 3hux n LEU 52 Ca -0.16 2.07 -0.38 0.00 -1.11 0.00 0.00 56.01 56.44 3hux n LEU 52 Cb 0.63 -2.65 0.05 0.00 0.53 0.00 0.00 43.42 41.97 3hux n LEU 52 CO 0.20 -2.19 0.19 -2.65 -1.11 0.00 0.00 177.39 171.83 3hux n PRO 53 N 1.34 0.58 0.00 1.96 -0.02 -1.26 0.21 135.00 137.80 3hux n PRO 53 Ca -0.02 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3hux n PRO 53 Cb 0.03 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3hux n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hux n GLN 54 N -0.41 0.00 0.00 -0.52 10.64 -1.25 -4.08 117.38 121.77 3hux n GLN 54 Ca 0.12 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.29 3hux n GLN 54 Cb 0.48 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.86 3hux n GLN 54 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3hux n ASN 55 N -1.31 0.00 -2.47 2.61 5.03 -1.26 -3.65 115.26 114.21 3hux n ASN 55 Ca 0.00 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.44 3hux n ASN 55 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 38.75 3hux n ASN 55 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 3hux n PRO 56 N 0.00 0.13 -3.02 3.52 -0.02 -1.26 -4.30 135.00 130.05 3hux n PRO 56 Ca 0.00 -0.07 -0.12 0.00 -2.02 0.00 0.00 63.50 61.29 3hux n PRO 56 Cb 0.00 -1.53 0.01 0.00 -0.02 0.00 0.00 33.50 31.96 3hux n PRO 56 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hux n LYS 57 N 2.97 -2.27 -0.11 -0.52 5.02 -1.26 -4.88 118.16 117.11 3hux n LYS 57 Ca 0.03 1.95 0.04 0.00 -2.02 0.00 0.00 58.31 58.31 3hux n LYS 57 Cb 0.06 -4.12 0.10 0.00 -0.02 0.00 0.00 35.03 31.05 3hux n LYS 57 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hux n ARG 58 N 0.21 2.45 -0.02 1.97 1.74 -1.26 -4.98 116.66 116.77 3hux n ARG 58 Ca 0.03 -1.76 0.00 0.00 -0.77 0.00 0.00 57.85 55.35 3hux n ARG 58 Cb 0.40 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 3hux n ARG 58 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3hux n VAL 59 N 0.29 0.00 0.00 1.55 3.14 -1.26 -5.09 118.33 116.96 3hux n VAL 59 Ca 0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 3hux n VAL 59 Cb 0.35 -1.94 0.00 0.00 -1.06 0.00 0.00 33.84 31.19 3hux n VAL 59 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3hux n ASN 60 N -1.12 0.00 -0.05 6.55 6.94 -1.26 -4.99 115.26 121.33 3hux n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3hux n ASN 60 Cb 0.00 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.43 3hux n ASN 60 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 3hux n ARG 61 N 0.00 -0.02 -2.40 -3.83 0.63 -1.26 -0.72 116.66 109.06 3hux n ARG 61 Ca 0.00 0.20 -0.43 0.00 -0.92 0.00 0.00 57.85 56.70 3hux n ARG 61 Cb 0.00 -0.29 0.00 0.00 0.45 0.00 0.00 32.46 32.62 3hux n ARG 61 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3hux n PRO 62 N -4.19 3.26 0.01 -0.14 -0.04 -1.26 -4.49 135.00 128.14 3hux n PRO 62 Ca 0.02 -3.31 -0.10 0.00 -0.04 0.00 0.00 63.50 60.07 3hux n PRO 62 Cb 0.05 -3.20 -0.14 0.00 -0.04 0.00 0.00 33.50 30.18 3hux n PRO 62 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3hux h LEU 63 N 10.11 0.07 -2.64 1.53 6.46 -1.34 -3.47 115.31 126.03 3hux h LEU 63 Ca 0.44 -0.11 -0.24 0.00 -0.12 0.00 0.00 57.88 57.85 3hux h LEU 63 Cb 0.76 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.61 3hux h LEU 63 CO 1.56 1.10 -0.38 1.17 -0.62 0.00 0.00 178.44 181.26 3hux n LYS 64 N -3.19 -0.88 -1.48 1.25 4.81 -1.26 -4.64 118.16 112.76 3hux n LYS 64 Ca -0.13 -0.09 -0.36 0.00 -0.87 0.00 0.00 58.31 56.86 3hux n LYS 64 Cb 1.02 -1.00 0.07 0.00 0.02 0.00 0.00 35.03 35.14 3hux n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hux n GLY 65 N -1.53 5.71 0.08 3.14 0.00 -1.26 -4.29 105.19 107.05 3hux n GLY 65 Ca -0.10 -2.32 -0.07 0.00 0.00 0.00 0.00 46.02 43.54 3hux n GLY 65 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3hux h HIS 66 N 2.28 0.00 -1.79 1.61 6.17 -1.93 -3.47 115.15 118.02 3hux h HIS 66 Ca 0.59 0.00 -0.47 0.00 0.71 0.00 0.00 60.37 61.20 3hux h HIS 66 Cb 0.59 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.51 3hux h HIS 66 CO 1.35 0.92 -0.38 -0.06 0.71 0.00 0.00 177.93 180.46 3hux s PHE 67 N -2.67 2.99 0.04 5.26 0.40 -1.26 -5.02 117.98 117.71 3hux s PHE 67 Ca -0.04 -0.28 -0.12 0.00 -0.60 0.00 0.00 56.93 55.89 3hux s PHE 67 Cb 0.08 -1.94 -0.05 0.00 0.51 0.00 0.00 43.02 41.62 3hux s PHE 67 CO 0.82 0.05 1.20 0.00 0.70 0.00 0.00 175.22 177.98 3hux h ALA 68 N 1.04 -0.70 0.00 5.36 0.00 -1.90 -1.29 119.26 121.77 3hux h ALA 68 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3hux h ALA 68 Cb 1.26 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3hux h ALA 68 CO 0.55 -0.75 0.00 1.63 0.00 0.00 0.00 179.25 180.68 3hux n LYS 69 N -3.52 0.03 -0.20 0.00 5.02 -1.26 -3.38 118.16 114.86 3hux n LYS 69 Ca -0.03 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.39 3hux n LYS 69 Cb 0.14 -1.43 0.44 0.00 -0.02 0.00 0.00 35.03 34.17 3hux n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hux h ALA 70 N 1.88 1.97 0.00 7.82 0.00 -1.54 -3.45 119.26 125.94 3hux h ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hux h ALA 70 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hux h ALA 70 CO 0.00 -0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.49 3hux n GLY 71 N -1.48 0.00 0.35 0.00 0.00 -1.22 -1.39 105.19 101.45 3hux n GLY 71 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3hux n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hux n VAL 72 N 0.11 0.00 0.00 1.61 0.31 -1.26 -4.26 118.33 114.84 3hux n VAL 72 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3hux n VAL 72 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3hux n VAL 72 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3hux n GLU 73 N -0.07 0.00 -2.35 5.55 4.07 -0.49 -3.80 120.64 123.55 3hux n GLU 73 Ca 0.00 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.73 3hux n GLU 73 Cb 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.36 3hux n GLU 73 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3hux s PRO 74 N 0.00 3.89 0.00 5.31 0.04 -1.26 -4.11 135.00 138.88 3hux s PRO 74 Ca 0.00 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.73 3hux s PRO 74 Cb 0.00 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.09 3hux s PRO 74 CO 0.00 -0.42 0.00 0.28 0.04 0.00 0.00 177.00 176.90 3hux n VAL 75 N -0.35 0.00 -0.01 -0.36 0.31 0.55 -4.07 118.33 114.40 3hux n VAL 75 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3hux n VAL 75 Cb 0.49 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 3hux n VAL 75 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3hux n ARG 76 N 0.00 0.00 0.00 5.55 1.74 -1.26 -4.51 116.66 118.18 3hux n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hux n ARG 76 Cb 0.00 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.43 3hux n ARG 76 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3hux n ILE 77 N 0.03 0.00 -4.09 0.55 5.41 -1.26 -4.71 119.36 115.29 3hux n ILE 77 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 3hux n ILE 77 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.82 3hux n ILE 77 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 3hux s LEU 78 N 0.00 2.36 -0.02 1.39 0.05 -1.26 -3.51 118.68 117.69 3hux s LEU 78 Ca 0.00 -0.74 -0.08 0.00 0.05 0.00 0.00 54.13 53.36 3hux s LEU 78 Cb 0.00 -0.08 0.01 0.00 -2.05 0.00 0.00 46.19 44.07 3hux s LEU 78 CO 0.00 -0.34 0.18 -0.13 -0.55 0.00 0.00 176.35 175.51 3hux s ARG 79 N -2.54 0.46 0.51 1.48 3.00 -1.07 -5.02 118.95 115.77 3hux s ARG 79 Ca -0.02 -0.22 -0.18 0.00 0.00 0.00 0.00 55.73 55.32 3hux s ARG 79 Cb -0.03 0.20 -0.08 0.00 0.00 0.00 0.00 34.95 35.03 3hux s ARG 79 CO -0.02 -0.11 0.99 -1.21 0.00 0.00 0.00 175.30 174.95 3hux s GLU 80 N -1.04 3.90 -0.43 3.54 2.02 -1.24 -3.65 118.70 121.80 3hux s GLU 80 Ca -0.11 1.06 0.04 0.00 0.02 0.00 0.00 54.97 55.97 3hux s GLU 80 Cb -0.06 -2.13 0.45 0.00 0.10 0.00 0.00 34.13 32.49 3hux s GLU 80 CO 0.02 -0.31 1.44 -0.89 0.02 0.00 0.00 175.26 175.53 3hux n ILE 81 N -1.41 2.85 -1.41 -1.63 2.08 -0.49 -4.90 119.36 114.45 3hux n ILE 81 Ca 0.07 -3.98 0.00 0.00 0.56 0.00 0.00 62.75 59.40 3hux n ILE 81 Cb 0.54 -1.17 0.00 0.00 -0.75 0.00 0.00 39.64 38.26 3hux n ILE 81 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3hux n ARG 82 N -0.73 0.00 -1.40 0.38 0.00 -1.26 -4.22 116.66 109.43 3hux n ARG 82 Ca 0.49 0.00 -0.52 0.00 -0.00 0.00 0.00 57.85 57.81 3hux n ARG 82 Cb 0.82 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 33.19 3hux n ARG 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3hux n ASP 83 N -3.72 1.72 0.00 6.15 8.00 -1.21 -4.00 116.55 123.49 3hux n ASP 83 Ca 0.00 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.95 3hux n ASP 83 Cb 0.00 -1.17 0.00 0.00 -0.02 0.00 0.00 41.12 39.93 3hux n ASP 83 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3hux n PHE 84 N 9.44 0.00 -3.73 1.24 -0.00 -1.26 -3.07 117.46 120.08 3hux n PHE 84 Ca 0.46 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.61 3hux n PHE 84 Cb 0.16 0.00 -0.15 0.00 -0.00 0.00 0.00 39.48 39.49 3hux n PHE 84 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 3hux s ASN 85 N 0.00 3.88 0.85 -2.13 3.84 -1.26 -3.91 114.94 116.21 3hux s ASN 85 Ca 0.00 -1.52 -0.11 0.00 0.21 0.00 0.00 52.86 51.44 3hux s ASN 85 Cb 0.00 -0.81 0.11 0.00 -0.55 0.00 0.00 41.25 40.00 3hux s ASN 85 CO 0.00 -0.40 1.14 -2.84 -2.79 0.00 0.00 177.10 172.21 3hux s PRO 86 N 1.67 1.49 0.05 0.43 0.02 -1.26 -4.88 135.00 132.52 3hux s PRO 86 Ca 0.08 1.48 0.04 0.00 0.02 0.00 0.00 61.00 62.62 3hux s PRO 86 Cb -0.17 -1.79 0.20 0.00 0.02 0.00 0.00 34.50 32.77 3hux s PRO 86 CO -0.24 -2.27 1.12 -0.85 -0.33 0.00 0.00 177.00 174.43 3hux n GLU 87 N -3.84 0.02 0.00 5.54 0.28 -1.26 -4.88 120.64 116.50 3hux n GLU 87 Ca 0.11 0.52 0.00 0.00 -0.16 0.00 0.00 57.16 57.63 3hux n GLU 87 Cb 0.52 -1.58 0.00 0.00 1.43 0.00 0.00 31.44 31.81 3hux n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3hux n GLY 88 N -1.44 2.64 3.08 -1.84 0.00 -1.26 -5.08 105.19 101.29 3hux n GLY 88 Ca -0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 46.02 44.22 3hux n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hux n ASP 89 N 0.00 -6.90 0.00 1.61 2.03 -1.26 -4.87 116.55 107.16 3hux n ASP 89 Ca 0.00 0.64 0.00 0.00 0.52 0.00 0.00 54.79 55.95 3hux n ASP 89 Cb 0.00 -2.49 0.00 0.00 -0.72 0.00 0.00 41.12 37.91 3hux n ASP 89 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3hux n THR 90 N 1.11 -0.87 -5.22 5.18 -1.04 -1.24 -4.91 114.28 107.29 3hux n THR 90 Ca -0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 3hux n THR 90 Cb 0.39 -0.76 -0.17 0.00 -1.82 0.00 0.00 70.33 67.97 3hux n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3hux s VAL 91 N -0.99 2.01 0.07 12.58 1.01 0.40 -4.89 120.40 130.58 3hux s VAL 91 Ca 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.97 3hux s VAL 91 Cb 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3hux s VAL 91 CO 0.00 0.56 -0.07 0.42 0.00 0.00 0.00 175.10 176.01 3hux s THR 92 N -0.01 0.58 0.13 3.92 -4.23 -1.26 0.50 115.64 115.27 3hux s THR 92 Ca -0.08 -1.61 0.04 0.00 -1.18 0.00 0.00 61.69 58.86 3hux s THR 92 Cb -0.15 -1.27 0.15 0.00 1.34 0.00 0.00 72.50 72.57 3hux s THR 92 CO 0.05 -0.71 0.60 0.52 -0.54 0.00 0.00 174.62 174.53 3hux n VAL 93 N 0.51 -0.16 0.06 2.29 0.31 -1.25 0.62 118.33 120.71 3hux n VAL 93 Ca -0.16 0.81 0.03 0.00 -0.01 0.00 0.00 64.34 65.00 3hux n VAL 93 Cb 0.59 -1.23 0.15 0.00 -0.91 0.00 0.00 33.84 32.44 3hux n VAL 93 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hux n GLU 94 N -4.15 0.04 -0.01 5.55 1.02 -1.26 -0.88 120.64 120.95 3hux n GLU 94 Ca 0.11 0.44 0.09 0.00 -0.02 0.00 0.00 57.16 57.78 3hux n GLU 94 Cb 0.37 -1.79 0.50 0.00 -0.02 0.00 0.00 31.44 30.51 3hux n GLU 94 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3hux h ILE 95 N 0.00 0.97 -3.16 -3.67 5.03 -0.24 -3.41 117.51 113.03 3hux h ILE 95 Ca 0.00 -0.13 -0.65 0.00 -0.12 0.00 0.00 64.86 63.96 3hux h ILE 95 Cb 0.33 0.55 -0.10 0.00 -3.03 0.00 0.00 36.82 34.58 3hux h ILE 95 CO 0.00 0.07 -0.59 -0.36 -0.68 0.00 0.00 178.15 176.59 3hux s PHE 96 N -5.36 3.22 0.08 1.37 0.08 -0.06 -5.07 117.98 112.24 3hux s PHE 96 Ca -0.07 0.13 0.09 0.00 0.12 0.00 0.00 56.93 57.20 3hux s PHE 96 Cb 0.19 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.93 3hux s PHE 96 CO 0.73 0.53 -0.23 0.15 -0.10 0.00 0.00 175.22 176.30 3hux s LYS 97 N -2.04 1.41 0.43 0.44 -0.14 -1.26 -4.96 119.74 113.62 3hux s LYS 97 Ca 0.26 -1.12 -0.25 0.00 -1.36 0.00 0.00 55.97 53.50 3hux s LYS 97 Cb -0.12 -1.66 -0.10 0.00 -1.68 0.00 0.00 37.83 34.28 3hux s LYS 97 CO 0.18 0.41 1.24 -2.30 -0.76 0.00 0.00 175.35 174.11 3hux n PRO 98 N 1.45 1.83 -0.11 -1.68 -0.02 -1.26 -2.53 135.00 132.68 3hux n PRO 98 Ca -0.18 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3hux n PRO 98 Cb 0.53 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3hux n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hux n GLY 99 N 0.86 0.54 3.90 -1.23 0.00 -0.53 -4.98 105.19 103.74 3hux n GLY 99 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3hux n GLY 99 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hux s GLU 100 N -0.86 3.63 0.14 1.61 2.12 -1.05 -4.84 118.70 119.46 3hux s GLU 100 Ca 0.00 0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.60 3hux s GLU 100 Cb 0.00 -2.45 -0.04 0.00 0.26 0.00 0.00 34.13 31.90 3hux s GLU 100 CO 0.00 -0.05 0.08 1.03 -0.54 0.00 0.00 175.26 175.77 3hux s ARG 101 N -4.21 2.74 0.36 4.30 1.81 -1.26 0.51 118.95 123.19 3hux s ARG 101 Ca 0.47 -0.89 -0.00 0.00 -1.72 0.00 0.00 55.73 53.60 3hux s ARG 101 Cb -0.10 -2.58 -0.00 0.00 -0.45 0.00 0.00 34.95 31.82 3hux s ARG 101 CO 0.37 0.50 0.46 0.14 -0.68 0.00 0.00 175.30 176.09 3hux s VAL 102 N -1.62 0.00 -0.09 3.52 -7.23 0.33 -2.96 120.40 112.35 3hux s VAL 102 Ca 0.29 -1.66 -0.02 0.00 -1.81 0.00 0.00 61.98 58.78 3hux s VAL 102 Cb -0.10 -2.66 0.04 0.00 0.56 0.00 0.00 36.38 34.21 3hux s VAL 102 CO 0.21 0.00 0.04 -1.81 -0.31 0.00 0.00 175.10 173.24 3hux s ASP 103 N -3.28 1.67 -0.15 4.85 1.01 0.17 0.22 116.67 121.16 3hux s ASP 103 Ca 0.32 -0.18 -0.11 0.00 0.71 0.00 0.00 52.55 53.29 3hux s ASP 103 Cb -0.00 -0.30 -0.05 0.00 1.01 0.00 0.00 42.92 43.58 3hux s ASP 103 CO 0.23 -0.25 0.21 -0.69 0.21 0.00 0.00 175.17 174.87 3hux s VAL 104 N 2.07 5.37 -0.22 -1.27 1.01 -0.86 -1.76 120.40 124.73 3hux s VAL 104 Ca 0.04 0.37 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 3hux s VAL 104 Cb -0.13 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.74 3hux s VAL 104 CO -0.05 0.47 -0.12 -0.89 0.00 0.00 0.00 175.10 174.51 3hux s THR 105 N -0.02 2.51 0.30 3.92 2.01 -0.61 -1.73 115.64 122.02 3hux s THR 105 Ca 0.14 -1.03 -0.01 0.00 0.31 0.00 0.00 61.69 61.10 3hux s THR 105 Cb -0.12 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 3hux s THR 105 CO 0.03 0.32 0.36 -0.83 -0.69 0.00 0.00 174.62 173.81 3hux s GLY 106 N 1.29 1.60 -0.42 4.40 0.00 0.87 -1.99 107.32 113.08 3hux s GLY 106 Ca 0.01 -1.63 -0.17 0.00 0.00 0.00 0.00 44.72 42.94 3hux s GLY 106 CO -0.08 -1.15 0.41 -0.51 0.00 0.00 0.00 173.10 171.77 3hux s THR 107 N -3.46 5.12 0.64 0.90 -4.23 -1.26 0.76 115.64 114.11 3hux s THR 107 Ca 0.34 -0.39 -0.17 0.00 -1.18 0.00 0.00 61.69 60.28 3hux s THR 107 Cb 0.02 -4.02 -0.06 0.00 1.34 0.00 0.00 72.50 69.78 3hux s THR 107 CO 0.19 -0.40 0.62 -1.54 -0.54 0.00 0.00 174.62 172.95 3hux n SER 108 N 5.52 -0.75 -4.68 3.99 3.41 -0.83 -3.31 113.62 116.98 3hux n SER 108 Ca -0.08 0.69 -0.44 0.00 -0.26 0.00 0.00 58.87 58.77 3hux n SER 108 Cb 0.47 -1.24 -0.04 0.00 -0.26 0.00 0.00 64.21 63.15 3hux n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hux n LYS 109 N -0.56 2.57 -2.24 4.33 5.02 -1.26 -1.34 118.16 124.66 3hux n LYS 109 Ca 0.11 0.94 -0.40 0.00 -2.02 0.00 0.00 58.31 56.94 3hux n LYS 109 Cb 0.49 -2.81 -0.03 0.00 -0.02 0.00 0.00 35.03 32.66 3hux n LYS 109 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3hux s GLY 110 N 3.00 0.61 0.00 0.72 0.00 -1.26 -3.22 107.32 107.16 3hux s GLY 110 Ca 0.85 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.87 3hux s GLY 110 CO 0.41 3.06 0.62 0.54 0.00 0.00 0.00 173.10 177.73 3hux n ARG 111 N 8.96 0.83 0.00 2.90 1.74 -0.20 -4.78 116.66 126.11 3hux n ARG 111 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 3hux n ARG 111 Cb 0.50 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 3hux n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hux n GLY 112 N 0.20 0.25 3.58 -0.13 0.00 -1.22 -4.07 105.19 103.80 3hux n GLY 112 Ca 0.00 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 3hux n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hux s PHE 113 N 0.00 1.32 -0.00 1.61 5.99 -1.26 -0.80 117.98 124.84 3hux s PHE 113 Ca 0.00 0.86 0.04 0.00 0.00 0.00 0.00 56.93 57.83 3hux s PHE 113 Cb 0.00 -3.89 -0.03 0.00 0.00 0.00 0.00 43.02 39.10 3hux s PHE 113 CO 0.00 -3.26 -0.11 0.00 -0.00 0.00 0.00 175.22 171.85 3hux s ALA 114 N 9.15 2.84 0.84 11.12 0.00 -1.26 -4.82 121.76 139.64 3hux s ALA 114 Ca 0.92 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.72 3hux s ALA 114 Cb -0.24 -1.01 0.09 0.00 0.00 0.00 0.00 23.12 21.96 3hux s ALA 114 CO 0.31 0.59 1.10 0.20 0.00 0.00 0.00 175.76 177.96 3hux s GLY 115 N -1.23 1.61 0.43 0.00 0.00 -1.26 -1.78 107.32 105.09 3hux s GLY 115 Ca 0.15 -0.26 -0.25 0.00 0.00 0.00 0.00 44.72 44.36 3hux s GLY 115 CO 0.05 0.21 1.26 0.54 0.00 0.00 0.00 173.10 175.16 3hux s VAL 116 N -3.15 2.74 0.00 1.40 0.11 -1.26 -1.48 120.40 118.76 3hux s VAL 116 Ca 0.62 0.63 0.00 0.00 -2.93 0.00 0.00 61.98 60.30 3hux s VAL 116 Cb -0.15 -3.35 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 3hux s VAL 116 CO 0.54 0.06 0.00 0.80 -3.33 0.00 0.00 175.10 173.17 3hux n MET 117 N -0.11 0.00 0.00 1.54 0.00 -1.26 -4.75 117.12 112.54 3hux n MET 117 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.75 3hux n MET 117 Cb 0.45 -1.34 0.00 0.00 0.00 0.00 0.00 33.22 32.33 3hux n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3hux n LYS 118 N -0.92 0.00 -0.26 2.12 4.81 -1.20 -4.65 118.16 118.06 3hux n LYS 118 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.59 3hux n LYS 118 Cb 0.35 0.00 0.42 0.00 0.02 0.00 0.00 35.03 35.82 3hux n LYS 118 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hux h ARG 119 N 0.00 0.58 0.00 1.64 2.47 -1.52 -3.30 114.38 114.24 3hux h ARG 119 Ca 0.00 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3hux h ARG 119 Cb 0.00 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.19 3hux h ARG 119 CO 0.00 0.38 0.00 0.91 0.56 0.00 0.00 179.97 181.82 3hux n TRP 120 N -4.56 0.00 -2.43 3.04 5.03 -1.26 -5.05 117.44 112.20 3hux n TRP 120 Ca 0.19 0.00 -0.09 0.00 3.03 0.00 0.00 57.50 60.63 3hux n TRP 120 Cb 0.56 0.00 0.01 0.00 -1.03 0.00 0.00 31.31 30.85 3hux n TRP 120 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 3hux n ASN 121 N -0.45 -3.25 -4.72 -0.99 4.13 -1.25 -4.73 115.26 104.01 3hux n ASN 121 Ca 0.00 -0.08 -0.29 0.00 1.68 0.00 0.00 54.58 55.89 3hux n ASN 121 Cb 0.02 -2.29 0.16 0.00 -1.54 0.00 0.00 39.78 36.13 3hux n ASN 121 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3hux s PHE 122 N -2.67 2.27 -2.42 3.10 0.40 -1.26 -4.85 117.98 112.55 3hux s PHE 122 Ca 0.08 0.96 0.23 0.00 -0.60 0.00 0.00 56.93 57.60 3hux s PHE 122 Cb -0.04 -3.29 0.68 0.00 0.51 0.00 0.00 43.02 40.88 3hux s PHE 122 CO 0.10 -2.66 1.52 0.00 0.70 0.00 0.00 175.22 174.89 3hux n ALA 123 N -4.00 2.50 -0.53 5.36 0.00 -1.26 -4.61 120.51 117.97 3hux n ALA 123 Ca 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3hux n ALA 123 Cb 0.58 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3hux n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hux n GLY 124 N 1.24 2.21 2.83 0.00 0.00 -1.26 -4.77 105.19 105.45 3hux n GLY 124 Ca 0.17 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 3hux n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hux n GLY 125 N 0.00 3.39 3.77 -0.02 0.00 -0.39 -4.80 105.19 107.14 3hux n GLY 125 Ca 0.00 -2.10 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 3hux n GLY 125 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hux s PRO 126 N -3.32 3.89 -0.22 1.61 0.02 -1.26 -4.75 135.00 130.96 3hux s PRO 126 Ca 0.16 1.81 0.07 0.00 0.02 0.00 0.00 61.00 63.06 3hux s PRO 126 Cb 0.01 -2.53 0.55 0.00 0.02 0.00 0.00 34.50 32.55 3hux s PRO 126 CO 0.12 -0.45 1.49 -0.25 -0.33 0.00 0.00 177.00 177.57 3hux n ASP 127 N -0.24 4.07 0.00 2.53 8.00 -1.26 -4.52 116.55 125.13 3hux n ASP 127 Ca 0.06 -2.84 0.00 0.00 0.71 0.00 0.00 54.79 52.72 3hux n ASP 127 Cb 0.47 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3hux n ASP 127 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3hux n SER 128 N 0.03 0.00 -3.78 -2.24 2.88 -1.26 -4.98 113.62 104.27 3hux n SER 128 Ca 0.28 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.54 3hux n SER 128 Cb 1.08 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.55 3hux n SER 128 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3hux n HIS 129 N 0.00 -1.97 -0.86 0.66 8.25 -1.26 -1.62 115.22 118.42 3hux n HIS 129 Ca 0.00 0.65 0.00 0.00 -0.26 0.00 0.00 57.72 58.11 3hux n HIS 129 Cb 0.00 -2.97 0.00 0.00 1.12 0.00 0.00 29.99 28.14 3hux n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hux n GLY 130 N -1.77 0.03 3.62 -1.41 0.00 -1.26 -4.89 105.19 99.52 3hux n GLY 130 Ca -0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 3hux n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hux n ALA 131 N 1.00 1.58 -1.00 4.61 0.00 -0.64 -4.88 120.51 121.18 3hux n ALA 131 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3hux n ALA 131 Cb 0.33 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.01 3hux n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3hux n HIS 132 N 9.57 0.00 -2.60 0.00 -0.00 -1.26 -4.78 115.22 116.15 3hux n HIS 132 Ca 0.26 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.86 3hux n HIS 132 Cb 0.40 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.42 3hux n HIS 132 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3hux n LYS 133 N -0.02 2.02 -0.06 1.57 5.02 -1.26 -4.78 118.16 120.65 3hux n LYS 133 Ca 0.00 -3.67 0.01 0.00 -2.02 0.00 0.00 58.31 52.64 3hux n LYS 133 Cb 0.00 -1.65 0.02 0.00 -0.02 0.00 0.00 35.03 33.38 3hux n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3hux n ILE 134 N -0.35 0.73 -0.49 -0.18 -6.64 -1.26 -4.81 119.36 106.35 3hux n ILE 134 Ca 0.18 -0.79 0.40 0.00 -1.77 0.00 0.00 62.75 60.78 3hux n ILE 134 Cb 0.80 0.55 0.61 0.00 -1.44 0.00 0.00 39.64 40.16 3hux n ILE 134 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 3hux n HIS 135 N -0.44 0.00 -1.72 4.28 8.25 -1.26 0.12 115.22 124.46 3hux n HIS 135 Ca 0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.53 3hux n HIS 135 Cb 0.42 -0.37 0.08 0.00 1.12 0.00 0.00 29.99 31.24 3hux n HIS 135 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3hux n ARG 136 N -3.46 0.63 -1.84 -0.41 1.74 -1.26 -1.27 116.66 110.80 3hux n ARG 136 Ca 0.33 -1.98 -0.18 0.00 -0.77 0.00 0.00 57.85 55.25 3hux n ARG 136 Cb 1.63 -0.90 0.10 0.00 -1.02 0.00 0.00 32.46 32.27 3hux n ARG 136 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hux n HIS 137 N -0.54 -3.33 -1.82 -1.55 8.25 0.12 -4.83 115.22 111.51 3hux n HIS 137 Ca 0.09 -1.15 -0.30 0.00 -0.26 0.00 0.00 57.72 56.10 3hux n HIS 137 Cb 0.75 -0.59 0.04 0.00 1.12 0.00 0.00 29.99 31.31 3hux n HIS 137 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3hux n PRO 138 N -2.54 3.20 0.00 -0.41 -0.04 -1.26 -4.00 135.00 129.96 3hux n PRO 138 Ca 0.12 -3.85 0.00 0.00 -0.04 0.00 0.00 63.50 59.73 3hux n PRO 138 Cb 0.42 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 3hux n PRO 138 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hux n GLY 139 N -0.74 0.91 3.80 0.55 0.00 -1.26 -4.51 105.19 103.93 3hux n GLY 139 Ca 0.51 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 3hux n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hux s SER 140 N -4.00 6.69 0.00 1.61 0.15 -1.26 -4.96 113.70 111.93 3hux s SER 140 Ca 0.00 1.89 0.07 0.00 0.70 0.00 0.00 55.95 58.61 3hux s SER 140 Cb 0.00 -2.56 0.09 0.00 -1.71 0.00 0.00 66.02 61.83 3hux s SER 140 CO 0.00 -0.53 0.83 2.30 1.20 0.00 0.00 173.24 177.03 3hux n ILE 141 N -0.50 0.27 -3.25 6.45 -5.35 -1.26 -5.06 119.36 110.65 3hux n ILE 141 Ca 0.07 -0.63 -0.01 0.00 -0.27 0.00 0.00 62.75 61.91 3hux n ILE 141 Cb 0.52 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 3hux n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hux n GLY 142 N 0.30 1.61 0.00 3.28 0.00 -1.26 -4.76 105.19 104.36 3hux n GLY 142 Ca 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3hux n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hux n ASN 143 N -0.94 0.00 0.00 1.61 5.03 -1.26 -5.14 115.26 114.56 3hux n ASN 143 Ca -0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.44 3hux n ASN 143 Cb 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.85 3hux n ASN 143 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 3hux n ARG 144 N 0.00 0.00 0.20 3.52 0.00 -1.26 -4.96 116.66 114.16 3hux n ARG 144 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.99 3hux n ARG 144 Cb 0.00 0.00 0.44 0.00 0.00 0.00 0.00 32.46 32.90 3hux n ARG 144 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 3hux h LYS 145 N 0.00 0.00 -4.13 -0.14 1.79 -2.01 -3.24 116.57 108.84 3hux h LYS 145 Ca 0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 3hux h LYS 145 Cb 0.00 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 30.29 3hux h LYS 145 CO 0.00 0.00 -0.79 0.95 -1.08 0.00 0.00 179.45 178.53 3hux s THR 146 N -3.36 0.85 0.22 -0.16 -4.23 -1.26 -3.60 115.64 104.10 3hux s THR 146 Ca 0.05 -0.20 -0.04 0.00 -1.18 0.00 0.00 61.69 60.32 3hux s THR 146 Cb 0.09 -0.89 0.03 0.00 1.34 0.00 0.00 72.50 73.06 3hux s THR 146 CO 0.56 0.33 1.62 1.55 -0.54 0.00 0.00 174.62 178.14 3hux h PRO 147 N 7.98 0.72 -0.68 3.99 0.13 -1.96 -3.43 132.00 138.74 3hux h PRO 147 Ca -0.28 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 3hux h PRO 147 Cb 1.14 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hux h PRO 147 CO 0.39 0.91 0.00 0.41 -0.23 0.00 0.00 178.00 179.48 3hux n GLY 148 N -0.18 0.81 0.06 1.56 0.00 -1.23 -5.06 105.19 101.16 3hux n GLY 148 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 46.02 45.70 3hux n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hux n ARG 149 N -0.34 0.01 -5.28 1.61 1.85 -1.26 -5.05 116.66 108.19 3hux n ARG 149 Ca 0.00 -0.02 -0.31 0.00 -1.00 0.00 0.00 57.85 56.52 3hux n ARG 149 Cb 0.26 0.03 -0.16 0.00 -1.05 0.00 0.00 32.46 31.53 3hux n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3hux s VAL 150 N -2.42 2.03 0.47 8.89 1.01 -1.26 -4.68 120.40 124.43 3hux s VAL 150 Ca 0.00 -1.08 -0.24 0.00 0.00 0.00 0.00 61.98 60.66 3hux s VAL 150 Cb -0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.61 3hux s VAL 150 CO 0.00 0.57 1.22 -1.22 0.00 0.00 0.00 175.10 175.67 3hux n TYR 151 N 2.60 1.87 0.25 5.22 4.01 -1.26 -4.82 117.16 125.03 3hux n TYR 151 Ca -0.16 0.48 0.18 0.00 -0.16 0.00 0.00 57.90 58.24 3hux n TYR 151 Cb 0.51 -2.32 0.87 0.00 -0.31 0.00 0.00 39.34 38.09 3hux n TYR 151 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3hux h LYS 152 N 1.68 0.00 0.00 -0.72 1.63 -2.03 -2.28 116.57 114.86 3hux h LYS 152 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 3hux h LYS 152 Cb 1.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 3hux h LYS 152 CO 0.58 0.00 -1.38 0.41 -3.45 0.00 0.00 179.45 175.60 3hux n GLY 153 N -1.31 -1.25 0.00 5.01 0.00 -1.26 -5.02 105.19 101.36 3hux n GLY 153 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3hux n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hux n LYS 154 N -2.41 0.00 -2.65 1.61 3.00 -0.86 -4.82 118.16 112.04 3hux n LYS 154 Ca -0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.88 3hux n LYS 154 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.54 3hux n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3hux s LYS 155 N 0.00 4.57 0.00 1.64 1.02 -1.26 -5.02 119.74 120.69 3hux s LYS 155 Ca 0.00 1.52 0.00 0.00 0.02 0.00 0.00 55.97 57.51 3hux s LYS 155 Cb 0.00 -3.40 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 3hux s LYS 155 CO 0.00 -0.01 0.00 -1.33 -0.92 0.00 0.00 175.35 173.09 3hux n MET 156 N 3.50 0.00 -3.00 1.68 2.81 -1.26 -5.05 117.12 115.80 3hux n MET 156 Ca 0.05 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.66 3hux n MET 156 Cb 0.49 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.98 3hux n MET 156 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hux s ALA 157 N -1.64 3.49 0.00 3.04 0.00 -1.26 -4.48 121.76 120.91 3hux s ALA 157 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.46 3hux s ALA 157 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.65 3hux s ALA 157 CO 0.00 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.13 3hux n GLY 158 N -1.55 4.87 0.28 0.00 0.00 -0.73 -4.96 105.19 103.10 3hux n GLY 158 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3hux n GLY 158 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3hux n HIS 159 N -1.66 0.00 -3.85 1.61 -0.00 -1.26 -4.38 115.22 105.68 3hux n HIS 159 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.36 3hux n HIS 159 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.86 3hux n HIS 159 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 3hux s TYR 160 N 0.00 3.06 0.00 1.57 6.14 0.02 -4.90 117.35 123.24 3hux s TYR 160 Ca 0.00 -1.06 0.00 0.00 0.64 0.00 0.00 57.07 56.65 3hux s TYR 160 Cb 0.00 -2.16 0.00 0.00 0.42 0.00 0.00 41.96 40.22 3hux s TYR 160 CO 0.00 -0.59 0.00 0.41 0.64 0.00 0.00 175.55 176.01 3hux n GLY 161 N 4.80 -0.42 3.74 8.97 0.00 -1.26 -1.03 105.19 119.98 3hux n GLY 161 Ca -0.16 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.60 3hux n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hux n ALA 162 N -0.59 0.00 -2.17 4.61 0.00 -0.45 -4.68 120.51 117.23 3hux n ALA 162 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3hux n ALA 162 Cb 0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 3hux n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3hux s GLU 163 N -0.94 4.01 0.24 0.00 1.03 -1.26 -4.62 118.70 117.16 3hux s GLU 163 Ca 0.00 0.64 -0.31 0.00 0.03 0.00 0.00 54.97 55.33 3hux s GLU 163 Cb 0.00 -2.53 -0.12 0.00 -0.80 0.00 0.00 34.13 30.68 3hux s GLU 163 CO 0.00 0.21 1.64 -2.13 -1.33 0.00 0.00 175.26 173.66 3hux n ARG 164 N -0.17 2.67 -4.13 -4.83 0.63 -1.26 -1.97 116.66 107.61 3hux n ARG 164 Ca 0.02 0.96 -0.13 0.00 -0.92 0.00 0.00 57.85 57.77 3hux n ARG 164 Cb 0.53 -2.76 -0.11 0.00 0.45 0.00 0.00 32.46 30.57 3hux n ARG 164 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3hux s VAL 165 N 0.59 0.74 -0.07 5.15 1.01 0.23 -4.88 120.40 123.16 3hux s VAL 165 Ca 0.70 -1.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 3hux s VAL 165 Cb -0.52 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 34.84 3hux s VAL 165 CO 0.40 -0.51 0.15 -0.89 0.00 0.00 0.00 175.10 174.26 3hux s THR 166 N -2.08 -0.15 -0.09 3.92 2.01 -1.26 -0.09 115.64 117.90 3hux s THR 166 Ca -0.01 0.27 -0.04 0.00 0.31 0.00 0.00 61.69 62.22 3hux s THR 166 Cb -0.05 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 3hux s THR 166 CO -0.00 0.11 0.10 0.54 -0.69 0.00 0.00 174.62 174.67 3hux s VAL 167 N 1.73 5.05 0.52 3.82 0.11 -0.71 -4.98 120.40 125.94 3hux s VAL 167 Ca -0.03 -0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.05 3hux s VAL 167 Cb -0.12 -3.21 0.06 0.00 -1.53 0.00 0.00 36.38 31.59 3hux s VAL 167 CO -0.06 0.56 0.52 0.23 -3.33 0.00 0.00 175.10 173.02 3hux n MET 168 N 1.84 0.70 -3.85 1.54 0.00 -1.26 -2.03 117.12 114.06 3hux n MET 168 Ca -0.18 -3.05 -0.24 0.00 0.00 0.00 0.00 57.70 54.24 3hux n MET 168 Cb 0.54 0.11 -0.07 0.00 0.00 0.00 0.00 33.22 33.80 3hux n MET 168 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3hux n ASN 169 N -2.06 0.50 -4.69 7.83 5.15 -0.36 -4.86 115.26 116.78 3hux n ASN 169 Ca 0.05 -0.95 -0.41 0.00 -0.60 0.00 0.00 54.58 52.67 3hux n ASN 169 Cb 0.57 -1.17 -0.04 0.00 -0.53 0.00 0.00 39.78 38.60 3hux n ASN 169 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3hux s LEU 170 N -6.28 4.23 0.30 1.20 2.96 0.59 -4.65 118.68 117.04 3hux s LEU 170 Ca 0.02 1.27 -0.28 0.00 -0.22 0.00 0.00 54.13 54.92 3hux s LEU 170 Cb -0.01 -3.28 -0.09 0.00 0.50 0.00 0.00 46.19 43.31 3hux s LEU 170 CO 0.74 -0.34 1.07 -0.70 -1.32 0.00 0.00 176.35 175.80 3hux s GLU 171 N 1.75 4.58 -0.29 1.98 2.12 -1.26 0.12 118.70 127.70 3hux s GLU 171 Ca 0.41 1.71 -0.17 0.00 0.36 0.00 0.00 54.97 57.28 3hux s GLU 171 Cb -0.17 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.12 3hux s GLU 171 CO 0.16 0.18 0.47 0.08 -0.54 0.00 0.00 175.26 175.62 3hux s VAL 172 N -1.26 5.08 -0.78 3.70 1.01 0.18 -2.54 120.40 125.79 3hux s VAL 172 Ca 0.47 0.62 0.02 0.00 0.00 0.00 0.00 61.98 63.09 3hux s VAL 172 Cb -0.29 -3.84 0.24 0.00 0.00 0.00 0.00 36.38 32.49 3hux s VAL 172 CO 0.37 0.01 0.82 0.52 0.00 0.00 0.00 175.10 176.82 3hux n VAL 173 N 5.23 2.85 0.00 2.92 0.31 -0.06 -1.46 118.33 128.12 3hux n VAL 173 Ca -0.05 -5.24 0.00 0.00 -0.01 0.00 0.00 64.34 59.03 3hux n VAL 173 Cb 0.50 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 3hux n VAL 173 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3hux n ASP 174 N 1.48 0.00 -3.35 4.52 4.64 -1.26 -4.37 116.55 118.21 3hux n ASP 174 Ca 0.25 0.00 -0.02 0.00 -1.38 0.00 0.00 54.79 53.64 3hux n ASP 174 Cb 0.38 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.41 3hux n ASP 174 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3hux s VAL 175 N -2.95 -0.83 -1.08 5.18 -7.23 -1.26 -2.69 120.40 109.53 3hux s VAL 175 Ca 0.00 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.04 3hux s VAL 175 Cb 0.00 -0.90 0.22 0.00 0.56 0.00 0.00 36.38 36.26 3hux s VAL 175 CO 0.00 -0.03 1.17 -0.63 -0.31 0.00 0.00 175.10 175.30 3hux s ILE 176 N 2.74 5.47 0.32 -0.62 1.09 -1.16 -4.85 121.20 124.20 3hux s ILE 176 Ca 0.12 -2.80 0.09 0.00 -1.10 0.00 0.00 60.65 56.95 3hux s ILE 176 Cb -0.14 -4.71 0.32 0.00 -1.06 0.00 0.00 42.46 36.87 3hux s ILE 176 CO -0.18 -1.35 1.77 1.55 -0.10 0.00 0.00 174.94 176.63 3hux h PRO 177 N 7.25 0.64 0.00 2.79 0.13 -1.96 0.70 132.00 141.55 3hux h PRO 177 Ca 0.21 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3hux h PRO 177 Cb 0.92 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3hux h PRO 177 CO 1.06 0.42 0.36 1.49 -0.23 0.00 0.00 178.00 181.10 3hux h GLU 178 N 0.66 0.00 0.00 0.86 4.57 -1.96 -3.01 114.58 115.70 3hux h GLU 178 Ca 0.59 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.77 3hux h GLU 178 Cb 1.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 3hux h GLU 178 CO -0.39 0.00 0.00 -1.91 -1.18 0.00 0.00 179.01 175.53 3hux n GLU 179 N -2.82 2.66 -0.98 1.92 4.07 0.23 -5.01 120.64 120.71 3hux n GLU 179 Ca -0.02 -0.09 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 3hux n GLU 179 Cb 0.40 -0.46 0.00 0.00 -0.06 0.00 0.00 31.44 31.32 3hux n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3hux n ASN 180 N -0.41 -1.29 -4.88 4.31 3.02 -0.61 -4.94 115.26 110.47 3hux n ASN 180 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 3hux n ASN 180 Cb 0.03 -0.41 0.06 0.00 -0.61 0.00 0.00 39.78 38.86 3hux n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hux s LEU 181 N 0.00 2.76 -0.23 3.41 1.02 -1.22 -0.43 118.68 123.99 3hux s LEU 181 Ca 0.00 1.07 -0.11 0.00 0.02 0.00 0.00 54.13 55.11 3hux s LEU 181 Cb 0.00 -3.77 0.08 0.00 0.02 0.00 0.00 46.19 42.52 3hux s LEU 181 CO 0.00 -1.55 0.54 -0.22 0.02 0.00 0.00 176.35 175.14 3hux s LEU 182 N -5.46 -0.66 -0.16 1.79 2.96 -0.74 -2.99 118.68 113.41 3hux s LEU 182 Ca 0.59 1.23 -0.11 0.00 -0.22 0.00 0.00 54.13 55.62 3hux s LEU 182 Cb -0.11 1.84 -0.05 0.00 0.50 0.00 0.00 46.19 48.37 3hux s LEU 182 CO 0.51 -0.22 0.20 -0.76 -1.32 0.00 0.00 176.35 174.77 3hux s LEU 183 N 1.99 4.26 0.28 -0.68 1.02 -1.10 -1.33 118.68 123.13 3hux s LEU 183 Ca -0.07 0.40 0.04 0.00 0.02 0.00 0.00 54.13 54.51 3hux s LEU 183 Cb -0.09 -2.21 -0.06 0.00 0.02 0.00 0.00 46.19 43.85 3hux s LEU 183 CO -0.16 0.19 0.02 -0.69 0.02 0.00 0.00 176.35 175.73 3hux s VAL 184 N 0.11 1.15 0.00 -1.59 1.01 0.16 -0.88 120.40 120.36 3hux s VAL 184 Ca 0.13 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.08 3hux s VAL 184 Cb -0.12 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.69 3hux s VAL 184 CO 0.02 -0.16 0.57 0.29 0.00 0.00 0.00 175.10 175.81 3hux n LYS 185 N -0.55 0.41 0.00 2.72 4.76 -1.05 0.34 118.16 124.78 3hux n LYS 185 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 3hux n LYS 185 Cb 0.65 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 3hux n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hux n GLY 186 N 1.18 0.34 1.90 0.72 0.00 -0.99 -4.80 105.19 103.54 3hux n GLY 186 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hux n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hux n ALA 187 N 0.00 1.99 -2.70 4.61 0.00 -1.26 -4.83 120.51 118.31 3hux n ALA 187 Ca 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3hux n ALA 187 Cb 0.00 -1.80 -0.07 0.00 0.00 0.00 0.00 19.45 17.58 3hux n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hux s VAL 188 N 1.61 5.22 1.32 0.00 0.11 -1.26 -4.70 120.40 122.70 3hux s VAL 188 Ca 0.00 0.77 -0.20 0.00 -2.93 0.00 0.00 61.98 59.63 3hux s VAL 188 Cb 0.00 -3.74 0.33 0.00 -1.53 0.00 0.00 36.38 31.44 3hux s VAL 188 CO 0.00 0.31 0.99 -2.16 -3.33 0.00 0.00 175.10 170.91 3hux s PRO 189 N 0.87 -2.10 0.19 1.54 0.04 -1.26 -4.96 135.00 129.31 3hux s PRO 189 Ca 0.21 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.52 3hux s PRO 189 Cb -0.14 -1.46 0.00 0.00 0.04 0.00 0.00 34.50 32.93 3hux s PRO 189 CO 0.08 -4.36 0.00 0.41 0.04 0.00 0.00 177.00 173.16 3hux n GLY 190 N 0.76 -2.73 3.85 0.56 0.00 -1.21 -4.79 105.19 101.63 3hux n GLY 190 Ca 0.10 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 3hux n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hux s PRO 191 N -3.21 1.85 0.28 1.61 0.04 -1.26 -4.81 135.00 129.48 3hux s PRO 191 Ca 0.00 0.30 -0.29 0.00 0.04 0.00 0.00 61.00 61.05 3hux s PRO 191 Cb 0.00 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 3hux s PRO 191 CO 0.00 -1.71 1.08 -0.80 0.04 0.00 0.00 177.00 175.60 3hux s ASN 192 N -4.26 7.31 0.00 6.66 0.02 -1.26 -1.65 114.94 121.77 3hux s ASN 192 Ca 0.62 2.23 0.00 0.00 -1.02 0.00 0.00 52.86 54.69 3hux s ASN 192 Cb -0.13 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.52 3hux s ASN 192 CO 0.52 -0.11 0.00 0.61 0.02 0.00 0.00 177.10 178.14 3hux n GLY 193 N 1.22 0.46 3.77 0.66 0.00 0.29 -5.01 105.19 106.59 3hux n GLY 193 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3hux n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hux s GLY 194 N -1.81 2.81 -0.16 -0.02 0.00 -0.66 -4.78 107.32 102.71 3hux s GLY 194 Ca 0.00 0.83 -0.21 0.00 0.00 0.00 0.00 44.72 45.33 3hux s GLY 194 CO 0.00 1.30 0.64 -2.27 0.00 0.00 0.00 173.10 172.77 3hux s LEU 195 N -2.55 4.20 0.43 0.66 2.96 -1.26 -0.14 118.68 122.97 3hux s LEU 195 Ca 0.57 0.94 0.06 0.00 -0.22 0.00 0.00 54.13 55.48 3hux s LEU 195 Cb -0.26 -2.94 -0.06 0.00 0.50 0.00 0.00 46.19 43.43 3hux s LEU 195 CO 0.33 -0.22 0.07 0.68 -1.32 0.00 0.00 176.35 175.89 3hux s VAL 196 N 1.53 1.96 -0.14 1.68 -7.23 -0.66 -4.56 120.40 112.97 3hux s VAL 196 Ca 0.31 -1.89 -0.02 0.00 -1.81 0.00 0.00 61.98 58.57 3hux s VAL 196 Cb -0.16 -2.86 0.05 0.00 0.56 0.00 0.00 36.38 33.97 3hux s VAL 196 CO 0.12 0.00 0.02 0.27 -0.31 0.00 0.00 175.10 175.20 3hux s ILE 197 N -2.70 0.47 -0.20 -0.62 -4.36 -0.84 -1.95 121.20 111.00 3hux s ILE 197 Ca 0.33 -0.28 -0.09 0.00 -0.26 0.00 0.00 60.65 60.34 3hux s ILE 197 Cb 0.07 -0.83 -0.05 0.00 1.25 0.00 0.00 42.46 42.90 3hux s ILE 197 CO 0.17 -0.02 0.11 -0.69 0.24 0.00 0.00 174.94 174.76 3hux s VAL 198 N 1.90 5.18 0.13 8.37 1.01 0.32 -1.58 120.40 135.73 3hux s VAL 198 Ca 0.02 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.14 3hux s VAL 198 Cb -0.15 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3hux s VAL 198 CO -0.07 0.43 -0.10 -0.13 0.00 0.00 0.00 175.10 175.24 3hux s ARG 199 N 0.46 0.98 0.42 2.72 0.52 -0.72 -1.47 118.95 121.86 3hux s ARG 199 Ca 0.06 -1.36 -0.26 0.00 -0.52 0.00 0.00 55.73 53.65 3hux s ARG 199 Cb -0.12 -0.57 -0.09 0.00 0.52 0.00 0.00 34.95 34.70 3hux s ARG 199 CO -0.00 0.07 1.35 -1.83 0.02 0.00 0.00 175.30 174.91 3hux s GLU 200 N -3.48 3.89 0.76 3.54 1.03 -0.92 0.46 118.70 123.98 3hux s GLU 200 Ca 0.13 2.26 -0.13 0.00 0.03 0.00 0.00 54.97 57.26 3hux s GLU 200 Cb 0.01 -2.74 0.06 0.00 -0.80 0.00 0.00 34.13 30.66 3hux s GLU 200 CO -0.00 -0.59 1.16 -0.08 -1.33 0.00 0.00 175.26 174.42 3hux s THR 201 N -1.23 2.59 -1.78 1.83 -1.32 -1.15 -4.53 115.64 110.04 3hux s THR 201 Ca 0.58 0.25 0.19 0.00 -1.21 0.00 0.00 61.69 61.49 3hux s THR 201 Cb -0.40 -2.68 0.58 0.00 -1.51 0.00 0.00 72.50 68.49 3hux s THR 201 CO 0.52 -0.19 1.48 0.29 -2.21 0.00 0.00 174.62 174.50 3hux n LYS 202 N -3.11 2.71 0.32 7.08 4.01 -1.26 -2.30 118.16 125.61 3hux n LYS 202 Ca 0.12 -2.34 0.20 0.00 -0.51 0.00 0.00 58.31 55.78 3hux n LYS 202 Cb 0.51 -1.58 1.09 0.00 -0.51 0.00 0.00 35.03 34.54 3hux n LYS 202 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 3hux h LYS 203 N 3.67 0.00 0.00 1.97 5.09 -1.98 -3.29 116.57 122.03 3hux h LYS 203 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 3hux h LYS 203 Cb 0.97 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.30 3hux h LYS 203 CO 0.06 0.00 -0.35 0.00 -2.09 0.00 0.00 179.45 177.06 3hux n ALA 204 N -2.11 3.00 0.00 0.07 0.00 -1.26 -5.23 120.51 114.99 3hux n ALA 204 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3hux n ALA 204 Cb 0.14 0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3hux n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50