#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx1 n GLN 10 N 0.00 1.06 -4.39 3.23 6.02 -1.25 -4.84 117.38 117.21 3hx1 n GLN 10 Ca 0.00 0.38 -0.26 0.00 -0.01 0.00 0.00 57.00 57.10 3hx1 n GLN 10 Cb 0.00 -1.74 -0.12 0.00 1.02 0.00 0.00 30.24 29.40 3hx1 n GLN 10 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3hx1 s GLU 11 N -1.02 1.41 -0.40 -1.09 -1.05 0.36 -4.91 118.70 112.00 3hx1 s GLU 11 Ca 0.65 -1.42 -0.27 0.00 -0.15 0.00 0.00 54.97 53.78 3hx1 s GLU 11 Cb -0.80 -1.74 0.02 0.00 -0.44 0.00 0.00 34.13 31.17 3hx1 s GLU 11 CO 0.57 0.39 1.00 -1.01 0.95 0.00 0.00 175.26 177.16 3hx1 s HIS 12 N -1.49 3.00 -0.09 4.83 3.76 -1.26 -1.89 115.29 122.15 3hx1 s HIS 12 Ca 0.17 0.77 0.03 0.00 -0.15 0.00 0.00 55.06 55.88 3hx1 s HIS 12 Cb -0.08 -3.91 -0.01 0.00 1.11 0.00 0.00 32.58 29.69 3hx1 s HIS 12 CO 0.08 -0.97 -0.19 0.42 -0.85 0.00 0.00 174.74 173.22 3hx1 s ILE 13 N 3.80 2.52 -0.29 0.60 -1.09 -0.45 0.15 121.20 126.44 3hx1 s ILE 13 Ca 0.42 -0.88 -0.03 0.00 -2.23 0.00 0.00 60.65 57.93 3hx1 s ILE 13 Cb -0.10 -1.98 0.03 0.00 -1.58 0.00 0.00 42.46 38.82 3hx1 s ILE 13 CO 0.23 0.56 0.01 -0.22 -1.23 0.00 0.00 174.94 174.28 3hx1 s LEU 14 N 0.03 3.70 -0.44 2.97 2.96 0.84 -1.38 118.68 127.35 3hx1 s LEU 14 Ca -0.07 -1.02 -0.22 0.00 -0.22 0.00 0.00 54.13 52.60 3hx1 s LEU 14 Cb -0.15 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.82 3hx1 s LEU 14 CO 0.05 -0.21 0.72 -0.63 -1.32 0.00 0.00 176.35 174.96 3hx1 s ILE 15 N 1.34 4.73 -0.17 6.68 1.09 0.39 -0.91 121.20 134.34 3hx1 s ILE 15 Ca -0.02 0.28 -0.08 0.00 -1.10 0.00 0.00 60.65 59.74 3hx1 s ILE 15 Cb -0.18 -4.27 -0.04 0.00 -1.06 0.00 0.00 42.46 36.90 3hx1 s ILE 15 CO -0.01 -0.66 0.10 -0.63 -0.10 0.00 0.00 174.94 173.64 3hx1 s ILE 16 N 3.08 5.15 -0.19 2.92 1.01 0.70 -0.87 121.20 133.01 3hx1 s ILE 16 Ca 0.27 0.09 0.01 0.00 0.00 0.00 0.00 60.65 61.01 3hx1 s ILE 16 Cb -0.13 -3.31 0.04 0.00 0.01 0.00 0.00 42.46 39.07 3hx1 s ILE 16 CO 0.21 0.49 -0.12 -0.22 0.00 0.00 0.00 174.94 175.30 3hx1 s LEU 17 N 0.04 2.17 0.00 2.97 2.96 -0.77 -0.41 118.68 125.65 3hx1 s LEU 17 Ca 0.08 -0.80 -0.01 0.00 -0.22 0.00 0.00 54.13 53.18 3hx1 s LEU 17 Cb -0.12 -1.24 0.00 0.00 0.50 0.00 0.00 46.19 45.34 3hx1 s LEU 17 CO 0.00 -0.12 0.09 -0.90 -1.32 0.00 0.00 176.35 174.10 3hx1 n ASP 18 N 4.70 -0.26 -0.16 3.68 5.68 -0.92 -2.66 116.55 126.61 3hx1 n ASP 18 Ca -0.15 -1.27 0.28 0.00 -0.50 0.00 0.00 54.79 53.15 3hx1 n ASP 18 Cb 0.47 0.46 0.57 0.00 -1.14 0.00 0.00 41.12 41.49 3hx1 n ASP 18 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3hx1 h ASP 19 N 0.30 0.00 -0.23 -1.12 5.19 -1.63 0.71 116.42 119.64 3hx1 h ASP 19 Ca -0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 3hx1 h ASP 19 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 3hx1 h ASP 19 CO 0.06 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.18 3hx1 n ALA 20 N -2.34 2.49 0.00 3.45 0.00 -1.26 -5.06 120.51 117.79 3hx1 n ALA 20 Ca 0.20 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3hx1 n ALA 20 Cb 1.27 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.69 3hx1 n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hx1 n GLY 21 N 1.21 -1.68 3.70 0.00 0.00 0.25 -4.94 105.19 103.73 3hx1 n GLY 21 Ca 0.16 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.77 3hx1 n GLY 21 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hx1 s ARG 22 N 0.00 4.18 0.11 1.61 3.52 -1.26 -2.16 118.95 124.95 3hx1 s ARG 22 Ca 0.00 -0.10 -0.05 0.00 -0.13 0.00 0.00 55.73 55.45 3hx1 s ARG 22 Cb 0.00 -3.47 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 3hx1 s ARG 22 CO 0.00 0.18 0.13 -0.98 -0.81 0.00 0.00 175.30 173.82 3hx1 s ARG 23 N 0.69 0.89 -0.03 5.12 1.70 0.45 -4.98 118.95 122.79 3hx1 s ARG 23 Ca 0.12 -1.18 0.03 0.00 -0.47 0.00 0.00 55.73 54.22 3hx1 s ARG 23 Cb -0.13 0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 3hx1 s ARG 23 CO 0.02 -0.27 -0.08 -1.21 -1.08 0.00 0.00 175.30 172.68 3hx1 s GLU 24 N -3.94 2.60 -0.03 3.89 2.02 -1.26 -0.21 118.70 121.76 3hx1 s GLU 24 Ca 0.13 -0.67 0.05 0.00 0.02 0.00 0.00 54.97 54.50 3hx1 s GLU 24 Cb 0.06 -2.51 -0.01 0.00 0.10 0.00 0.00 34.13 31.77 3hx1 s GLU 24 CO -0.05 0.63 -0.17 0.08 0.02 0.00 0.00 175.26 175.76 3hx1 s VAL 25 N -0.89 1.42 -0.20 2.63 1.01 -0.09 -4.97 120.40 119.31 3hx1 s VAL 25 Ca 0.15 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 3hx1 s VAL 25 Cb -0.11 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 3hx1 s VAL 25 CO 0.04 0.41 0.42 -0.22 0.00 0.00 0.00 175.10 175.74 3hx1 s LEU 26 N -0.17 4.16 -0.39 3.92 2.96 -1.26 -0.12 118.68 127.78 3hx1 s LEU 26 Ca 0.01 0.55 -0.23 0.00 -0.22 0.00 0.00 54.13 54.24 3hx1 s LEU 26 Cb -0.09 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 44.07 3hx1 s LEU 26 CO 0.01 -0.08 0.80 -0.76 -1.32 0.00 0.00 176.35 174.99 3hx1 s LEU 27 N 1.29 4.15 -0.05 -0.68 1.02 0.12 -4.86 118.68 119.67 3hx1 s LEU 27 Ca 0.20 0.21 0.02 0.00 0.02 0.00 0.00 54.13 54.58 3hx1 s LEU 27 Cb -0.15 -3.02 -0.04 0.00 0.02 0.00 0.00 46.19 42.99 3hx1 s LEU 27 CO 0.08 -0.81 -0.02 0.41 0.02 0.00 0.00 176.35 176.03 3hx1 n THR 28 N 5.93 0.32 -2.28 5.49 -1.04 -1.26 -4.45 114.28 116.99 3hx1 n THR 28 Ca 0.03 -0.15 -0.26 0.00 -2.04 0.00 0.00 64.05 61.63 3hx1 n THR 28 Cb 0.48 -0.78 0.13 0.00 -1.82 0.00 0.00 70.33 68.34 3hx1 n THR 28 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3hx1 s GLU 29 N -2.11 1.42 0.03 -2.82 0.41 -1.26 -5.03 118.70 109.34 3hx1 s GLU 29 Ca -0.05 -0.69 0.04 0.00 -0.41 0.00 0.00 54.97 53.86 3hx1 s GLU 29 Cb 0.02 -2.13 -0.24 0.00 -1.78 0.00 0.00 34.13 29.99 3hx1 s GLU 29 CO 0.15 -1.74 0.96 1.15 -0.49 0.00 0.00 175.26 175.30 3hx1 h THR 30 N -0.93 1.28 -3.85 3.63 2.02 -1.95 -3.44 112.91 109.68 3hx1 h THR 30 Ca -0.41 -3.00 -0.31 0.00 0.77 0.00 0.00 66.41 63.46 3hx1 h THR 30 Cb 1.27 2.71 -0.29 0.00 -1.74 0.00 0.00 68.15 70.10 3hx1 h THR 30 CO 0.44 0.80 -0.75 0.12 0.37 0.00 0.00 175.52 176.49 3hx1 s PHE 31 N -2.65 0.40 -0.07 3.16 5.36 -1.25 -0.53 117.98 122.40 3hx1 s PHE 31 Ca -0.04 -0.07 -0.03 0.00 -0.96 0.00 0.00 56.93 55.82 3hx1 s PHE 31 Cb 0.08 -0.27 0.04 0.00 -0.34 0.00 0.00 43.02 42.53 3hx1 s PHE 31 CO 0.84 -0.02 0.15 0.71 -1.46 0.00 0.00 175.22 175.43 3hx1 s TYR 32 N -0.03 -0.16 0.21 10.12 2.02 0.02 -4.96 117.35 124.57 3hx1 s TYR 32 Ca 0.01 0.50 -0.06 0.00 -0.37 0.00 0.00 57.07 57.15 3hx1 s TYR 32 Cb -0.03 -0.13 -0.06 0.00 -0.40 0.00 0.00 41.96 41.34 3hx1 s TYR 32 CO -0.00 -0.19 0.48 0.95 -1.57 0.00 0.00 175.55 175.22 3hx1 s THR 33 N 1.44 5.05 -0.01 -0.71 -4.23 -1.26 -0.30 115.64 115.62 3hx1 s THR 33 Ca -0.06 0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.64 3hx1 s THR 33 Cb -0.12 -3.65 -0.00 0.00 1.34 0.00 0.00 72.50 70.07 3hx1 s THR 33 CO -0.06 -0.10 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.21 3hx1 s ILE 34 N -1.83 0.68 -1.82 2.99 1.01 -0.06 -2.08 121.20 120.08 3hx1 s ILE 34 Ca 0.44 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.74 3hx1 s ILE 34 Cb -0.11 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.77 3hx1 s ILE 34 CO 0.25 0.20 0.00 0.61 0.00 0.00 0.00 174.94 176.00 3hx1 n GLY 35 N 3.03 -1.75 0.09 6.18 0.00 -1.08 0.15 105.19 111.81 3hx1 n GLY 35 Ca -0.15 -1.12 0.13 0.00 0.00 0.00 0.00 46.02 44.88 3hx1 n GLY 35 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hx1 n ARG 36 N -0.35 0.28 -2.43 1.61 1.85 -0.39 -0.34 116.66 116.89 3hx1 n ARG 36 Ca 0.00 0.18 -0.30 0.00 -1.00 0.00 0.00 57.85 56.72 3hx1 n ARG 36 Cb 0.00 -1.77 -0.01 0.00 -1.05 0.00 0.00 32.46 29.62 3hx1 n ARG 36 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3hx1 s SER 37 N -4.47 6.41 0.59 2.89 0.15 -0.86 -4.78 113.70 113.63 3hx1 s SER 37 Ca 0.09 1.26 0.38 0.00 0.70 0.00 0.00 55.95 58.39 3hx1 s SER 37 Cb 0.12 -2.39 1.88 0.00 -1.71 0.00 0.00 66.02 63.93 3hx1 s SER 37 CO 0.64 -0.61 2.16 -0.65 1.20 0.00 0.00 173.24 175.98 3hx1 h PRO 38 N 0.52 0.00 -0.62 5.44 0.11 -1.91 -2.64 132.00 132.91 3hx1 h PRO 38 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 3hx1 h PRO 38 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3hx1 h PRO 38 CO 0.62 0.00 0.19 0.00 -0.21 0.00 0.00 178.00 178.61 3hx1 h ARG 39 N 0.00 0.96 -6.84 1.05 3.08 -1.92 -3.45 114.38 107.26 3hx1 h ARG 39 Ca 0.00 -0.21 -0.56 0.00 0.07 0.00 0.00 59.98 59.29 3hx1 h ARG 39 Cb 0.24 -0.14 0.11 0.00 0.08 0.00 0.00 29.97 30.26 3hx1 h ARG 39 CO 0.00 0.85 0.62 0.00 -1.07 0.00 0.00 179.97 180.37 3hx1 n ALA 40 N -2.40 1.76 -0.23 0.04 0.00 -1.00 -4.93 120.51 113.76 3hx1 n ALA 40 Ca 0.04 0.34 -0.08 0.00 0.00 0.00 0.00 53.44 53.75 3hx1 n ALA 40 Cb 0.21 -2.33 0.03 0.00 0.00 0.00 0.00 19.45 17.37 3hx1 n ALA 40 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hx1 h ASP 41 N 2.68 0.93 -3.79 0.00 3.32 -1.75 -3.38 116.42 114.43 3hx1 h ASP 41 Ca -0.48 -0.21 -0.67 0.00 0.02 0.00 0.00 57.03 55.68 3hx1 h ASP 41 Cb 1.27 -0.24 -0.36 0.00 0.22 0.00 0.00 39.33 40.21 3hx1 h ASP 41 CO 0.63 0.90 -0.74 -0.63 -1.72 0.00 0.00 179.24 177.67 3hx1 s ILE 42 N -5.40 2.54 0.03 0.35 1.01 -0.88 -5.00 121.20 113.85 3hx1 s ILE 42 Ca -0.12 -1.65 -0.30 0.00 0.00 0.00 0.00 60.65 58.57 3hx1 s ILE 42 Cb 0.14 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 3hx1 s ILE 42 CO 0.82 -0.16 1.00 -0.13 0.00 0.00 0.00 174.94 176.47 3hx1 s ARG 43 N 1.13 4.57 -0.41 2.79 0.52 -1.26 -2.65 118.95 123.65 3hx1 s ARG 43 Ca -0.04 1.47 0.02 0.00 -0.52 0.00 0.00 55.73 56.65 3hx1 s ARG 43 Cb -0.20 -3.43 0.11 0.00 0.52 0.00 0.00 34.95 31.95 3hx1 s ARG 43 CO -0.04 -0.02 0.15 0.42 0.02 0.00 0.00 175.30 175.84 3hx1 s ILE 44 N 0.80 2.67 -0.42 1.52 1.09 0.54 -4.92 121.20 122.48 3hx1 s ILE 44 Ca 0.52 -2.51 -0.28 0.00 -1.10 0.00 0.00 60.65 57.28 3hx1 s ILE 44 Cb -0.22 -2.89 -0.02 0.00 -1.06 0.00 0.00 42.46 38.27 3hx1 s ILE 44 CO 0.29 -0.68 1.77 -0.75 -0.10 0.00 0.00 174.94 175.47 3hx1 s LYS 45 N 0.66 3.15 -0.26 2.79 2.20 -1.26 -3.54 119.74 123.48 3hx1 s LYS 45 Ca 0.12 1.12 -0.35 0.00 -0.36 0.00 0.00 55.97 56.50 3hx1 s LYS 45 Cb -0.21 -4.23 0.16 0.00 -1.51 0.00 0.00 37.83 32.04 3hx1 s LYS 45 CO -0.05 -2.08 1.32 0.45 -0.36 0.00 0.00 175.35 174.62 3hx1 s SER 46 N 6.43 -0.06 0.21 1.43 0.15 -1.26 -1.62 113.70 118.97 3hx1 s SER 46 Ca 0.74 0.02 0.24 0.00 0.70 0.00 0.00 55.95 57.65 3hx1 s SER 46 Cb -0.18 0.06 0.30 0.00 -1.71 0.00 0.00 66.02 64.49 3hx1 s SER 46 CO 0.30 -0.09 1.34 0.06 1.20 0.00 0.00 173.24 176.05 3hx1 h GLN 47 N 2.03 0.00 -0.00 5.44 3.07 -1.96 -3.21 115.11 120.47 3hx1 h GLN 47 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.68 3hx1 h GLN 47 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.71 3hx1 h GLN 47 CO 0.21 0.00 -0.14 1.19 0.09 0.00 0.00 178.83 180.18 3hx1 n PHE 48 N -2.47 0.00 -3.93 0.06 3.72 -1.26 -4.76 117.46 108.82 3hx1 n PHE 48 Ca 0.03 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.08 3hx1 n PHE 48 Cb 0.49 -0.24 -0.09 0.00 -0.94 0.00 0.00 39.48 38.70 3hx1 n PHE 48 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3hx1 s VAL 49 N -2.61 4.93 0.92 -4.37 1.01 -1.22 -4.77 120.40 114.30 3hx1 s VAL 49 Ca 0.25 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 3hx1 s VAL 49 Cb 0.20 -3.23 0.15 0.00 0.00 0.00 0.00 36.38 33.49 3hx1 s VAL 49 CO 0.51 0.45 1.09 -0.44 0.00 0.00 0.00 175.10 176.71 3hx1 s SER 50 N 0.42 3.09 0.24 3.32 0.01 -1.26 -4.38 113.70 115.14 3hx1 s SER 50 Ca 0.04 1.73 -0.04 0.00 1.31 0.00 0.00 55.95 58.99 3hx1 s SER 50 Cb -0.12 -2.35 0.45 0.00 0.21 0.00 0.00 66.02 64.21 3hx1 s SER 50 CO -0.00 -2.91 1.74 0.03 0.41 0.00 0.00 173.24 172.50 3hx1 h ARG 51 N -1.74 0.46 -3.35 12.44 3.08 -1.93 -1.03 114.38 122.31 3hx1 h ARG 51 Ca -0.49 -0.03 -0.57 0.00 0.07 0.00 0.00 59.98 58.97 3hx1 h ARG 51 Cb 1.28 -0.10 -0.40 0.00 0.08 0.00 0.00 29.97 30.83 3hx1 h ARG 51 CO 0.50 0.30 -0.76 0.42 -1.07 0.00 0.00 179.97 179.36 3hx1 s ILE 52 N -6.02 0.62 0.02 2.04 -1.09 -1.26 -2.03 121.20 113.47 3hx1 s ILE 52 Ca -0.12 -1.23 0.06 0.00 -2.23 0.00 0.00 60.65 57.13 3hx1 s ILE 52 Cb 0.20 -1.48 -0.24 0.00 -1.58 0.00 0.00 42.46 39.36 3hx1 s ILE 52 CO 0.76 -0.69 0.90 -0.74 -1.23 0.00 0.00 174.94 173.94 3hx1 h HIS 53 N 8.17 0.14 -2.31 3.97 2.76 0.13 -3.28 115.15 124.73 3hx1 h HIS 53 Ca -0.15 -0.11 0.04 0.00 -2.20 0.00 0.00 60.37 57.95 3hx1 h HIS 53 Cb 1.01 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 3hx1 h HIS 53 CO 0.34 1.13 0.25 0.00 -1.30 0.00 0.00 177.93 178.35 3hx1 n ALA 54 N -2.54 -1.25 -2.87 5.26 0.00 -0.90 -1.21 120.51 117.00 3hx1 n ALA 54 Ca -0.12 -0.63 -0.09 0.00 0.00 0.00 0.00 53.44 52.60 3hx1 n ALA 54 Cb 1.01 0.43 -0.11 0.00 0.00 0.00 0.00 19.45 20.79 3hx1 n ALA 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hx1 s VAL 55 N -2.39 0.12 -0.15 0.00 -7.23 -0.65 -0.88 120.40 109.21 3hx1 s VAL 55 Ca 0.11 -1.00 0.02 0.00 -1.81 0.00 0.00 61.98 59.30 3hx1 s VAL 55 Cb -0.02 -0.50 0.02 0.00 0.56 0.00 0.00 36.38 36.44 3hx1 s VAL 55 CO 0.05 -0.55 -0.19 -0.76 -0.31 0.00 0.00 175.10 173.33 3hx1 s LEU 56 N -1.69 2.01 -0.11 1.32 1.43 0.59 -1.20 118.68 121.03 3hx1 s LEU 56 Ca -0.12 -0.58 0.03 0.00 -1.03 0.00 0.00 54.13 52.42 3hx1 s LEU 56 Cb -0.07 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.78 3hx1 s LEU 56 CO -0.02 0.02 -0.19 0.68 0.23 0.00 0.00 176.35 177.08 3hx1 s VAL 57 N 1.11 1.71 0.20 -1.59 -7.23 -0.28 -0.80 120.40 113.52 3hx1 s VAL 57 Ca -0.01 -0.79 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 3hx1 s VAL 57 Cb -0.14 -1.53 -0.08 0.00 0.56 0.00 0.00 36.38 35.19 3hx1 s VAL 57 CO -0.07 0.48 0.91 -0.60 -0.31 0.00 0.00 175.10 175.51 3hx1 s ARG 58 N 0.73 4.77 0.00 4.82 3.52 0.32 -0.91 118.95 132.20 3hx1 s ARG 58 Ca -0.11 1.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.90 3hx1 s ARG 58 Cb -0.16 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 3hx1 s ARG 58 CO 0.02 0.48 0.00 0.36 -0.81 0.00 0.00 175.30 175.35 3hx1 n LYS 59 N 1.72 0.00 0.00 5.12 -0.00 -1.26 -4.95 118.16 118.78 3hx1 n LYS 59 Ca -0.02 0.35 0.00 0.00 -0.00 0.00 0.00 58.31 58.64 3hx1 n LYS 59 Cb 0.48 -0.83 0.00 0.00 -0.00 0.00 0.00 35.03 34.67 3hx1 n LYS 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hx1 n ALA 66 N -1.86 0.00 -2.44 0.58 0.00 -1.26 -5.13 120.51 110.40 3hx1 n ALA 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hx1 n ALA 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hx1 n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hx1 n ALA 67 N 2.34 0.00 -2.84 0.00 0.00 -1.26 -5.14 120.51 113.61 3hx1 n ALA 67 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 3hx1 n ALA 67 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3hx1 n ALA 67 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hx1 s TYR 68 N 1.87 3.50 -0.05 0.00 2.02 -1.26 -4.58 117.35 118.85 3hx1 s TYR 68 Ca 0.00 0.35 0.04 0.00 -0.37 0.00 0.00 57.07 57.09 3hx1 s TYR 68 Cb 0.00 -1.84 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 3hx1 s TYR 68 CO 0.00 0.54 -0.16 0.50 -1.57 0.00 0.00 175.55 174.86 3hx1 s ARG 69 N -2.57 2.47 -0.14 -0.62 3.52 -0.08 -1.42 118.95 120.10 3hx1 s ARG 69 Ca 0.37 -0.73 -0.01 0.00 -0.13 0.00 0.00 55.73 55.23 3hx1 s ARG 69 Cb -0.13 -2.34 -0.01 0.00 -1.56 0.00 0.00 34.95 30.91 3hx1 s ARG 69 CO 0.27 0.60 -0.11 -1.50 -0.81 0.00 0.00 175.30 173.75 3hx1 s ILE 70 N -0.68 3.15 -0.04 4.11 2.07 -0.31 -1.12 121.20 128.39 3hx1 s ILE 70 Ca 0.11 -0.62 0.05 0.00 -1.41 0.00 0.00 60.65 58.78 3hx1 s ILE 70 Cb -0.11 -2.34 -0.02 0.00 0.13 0.00 0.00 42.46 40.12 3hx1 s ILE 70 CO 0.00 0.51 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.74 3hx1 s ILE 71 N 0.48 2.77 0.37 2.00 1.09 -0.34 -1.41 121.20 126.17 3hx1 s ILE 71 Ca -0.08 -0.86 -0.24 0.00 -1.10 0.00 0.00 60.65 58.37 3hx1 s ILE 71 Cb -0.15 -2.06 -0.10 0.00 -1.06 0.00 0.00 42.46 39.08 3hx1 s ILE 71 CO 0.04 0.57 0.97 -0.62 -0.10 0.00 0.00 174.94 175.81 3hx1 s ASP 72 N -0.74 7.07 0.00 3.58 2.15 0.13 -1.64 116.67 127.21 3hx1 s ASP 72 Ca 0.11 1.85 0.00 0.00 0.43 0.00 0.00 52.55 54.94 3hx1 s ASP 72 Cb -0.10 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 3hx1 s ASP 72 CO 0.00 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 3hx1 n GLY 73 N 0.16 1.41 1.90 2.66 0.00 -0.35 -4.75 105.19 106.23 3hx1 n GLY 73 Ca 0.04 -1.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.02 3hx1 n GLY 73 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hx1 n ASP 74 N -0.23 -0.20 0.26 1.61 5.68 0.14 -3.52 116.55 120.28 3hx1 n ASP 74 Ca 0.00 -1.18 0.09 0.00 -0.50 0.00 0.00 54.79 53.21 3hx1 n ASP 74 Cb 0.00 -0.51 0.66 0.00 -1.14 0.00 0.00 41.12 40.14 3hx1 n ASP 74 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3hx1 h GLU 75 N 0.00 0.00 0.00 0.11 5.08 -1.90 0.06 114.58 117.92 3hx1 h GLU 75 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3hx1 h GLU 75 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3hx1 h GLU 75 CO 0.15 0.09 0.00 -0.25 -1.00 0.00 0.00 179.01 178.00 3hx1 n ASP 76 N -4.14 0.31 0.00 1.42 9.92 -1.26 -4.87 116.55 117.93 3hx1 n ASP 76 Ca -0.03 0.55 0.00 0.00 -0.53 0.00 0.00 54.79 54.78 3hx1 n ASP 76 Cb 0.17 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.03 3hx1 n ASP 76 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hx1 n GLY 77 N 0.79 0.84 3.67 0.44 0.00 0.01 -5.05 105.19 105.89 3hx1 n GLY 77 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3hx1 n GLY 77 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hx1 s GLN 78 N -0.69 4.26 0.60 1.61 0.74 -1.26 -4.75 119.66 120.18 3hx1 s GLN 78 Ca 0.00 0.70 -0.01 0.00 0.05 0.00 0.00 55.36 56.10 3hx1 s GLN 78 Cb 0.00 -3.55 0.05 0.00 1.10 0.00 0.00 33.01 30.61 3hx1 s GLN 78 CO 0.00 -0.18 0.85 -1.54 -0.55 0.00 0.00 175.29 173.87 3hx1 s SER 79 N 1.10 5.07 0.43 6.67 1.04 -1.26 0.28 113.70 127.04 3hx1 s SER 79 Ca 0.31 0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.82 3hx1 s SER 79 Cb -0.16 -0.84 0.06 0.00 0.10 0.00 0.00 66.02 65.18 3hx1 s SER 79 CO 0.12 -1.32 0.41 -1.54 0.98 0.00 0.00 173.24 171.89 3hx1 n SER 80 N -2.53 0.73 -0.07 7.02 3.41 -1.26 -4.92 113.62 115.99 3hx1 n SER 80 Ca 0.09 -1.57 -0.13 0.00 -0.26 0.00 0.00 58.87 57.00 3hx1 n SER 80 Cb 0.60 -0.25 -0.10 0.00 -0.26 0.00 0.00 64.21 64.20 3hx1 n SER 80 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3hx1 h VAL 81 N -0.28 1.20 -3.56 -3.33 3.04 -2.00 -3.42 116.25 107.90 3hx1 h VAL 81 Ca -0.14 -2.00 -0.63 0.00 -1.01 0.00 0.00 66.70 62.93 3hx1 h VAL 81 Cb 0.55 2.37 -0.13 0.00 -2.01 0.00 0.00 31.29 32.06 3hx1 h VAL 81 CO 0.16 0.41 0.16 0.20 -1.01 0.00 0.00 177.57 177.49 3hx1 s ASN 82 N -6.20 6.44 0.00 3.17 -0.87 -1.26 -5.02 114.94 111.20 3hx1 s ASN 82 Ca -0.17 0.20 0.00 0.00 -1.57 0.00 0.00 52.86 51.32 3hx1 s ASN 82 Cb -0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 41.25 38.89 3hx1 s ASN 82 CO 0.52 -0.59 0.00 0.61 -2.57 0.00 0.00 177.10 175.08 3hx1 n GLY 83 N 4.62 0.77 2.93 0.66 0.00 -1.26 -4.88 105.19 108.03 3hx1 n GLY 83 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3hx1 n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hx1 n LEU 84 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.67 117.00 116.84 3hx1 n LEU 84 Ca 0.00 -2.39 0.00 0.00 -0.03 0.00 0.00 56.01 53.59 3hx1 n LEU 84 Cb 0.00 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3hx1 n LEU 84 CO 0.00 -0.43 0.00 -0.38 -1.33 0.00 0.00 177.39 175.25 3hx1 n ILE 86 N -1.24 0.00 -3.64 -0.08 5.41 -0.56 -0.95 119.36 118.31 3hx1 n ILE 86 Ca -0.10 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.44 3hx1 n ILE 86 Cb 0.50 0.00 0.05 0.00 -0.71 0.00 0.00 39.64 39.48 3hx1 n ILE 86 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3hx1 n ASN 87 N 0.00 -2.05 0.00 4.38 5.03 -1.26 -2.19 115.26 119.17 3hx1 n ASN 87 Ca 0.00 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.71 3hx1 n ASN 87 Cb 0.00 -4.41 0.00 0.00 -1.02 0.00 0.00 39.78 34.35 3hx1 n ASN 87 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hx1 n GLY 88 N -1.49 1.36 3.21 7.41 0.00 -1.26 -5.00 105.19 109.42 3hx1 n GLY 88 Ca -0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 3hx1 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx1 s LYS 89 N -0.16 2.44 0.10 1.61 1.02 -0.93 -5.11 119.74 118.71 3hx1 s LYS 89 Ca 0.00 -0.80 -0.31 0.00 0.02 0.00 0.00 55.97 54.88 3hx1 s LYS 89 Cb 0.00 -2.00 -0.08 0.00 -0.52 0.00 0.00 37.83 35.23 3hx1 s LYS 89 CO 0.00 0.27 1.47 0.15 -0.92 0.00 0.00 175.35 176.32 3hx1 s LYS 90 N 0.07 4.27 0.19 1.68 3.01 -1.26 -1.50 119.74 126.21 3hx1 s LYS 90 Ca -0.08 2.16 0.08 0.00 -1.01 0.00 0.00 55.97 57.12 3hx1 s LYS 90 Cb -0.14 -3.32 -0.04 0.00 -1.01 0.00 0.00 37.83 33.31 3hx1 s LYS 90 CO 0.05 -0.54 -0.16 0.14 0.51 0.00 0.00 175.35 175.34 3hx1 s VAL 91 N 1.52 1.83 -0.18 3.17 -7.23 -0.12 -4.98 120.40 114.41 3hx1 s VAL 91 Ca 0.67 -2.11 -0.17 0.00 -1.81 0.00 0.00 61.98 58.56 3hx1 s VAL 91 Cb -0.38 -1.98 -0.14 0.00 0.56 0.00 0.00 36.38 34.45 3hx1 s VAL 91 CO 0.30 -0.47 0.11 1.56 -0.31 0.00 0.00 175.10 176.29 3hx1 h GLN 92 N 2.82 0.00 -4.42 4.82 1.08 -1.92 -3.35 115.11 114.13 3hx1 h GLN 92 Ca -0.40 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 56.60 3hx1 h GLN 92 Cb 1.22 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 28.48 3hx1 h GLN 92 CO 0.57 0.64 -0.70 -1.83 -0.95 0.00 0.00 178.83 176.56 3hx1 s GLU 93 N -2.29 0.63 -0.25 1.46 -1.05 -1.25 0.17 118.70 116.11 3hx1 s GLU 93 Ca -0.23 -1.07 -0.17 0.00 -0.15 0.00 0.00 54.97 53.35 3hx1 s GLU 93 Cb 0.04 -0.07 0.07 0.00 -0.44 0.00 0.00 34.13 33.73 3hx1 s GLU 93 CO 0.45 -0.03 0.64 -1.58 0.95 0.00 0.00 175.26 175.69 3hx1 s HIS 94 N -2.89 -0.89 -0.57 4.83 2.46 -0.50 -4.96 115.29 112.78 3hx1 s HIS 94 Ca 0.02 1.89 -0.27 0.00 0.47 0.00 0.00 55.06 57.17 3hx1 s HIS 94 Cb 0.00 0.46 0.03 0.00 -0.13 0.00 0.00 32.58 32.94 3hx1 s HIS 94 CO -0.04 -0.44 1.11 0.42 -2.47 0.00 0.00 174.74 173.31 3hx1 s ILE 95 N 1.19 4.14 -0.04 0.89 1.01 -1.26 -1.16 121.20 125.98 3hx1 s ILE 95 Ca -0.07 0.72 -0.29 0.00 0.00 0.00 0.00 60.65 61.01 3hx1 s ILE 95 Cb -0.05 -4.66 -0.08 0.00 0.01 0.00 0.00 42.46 37.68 3hx1 s ILE 95 CO -0.12 -1.25 2.03 -0.63 0.00 0.00 0.00 174.94 174.97 3hx1 s ILE 96 N 4.61 3.02 -0.04 2.92 1.01 -0.51 -5.00 121.20 127.22 3hx1 s ILE 96 Ca 0.39 0.03 -0.04 0.00 0.00 0.00 0.00 60.65 61.03 3hx1 s ILE 96 Cb -0.09 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 3hx1 s ILE 96 CO 0.24 -0.01 0.18 -1.10 0.00 0.00 0.00 174.94 174.25 3hx1 s GLN 97 N 4.99 3.45 0.05 2.79 -1.52 -1.26 -4.58 119.66 123.57 3hx1 s GLN 97 Ca 0.92 -0.25 -0.30 0.00 -1.95 0.00 0.00 55.36 53.77 3hx1 s GLN 97 Cb -0.40 -3.12 -0.09 0.00 -0.22 0.00 0.00 33.01 29.18 3hx1 s GLN 97 CO 0.40 0.70 1.96 -2.37 -0.25 0.00 0.00 175.29 175.72 3hx1 n THR 98 N 1.22 0.71 0.00 -0.19 5.66 -1.26 -1.49 114.28 118.93 3hx1 n THR 98 Ca -0.13 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 3hx1 n THR 98 Cb 0.53 -2.30 0.00 0.00 -1.55 0.00 0.00 70.33 67.02 3hx1 n THR 98 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hx1 n GLY 99 N 4.51 0.93 3.77 1.09 0.00 0.15 -4.95 105.19 110.69 3hx1 n GLY 99 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3hx1 n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hx1 s ASP 100 N -1.51 7.09 -0.29 1.61 1.01 -0.55 -4.85 116.67 119.17 3hx1 s ASP 100 Ca 0.00 2.06 0.03 0.00 0.71 0.00 0.00 52.55 55.35 3hx1 s ASP 100 Cb 0.00 -2.60 0.08 0.00 1.01 0.00 0.00 42.92 41.41 3hx1 s ASP 100 CO 0.00 -0.26 -0.03 -0.70 0.21 0.00 0.00 175.17 174.39 3hx1 s GLU 101 N -2.00 1.74 -0.64 8.23 2.12 -1.26 -1.73 118.70 125.15 3hx1 s GLU 101 Ca 0.51 -1.45 -0.22 0.00 0.36 0.00 0.00 54.97 54.18 3hx1 s GLU 101 Cb -0.25 -2.88 0.08 0.00 0.26 0.00 0.00 34.13 31.34 3hx1 s GLU 101 CO 0.31 -0.74 0.90 0.42 -0.54 0.00 0.00 175.26 175.62 3hx1 s ILE 102 N 1.13 4.44 0.76 -3.70 1.09 -0.18 -4.48 121.20 120.26 3hx1 s ILE 102 Ca 0.00 -0.49 -0.12 0.00 -1.10 0.00 0.00 60.65 58.94 3hx1 s ILE 102 Cb -0.19 -4.63 0.05 0.00 -1.06 0.00 0.00 42.46 36.62 3hx1 s ILE 102 CO -0.08 -1.37 1.12 -0.69 -0.10 0.00 0.00 174.94 173.82 3hx1 s VAL 103 N 3.74 2.97 0.46 2.92 1.01 -1.26 -2.16 120.40 128.08 3hx1 s VAL 103 Ca 0.20 0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.39 3hx1 s VAL 103 Cb -0.18 -3.25 -0.08 0.00 0.00 0.00 0.00 36.38 32.87 3hx1 s VAL 103 CO 0.09 -0.41 -0.54 0.61 0.00 0.00 0.00 175.10 174.85 3hx1 n GLY 105 N -2.85 -1.81 3.67 4.51 0.00 -1.23 -4.66 105.19 102.82 3hx1 n GLY 105 Ca 0.07 -0.22 -0.45 0.00 0.00 0.00 0.00 46.02 45.42 3hx1 n GLY 105 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hx1 n PRO 106 N 1.16 2.54 -0.93 1.61 -0.02 -1.26 -1.83 135.00 136.28 3hx1 n PRO 106 Ca -0.01 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3hx1 n PRO 106 Cb 0.30 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 30.96 3hx1 n PRO 106 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3hx1 n GLN 107 N 6.70 -0.28 -4.71 -0.52 -0.06 -1.26 -4.93 117.38 112.32 3hx1 n GLN 107 Ca 0.21 0.07 -0.23 0.00 -2.00 0.00 0.00 57.00 55.05 3hx1 n GLN 107 Cb 0.35 -3.32 -0.15 0.00 -4.06 0.00 0.00 30.24 23.06 3hx1 n GLN 107 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3hx1 s VAL 108 N -2.44 1.22 -0.07 1.69 0.11 -0.76 -4.62 120.40 115.54 3hx1 s VAL 108 Ca 0.00 -0.68 -0.30 0.00 -2.93 0.00 0.00 61.98 58.07 3hx1 s VAL 108 Cb 0.00 -1.02 0.11 0.00 -1.53 0.00 0.00 36.38 33.95 3hx1 s VAL 108 CO 0.00 0.33 0.98 -0.94 -3.33 0.00 0.00 175.10 172.14 3hx1 s SER 109 N -0.40 -0.31 -0.08 3.54 1.04 -1.09 -3.55 113.70 112.86 3hx1 s SER 109 Ca 0.06 0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.55 3hx1 s SER 109 Cb -0.06 0.31 0.01 0.00 0.10 0.00 0.00 66.02 66.39 3hx1 s SER 109 CO -0.00 -0.49 -0.14 0.68 0.98 0.00 0.00 173.24 174.26 3hx1 s VAL 110 N -2.74 1.29 0.01 5.02 -7.23 -0.92 -1.85 120.40 113.99 3hx1 s VAL 110 Ca 0.05 -0.56 -0.01 0.00 -1.81 0.00 0.00 61.98 59.65 3hx1 s VAL 110 Cb -0.01 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.72 3hx1 s VAL 110 CO -0.07 0.39 0.13 -0.13 -0.31 0.00 0.00 175.10 175.11 3hx1 s ARG 111 N 0.69 3.22 0.07 4.82 0.52 -0.04 -1.01 118.95 127.21 3hx1 s ARG 111 Ca -0.14 -0.44 0.06 0.00 -0.52 0.00 0.00 55.73 54.70 3hx1 s ARG 111 Cb -0.16 -2.95 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 3hx1 s ARG 111 CO 0.04 0.65 -0.12 -0.47 0.02 0.00 0.00 175.30 175.41 3hx1 s TYR 112 N -1.29 2.70 -0.12 -0.53 6.14 -0.71 -0.46 117.35 123.08 3hx1 s TYR 112 Ca 0.26 -0.17 -0.12 0.00 0.64 0.00 0.00 57.07 57.69 3hx1 s TYR 112 Cb -0.12 -1.47 0.03 0.00 0.42 0.00 0.00 41.96 40.82 3hx1 s TYR 112 CO 0.18 0.36 0.33 -1.21 0.64 0.00 0.00 175.55 175.85 3hx1 s GLU 113 N -1.82 0.39 -0.88 4.97 2.02 -0.48 -0.67 118.70 122.23 3hx1 s GLU 113 Ca 0.18 0.44 -0.04 0.00 0.02 0.00 0.00 54.97 55.58 3hx1 s GLU 113 Cb -0.11 0.19 0.22 0.00 0.10 0.00 0.00 34.13 34.53 3hx1 s GLU 113 CO 0.10 -0.05 0.77 -0.47 0.02 0.00 0.00 175.26 175.63 3hx1 s TYR 114 N 0.14 3.86 0.35 1.61 5.04 -1.26 -1.34 117.35 125.75 3hx1 s TYR 114 Ca -0.00 -2.85 -0.25 0.00 -2.44 0.00 0.00 57.07 51.53 3hx1 s TYR 114 Cb -0.02 -3.37 -0.10 0.00 0.35 0.00 0.00 41.96 38.82 3hx1 s TYR 114 CO 0.01 -0.80 0.95 0.50 -1.34 0.00 0.00 175.55 174.86 3hx1 s ARG 115 N -1.01 4.48 -0.16 4.97 3.52 -0.79 -4.77 118.95 125.19 3hx1 s ARG 115 Ca 0.25 1.30 -0.12 0.00 -0.13 0.00 0.00 55.73 57.04 3hx1 s ARG 115 Cb -0.10 -2.66 -0.07 0.00 -1.56 0.00 0.00 34.95 30.56 3hx1 s ARG 115 CO -0.10 0.19 -0.08 -2.13 -0.81 0.00 0.00 175.30 172.37 3hx1 n ARG 116 N 0.28 0.48 -0.71 5.12 0.63 -1.26 0.14 116.66 121.33 3hx1 n ARG 116 Ca 0.03 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 3hx1 n ARG 116 Cb 0.51 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.71 3hx1 n ARG 116 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01