#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx1 s HIS 12 N 0.00 3.26 -0.08 -0.32 3.76 -1.26 0.59 115.29 121.24 3hx1 s HIS 12 Ca 0.00 -0.95 0.03 0.00 -0.15 0.00 0.00 55.06 54.00 3hx1 s HIS 12 Cb 0.00 -2.95 0.01 0.00 1.11 0.00 0.00 32.58 30.75 3hx1 s HIS 12 CO 0.00 -0.75 -0.17 0.96 -0.85 0.00 0.00 174.74 173.93 3hx1 s ILE 13 N 1.61 1.52 -0.23 0.60 -0.00 -0.90 0.60 121.20 124.40 3hx1 s ILE 13 Ca 0.04 -0.71 -0.09 0.00 -0.00 0.00 0.00 60.65 59.89 3hx1 s ILE 13 Cb -0.22 -1.34 -0.04 0.00 -0.00 0.00 0.00 42.46 40.85 3hx1 s ILE 13 CO 0.07 0.44 0.10 -0.22 -0.00 0.00 0.00 174.94 175.33 3hx1 s LEU 14 N 0.48 3.80 -0.25 0.37 2.96 -0.01 -2.01 118.68 124.02 3hx1 s LEU 14 Ca -0.15 -0.01 -0.13 0.00 -0.22 0.00 0.00 54.13 53.62 3hx1 s LEU 14 Cb -0.16 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 3hx1 s LEU 14 CO 0.06 0.06 0.26 -0.63 -1.32 0.00 0.00 176.35 174.78 3hx1 s ILE 15 N 1.07 5.27 -0.13 6.68 1.01 0.12 -0.63 121.20 134.60 3hx1 s ILE 15 Ca 0.05 0.38 -0.04 0.00 0.00 0.00 0.00 60.65 61.04 3hx1 s ILE 15 Cb -0.14 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 3hx1 s ILE 15 CO 0.04 0.26 0.00 -0.63 0.00 0.00 0.00 174.94 174.61 3hx1 s ILE 16 N 1.49 4.28 -0.32 2.92 1.01 0.12 -1.03 121.20 129.67 3hx1 s ILE 16 Ca 0.12 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.54 3hx1 s ILE 16 Cb -0.15 -2.85 0.10 0.00 0.01 0.00 0.00 42.46 39.57 3hx1 s ILE 16 CO 0.08 0.54 0.08 -0.76 0.00 0.00 0.00 174.94 174.87 3hx1 s LEU 17 N -0.20 3.21 0.00 2.97 1.43 -0.50 -1.14 118.68 124.45 3hx1 s LEU 17 Ca 0.05 -1.83 0.00 0.00 -1.03 0.00 0.00 54.13 51.32 3hx1 s LEU 17 Cb -0.12 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 44.93 3hx1 s LEU 17 CO 0.02 -0.40 0.00 -0.90 0.23 0.00 0.00 176.35 175.30 3hx1 n ASP 18 N 4.62 0.80 0.24 2.29 5.68 -0.58 -1.56 116.55 128.03 3hx1 n ASP 18 Ca 0.00 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.44 3hx1 n ASP 18 Cb 0.42 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 40.81 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 0.00 0.00 0.36 -1.12 3.32 -1.62 -2.50 116.42 114.86 3hx1 h ASP 19 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hx1 h ASP 19 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hx1 h ASP 19 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3hx1 n ALA 20 N -2.08 2.42 0.00 3.45 0.00 -1.26 -5.00 120.51 118.04 3hx1 n ALA 20 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3hx1 n ALA 20 Cb 0.42 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.96 0.35 2.87 0.00 0.00 -0.94 -4.98 105.19 103.45 3hx1 n GLY 21 Ca 0.15 -1.54 -0.18 0.00 0.00 0.00 0.00 46.02 44.46 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 0.51 0.27 1.61 3.52 -1.26 -1.52 118.95 122.07 3hx1 s ARG 22 Ca 0.00 -0.03 -0.13 0.00 -0.13 0.00 0.00 55.73 55.44 3hx1 s ARG 22 Cb 0.00 -0.59 0.00 0.00 -1.56 0.00 0.00 34.95 32.81 3hx1 s ARG 22 CO 0.00 -0.07 0.52 -0.98 -0.81 0.00 0.00 175.30 173.96 3hx1 s ARG 23 N 0.77 1.64 -0.00 5.12 1.70 -0.29 -5.00 118.95 122.88 3hx1 s ARG 23 Ca -0.09 -1.28 0.07 0.00 -0.47 0.00 0.00 55.73 53.97 3hx1 s ARG 23 Cb -0.12 0.49 -0.02 0.00 -0.57 0.00 0.00 34.95 34.73 3hx1 s ARG 23 CO -0.01 -0.69 -0.23 -1.21 -1.08 0.00 0.00 175.30 172.08 3hx1 s GLU 24 N -3.84 1.79 -0.05 3.89 2.02 -1.26 0.11 118.70 121.35 3hx1 s GLU 24 Ca 0.22 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.37 3hx1 s GLU 24 Cb -0.01 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.44 3hx1 s GLU 24 CO 0.10 0.48 -0.15 0.08 0.02 0.00 0.00 175.26 175.79 3hx1 s VAL 25 N -0.60 1.31 -0.39 2.63 1.01 0.20 -4.98 120.40 119.58 3hx1 s VAL 25 Ca 0.09 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 3hx1 s VAL 25 Cb -0.09 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.15 3hx1 s VAL 25 CO -0.00 0.39 0.92 -0.76 0.00 0.00 0.00 175.10 175.64 3hx1 s LEU 26 N 0.31 4.00 -0.22 3.92 1.02 -1.26 -0.83 118.68 125.61 3hx1 s LEU 26 Ca -0.09 0.47 -0.29 0.00 0.02 0.00 0.00 54.13 54.24 3hx1 s LEU 26 Cb -0.13 -3.24 0.01 0.00 0.02 0.00 0.00 46.19 42.85 3hx1 s LEU 26 CO 0.03 -0.89 1.09 -0.76 0.02 0.00 0.00 176.35 175.84 3hx1 s LEU 27 N 3.52 4.10 0.00 1.79 1.43 0.20 -4.79 118.68 124.94 3hx1 s LEU 27 Ca 0.38 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 3hx1 s LEU 27 Cb -0.12 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.56 3hx1 s LEU 27 CO 0.20 -0.70 0.00 1.07 0.23 0.00 0.00 176.35 177.15 3hx1 n THR 28 N 5.37 0.00 -2.50 5.49 5.66 -1.26 -4.33 114.28 122.71 3hx1 n THR 28 Ca 0.12 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.88 3hx1 n THR 28 Cb 0.46 0.00 0.11 0.00 -1.55 0.00 0.00 70.33 69.36 3hx1 n THR 28 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3hx1 s GLU 29 N -1.04 1.61 0.30 1.09 0.41 -1.26 -5.01 118.70 114.80 3hx1 s GLU 29 Ca 0.00 -0.99 0.23 0.00 -0.41 0.00 0.00 54.97 53.80 3hx1 s GLU 29 Cb 0.00 -2.27 0.14 0.00 -1.78 0.00 0.00 34.13 30.22 3hx1 s GLU 29 CO 0.00 -1.53 1.28 0.00 -0.49 0.00 0.00 175.26 174.53 3hx1 h THR 30 N -0.64 0.01 -3.15 3.63 1.03 -1.95 -3.43 112.91 108.41 3hx1 h THR 30 Ca -0.38 -1.02 -0.15 0.00 -0.01 0.00 0.00 66.41 64.85 3hx1 h THR 30 Cb 1.27 1.72 -0.24 0.00 -1.07 0.00 0.00 68.15 69.83 3hx1 h THR 30 CO 0.41 0.01 -0.40 0.12 -0.01 0.00 0.00 175.52 175.64 3hx1 s PHE 31 N -3.29 -0.23 -0.04 0.00 5.36 -1.26 -0.26 117.98 118.27 3hx1 s PHE 31 Ca 0.03 0.52 -0.07 0.00 -0.96 0.00 0.00 56.93 56.45 3hx1 s PHE 31 Cb 0.08 0.08 0.01 0.00 -0.34 0.00 0.00 43.02 42.84 3hx1 s PHE 31 CO 0.74 -0.20 0.17 0.71 -1.46 0.00 0.00 175.22 175.18 3hx1 s TYR 32 N -0.29 -0.09 0.00 10.12 2.02 -0.57 -4.97 117.35 123.57 3hx1 s TYR 32 Ca -0.04 0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.89 3hx1 s TYR 32 Cb -0.03 0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.51 3hx1 s TYR 32 CO 0.01 -0.19 -0.02 0.95 -1.57 0.00 0.00 175.55 174.73 3hx1 s THR 33 N -0.60 4.00 -0.08 -0.71 -4.23 -1.26 -0.80 115.64 111.96 3hx1 s THR 33 Ca -0.07 -0.67 0.03 0.00 -1.18 0.00 0.00 61.69 59.80 3hx1 s THR 33 Cb -0.04 -2.78 0.01 0.00 1.34 0.00 0.00 72.50 71.03 3hx1 s THR 33 CO 0.01 0.37 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.66 3hx1 s ILE 34 N -1.07 1.52 0.00 2.99 1.01 0.24 0.18 121.20 126.07 3hx1 s ILE 34 Ca 0.19 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.14 3hx1 s ILE 34 Cb -0.11 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.01 3hx1 s ILE 34 CO 0.10 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.09 3hx1 n GLY 35 N 3.70 0.17 0.02 6.18 0.00 -1.13 0.84 105.19 114.98 3hx1 n GLY 35 Ca -0.21 -0.95 0.14 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.23 0.32 -2.53 1.61 1.85 -0.40 -0.67 116.66 116.62 3hx1 n ARG 36 Ca 0.00 -0.05 -0.39 0.00 -1.00 0.00 0.00 57.85 56.41 3hx1 n ARG 36 Cb 0.00 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 29.87 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 -2.71 7.22 0.00 2.89 0.15 -0.79 -4.76 113.70 115.70 3hx1 s SER 37 Ca 0.23 2.18 0.10 0.00 0.70 0.00 0.00 55.95 59.16 3hx1 s SER 37 Cb 0.20 -2.62 0.56 0.00 -1.71 0.00 0.00 66.02 62.45 3hx1 s SER 37 CO 0.50 -0.17 1.09 -0.81 1.20 0.00 0.00 173.24 175.05 3hx1 n PRO 38 N 0.98 0.25 0.00 5.44 -0.04 -1.26 -1.41 135.00 138.96 3hx1 n PRO 38 Ca -0.00 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 3hx1 n PRO 38 Cb 0.46 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 3hx1 n PRO 38 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hx1 n ARG 39 N -1.09 0.86 -2.15 0.54 5.12 -1.26 -4.94 116.66 113.73 3hx1 n ARG 39 Ca 0.07 -0.68 -0.40 0.00 -1.93 0.00 0.00 57.85 54.90 3hx1 n ARG 39 Cb 0.05 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 29.85 3hx1 n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hx1 s ALA 40 N -2.63 3.39 0.18 7.54 0.00 -0.50 -4.91 121.76 124.84 3hx1 s ALA 40 Ca 0.15 1.19 -0.13 0.00 0.00 0.00 0.00 51.96 53.17 3hx1 s ALA 40 Cb 0.17 -3.46 0.10 0.00 0.00 0.00 0.00 23.12 19.93 3hx1 s ALA 40 CO 0.66 -0.63 1.84 -0.44 0.00 0.00 0.00 175.76 177.19 3hx1 h ASP 41 N 3.17 0.72 -3.75 0.00 3.32 -1.71 -3.35 116.42 114.82 3hx1 h ASP 41 Ca -0.49 -0.04 -0.67 0.00 0.02 0.00 0.00 57.03 55.85 3hx1 h ASP 41 Cb 1.23 -0.18 -0.38 0.00 0.22 0.00 0.00 39.33 40.22 3hx1 h ASP 41 CO 0.65 0.55 -0.61 -0.63 -1.72 0.00 0.00 179.24 177.47 3hx1 s ILE 42 N -6.06 2.83 0.02 0.35 1.01 0.13 -4.92 121.20 114.57 3hx1 s ILE 42 Ca -0.13 -2.43 -0.30 0.00 0.00 0.00 0.00 60.65 57.79 3hx1 s ILE 42 Cb 0.13 -2.99 -0.07 0.00 0.01 0.00 0.00 42.46 39.55 3hx1 s ILE 42 CO 0.76 -0.69 1.56 -0.60 0.00 0.00 0.00 174.94 175.98 3hx1 s ARG 43 N 0.74 4.22 -0.14 2.79 3.52 -1.26 -2.81 118.95 126.01 3hx1 s ARG 43 Ca 0.11 2.18 -0.02 0.00 -0.13 0.00 0.00 55.73 57.87 3hx1 s ARG 43 Cb -0.21 -3.65 -0.02 0.00 -1.56 0.00 0.00 34.95 29.50 3hx1 s ARG 43 CO -0.05 -0.70 -0.06 0.42 -0.81 0.00 0.00 175.30 174.10 3hx1 s ILE 44 N 2.78 3.68 -0.58 4.11 -1.09 0.16 -4.94 121.20 125.33 3hx1 s ILE 44 Ca 0.70 -0.44 -0.16 0.00 -2.23 0.00 0.00 60.65 58.52 3hx1 s ILE 44 Cb -0.36 -2.59 0.13 0.00 -1.58 0.00 0.00 42.46 38.07 3hx1 s ILE 44 CO 0.30 0.52 0.56 -0.75 -1.23 0.00 0.00 174.94 174.33 3hx1 s LYS 45 N 0.19 3.05 -0.29 2.79 2.20 -1.26 -3.81 119.74 122.61 3hx1 s LYS 45 Ca -0.03 -1.72 -0.18 0.00 -0.36 0.00 0.00 55.97 53.68 3hx1 s LYS 45 Cb -0.14 -4.31 0.17 0.00 -1.51 0.00 0.00 37.83 32.03 3hx1 s LYS 45 CO 0.03 -1.36 1.11 0.45 -0.36 0.00 0.00 175.35 175.23 3hx1 s SER 46 N 3.48 -0.32 0.14 1.43 0.15 -1.26 -1.73 113.70 115.58 3hx1 s SER 46 Ca 0.06 0.54 0.21 0.00 0.70 0.00 0.00 55.95 57.45 3hx1 s SER 46 Cb -0.27 1.01 0.85 0.00 -1.71 0.00 0.00 66.02 65.89 3hx1 s SER 46 CO 0.02 -0.09 1.64 1.67 1.20 0.00 0.00 173.24 177.69 3hx1 n GLN 47 N 3.14 0.11 -0.04 5.44 7.27 -1.26 -2.78 117.38 129.26 3hx1 n GLN 47 Ca -0.17 0.31 0.12 0.00 0.07 0.00 0.00 57.00 57.33 3hx1 n GLN 47 Cb 0.57 -1.70 0.14 0.00 2.41 0.00 0.00 30.24 31.66 3hx1 n GLN 47 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 3hx1 n PHE 48 N -1.91 0.10 -3.75 3.69 3.72 -1.26 -4.87 117.46 113.18 3hx1 n PHE 48 Ca 0.03 -0.05 -0.35 0.00 -0.05 0.00 0.00 57.45 57.03 3hx1 n PHE 48 Cb 0.23 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.68 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 -1.90 5.27 0.92 -4.37 1.01 -1.12 -4.84 120.40 115.38 3hx1 s VAL 49 Ca 0.31 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.32 3hx1 s VAL 49 Cb 0.21 -3.42 0.11 0.00 0.00 0.00 0.00 36.38 33.28 3hx1 s VAL 49 CO 0.30 0.41 0.93 -1.20 0.00 0.00 0.00 175.10 175.54 3hx1 n SER 50 N 3.80 -0.38 -0.23 3.32 7.64 -1.26 -4.16 113.62 122.35 3hx1 n SER 50 Ca -0.16 0.40 0.04 0.00 1.01 0.00 0.00 58.87 60.16 3hx1 n SER 50 Cb 0.52 -1.40 0.16 0.00 -1.01 0.00 0.00 64.21 62.48 3hx1 n SER 50 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3hx1 h ARG 51 N -1.77 0.30 -2.80 1.43 3.08 -1.93 -1.04 114.38 111.66 3hx1 h ARG 51 Ca -0.43 -0.02 -0.60 0.00 0.07 0.00 0.00 59.98 59.00 3hx1 h ARG 51 Cb 1.27 -0.07 -0.40 0.00 0.08 0.00 0.00 29.97 30.86 3hx1 h ARG 51 CO 0.39 0.20 -0.79 0.42 -1.07 0.00 0.00 179.97 179.12 3hx1 s ILE 52 N -6.06 0.97 0.07 2.04 -1.09 -1.26 -1.89 121.20 113.99 3hx1 s ILE 52 Ca -0.13 -2.40 -0.16 0.00 -2.23 0.00 0.00 60.65 55.73 3hx1 s ILE 52 Cb 0.20 -1.68 -0.13 0.00 -1.58 0.00 0.00 42.46 39.27 3hx1 s ILE 52 CO 0.75 -0.97 1.34 -0.74 -1.23 0.00 0.00 174.94 174.09 3hx1 h HIS 53 N 6.62 0.75 -2.86 3.97 2.76 0.48 -3.30 115.15 123.56 3hx1 h HIS 53 Ca 0.05 -0.26 0.09 0.00 -2.20 0.00 0.00 60.37 58.05 3hx1 h HIS 53 Cb 0.93 -0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.69 3hx1 h HIS 53 CO 0.45 1.00 0.28 0.00 -1.30 0.00 0.00 177.93 178.37 3hx1 s ALA 54 N -4.10 -1.33 0.14 5.26 0.00 -0.61 -0.95 121.76 120.16 3hx1 s ALA 54 Ca -0.13 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.73 3hx1 s ALA 54 Cb 0.07 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 3hx1 s ALA 54 CO 0.82 -1.02 -0.14 0.14 0.00 0.00 0.00 175.76 175.56 3hx1 s VAL 55 N -3.78 1.36 -0.09 0.00 -7.23 -0.41 0.82 120.40 111.08 3hx1 s VAL 55 Ca 0.11 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 58.48 3hx1 s VAL 55 Cb -0.05 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.24 3hx1 s VAL 55 CO 0.05 -0.48 -0.20 -0.76 -0.31 0.00 0.00 175.10 173.40 3hx1 s LEU 56 N -2.65 2.36 -0.14 1.32 1.43 0.02 -0.79 118.68 120.22 3hx1 s LEU 56 Ca 0.12 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 3hx1 s LEU 56 Cb -0.03 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.72 3hx1 s LEU 56 CO 0.03 0.21 -0.17 -0.69 0.23 0.00 0.00 176.35 175.96 3hx1 s VAL 57 N 0.09 1.74 0.39 -1.59 1.01 -0.56 -1.51 120.40 119.97 3hx1 s VAL 57 Ca -0.09 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 60.93 3hx1 s VAL 57 Cb -0.15 -1.58 -0.10 0.00 0.00 0.00 0.00 36.38 34.54 3hx1 s VAL 57 CO 0.06 0.49 0.89 -0.60 0.00 0.00 0.00 175.10 175.93 3hx1 s ARG 58 N 1.17 4.20 -0.04 2.72 3.52 0.64 -1.72 118.95 129.44 3hx1 s ARG 58 Ca -0.01 1.01 0.00 0.00 -0.13 0.00 0.00 55.73 56.61 3hx1 s ARG 58 Cb -0.14 -2.31 0.03 0.00 -1.56 0.00 0.00 34.95 30.97 3hx1 s ARG 58 CO -0.07 0.05 -0.01 -1.59 -0.81 0.00 0.00 175.30 172.87 3hx1 s LYS 59 N -3.02 0.47 -0.25 5.12 0.00 -0.01 -4.97 119.74 117.08 3hx1 s LYS 59 Ca 0.59 0.04 -0.01 0.00 0.00 0.00 0.00 55.97 56.58 3hx1 s LYS 59 Cb -0.10 -0.64 0.08 0.00 0.00 0.00 0.00 37.83 37.16 3hx1 s LYS 59 CO 0.15 -0.15 0.05 -1.54 0.00 0.00 0.00 175.35 173.86 3hx1 s SER 60 N 1.14 3.54 0.75 0.03 1.04 -1.26 -1.04 113.70 117.90 3hx1 s SER 60 Ca -0.08 -1.23 -0.03 0.00 0.48 0.00 0.00 55.95 55.09 3hx1 s SER 60 Cb -0.14 -0.81 0.13 0.00 0.10 0.00 0.00 66.02 65.31 3hx1 s SER 60 CO -0.02 -0.34 1.03 -0.44 0.98 0.00 0.00 173.24 174.46 3hx1 s SER 61 N 1.68 4.24 -0.16 7.02 0.01 -1.26 -5.05 113.70 120.18 3hx1 s SER 61 Ca 0.03 -0.20 -0.16 0.00 1.31 0.00 0.00 55.95 56.93 3hx1 s SER 61 Cb -0.17 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 3hx1 s SER 61 CO -0.15 -1.94 0.41 1.51 0.41 0.00 0.00 173.24 173.48 3hx1 s ASP 62 N -4.73 6.55 0.00 2.44 3.84 -1.26 -4.08 116.67 119.43 3hx1 s ASP 62 Ca 0.67 0.65 0.00 0.00 -0.00 0.00 0.00 52.55 53.86 3hx1 s ASP 62 Cb -0.06 -2.24 0.00 0.00 -1.38 0.00 0.00 42.92 39.24 3hx1 s ASP 62 CO 0.45 -0.00 0.00 -0.90 -0.00 0.00 0.00 175.17 174.72 3hx1 n ASP 63 N 3.92 -2.70 -4.15 2.11 3.85 -1.26 -4.99 116.55 113.32 3hx1 n ASP 63 Ca -0.08 0.00 -0.10 0.00 -0.71 0.00 0.00 54.79 53.90 3hx1 n ASP 63 Cb 0.51 -0.94 -0.10 0.00 -1.35 0.00 0.00 41.12 39.24 3hx1 n ASP 63 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3hx1 s VAL 64 N -2.20 0.44 0.51 2.12 0.11 -1.26 -5.15 120.40 114.96 3hx1 s VAL 64 Ca 0.00 -1.90 -0.21 0.00 -2.93 0.00 0.00 61.98 56.94 3hx1 s VAL 64 Cb 0.00 -1.76 -0.09 0.00 -1.53 0.00 0.00 36.38 33.01 3hx1 s VAL 64 CO 0.00 -0.79 0.85 1.67 -3.33 0.00 0.00 175.10 173.50 3hx1 n GLN 65 N -0.03 0.96 -2.80 1.54 7.27 -1.26 -4.48 117.38 118.58 3hx1 n GLN 65 Ca -0.11 0.36 -0.28 0.00 0.07 0.00 0.00 57.00 57.04 3hx1 n GLN 65 Cb 0.62 -1.95 -0.01 0.00 2.41 0.00 0.00 30.24 31.30 3hx1 n GLN 65 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hx1 s ALA 66 N -1.46 3.43 -0.02 1.69 0.00 -1.26 -4.41 121.76 119.73 3hx1 s ALA 66 Ca 0.68 -0.46 -0.22 0.00 0.00 0.00 0.00 51.96 51.96 3hx1 s ALA 66 Cb -0.50 -2.56 0.04 0.00 0.00 0.00 0.00 23.12 20.11 3hx1 s ALA 66 CO 0.53 -0.19 0.48 0.00 0.00 0.00 0.00 175.76 176.58 3hx1 s ALA 67 N -2.56 -1.22 -0.07 0.00 0.00 -0.21 -4.98 121.76 112.72 3hx1 s ALA 67 Ca 0.47 0.72 -0.03 0.00 0.00 0.00 0.00 51.96 53.12 3hx1 s ALA 67 Cb -0.10 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 3hx1 s ALA 67 CO 0.40 -0.34 0.09 0.71 0.00 0.00 0.00 175.76 176.62 3hx1 s TYR 68 N -1.50 3.40 -0.06 0.00 2.02 -1.26 -0.83 117.35 119.11 3hx1 s TYR 68 Ca -0.11 0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.94 3hx1 s TYR 68 Cb -0.02 -1.83 -0.03 0.00 -0.40 0.00 0.00 41.96 39.68 3hx1 s TYR 68 CO 0.05 0.61 -0.09 0.50 -1.57 0.00 0.00 175.55 175.05 3hx1 s ARG 69 N -1.30 2.66 -0.16 -0.62 3.52 -0.70 0.66 118.95 123.02 3hx1 s ARG 69 Ca 0.18 -0.60 -0.03 0.00 -0.13 0.00 0.00 55.73 55.16 3hx1 s ARG 69 Cb -0.12 -2.52 -0.02 0.00 -1.56 0.00 0.00 34.95 30.73 3hx1 s ARG 69 CO 0.08 0.65 -0.07 -1.50 -0.81 0.00 0.00 175.30 173.66 3hx1 s ILE 70 N -0.79 3.53 -0.08 4.11 2.07 0.14 -1.49 121.20 128.69 3hx1 s ILE 70 Ca 0.12 -0.48 0.02 0.00 -1.41 0.00 0.00 60.65 58.90 3hx1 s ILE 70 Cb -0.11 -2.54 -0.02 0.00 0.13 0.00 0.00 42.46 39.92 3hx1 s ILE 70 CO 0.01 0.49 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.77 3hx1 s ILE 71 N 0.61 3.17 0.46 2.00 1.09 0.03 -1.77 121.20 126.78 3hx1 s ILE 71 Ca -0.04 -0.66 -0.22 0.00 -1.10 0.00 0.00 60.65 58.63 3hx1 s ILE 71 Cb -0.15 -2.28 -0.08 0.00 -1.06 0.00 0.00 42.46 38.90 3hx1 s ILE 71 CO 0.03 0.57 1.10 -0.62 -0.10 0.00 0.00 174.94 175.92 3hx1 s ASP 72 N -0.39 6.27 0.00 3.58 2.15 -0.31 -1.28 116.67 126.70 3hx1 s ASP 72 Ca 0.04 2.14 0.00 0.00 0.43 0.00 0.00 52.55 55.16 3hx1 s ASP 72 Cb -0.12 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 3hx1 s ASP 72 CO 0.02 -0.84 0.00 0.61 -0.17 0.00 0.00 175.17 174.80 3hx1 n GLY 73 N 0.23 -3.38 4.03 2.66 0.00 -0.13 -4.79 105.19 103.81 3hx1 n GLY 73 Ca 0.08 -1.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.04 3hx1 n GLY 73 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hx1 s ASP 74 N -1.07 5.10 0.24 1.61 1.47 -0.87 -3.43 116.67 119.72 3hx1 s ASP 74 Ca 0.00 -0.82 0.13 0.00 1.18 0.00 0.00 52.55 53.04 3hx1 s ASP 74 Cb 0.00 0.27 0.73 0.00 -0.34 0.00 0.00 42.92 43.58 3hx1 s ASP 74 CO 0.00 -1.34 1.36 -0.62 0.68 0.00 0.00 175.17 175.25 3hx1 n GLU 75 N -2.25 0.09 -1.07 2.11 1.02 -1.26 -0.47 120.64 118.80 3hx1 n GLU 75 Ca 0.15 0.56 -0.12 0.00 -0.02 0.00 0.00 57.16 57.73 3hx1 n GLU 75 Cb 0.61 -1.90 0.25 0.00 -0.02 0.00 0.00 31.44 30.38 3hx1 n GLU 75 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hx1 n ASP 76 N -1.98 4.26 -2.79 1.62 10.43 -1.26 -4.92 116.55 121.90 3hx1 n ASP 76 Ca -0.01 -3.40 -0.15 0.00 2.57 0.00 0.00 54.79 53.79 3hx1 n ASP 76 Cb 0.13 -0.77 -0.00 0.00 1.84 0.00 0.00 41.12 42.32 3hx1 n ASP 76 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hx1 n GLY 77 N -0.60 -0.49 3.37 0.44 0.00 0.38 -4.94 105.19 103.34 3hx1 n GLY 77 Ca 0.47 0.03 -0.36 0.00 0.00 0.00 0.00 46.02 46.16 3hx1 n GLY 77 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hx1 s GLN 78 N -5.40 3.40 0.86 1.61 -1.52 -1.25 -4.87 119.66 112.49 3hx1 s GLN 78 Ca 0.15 -0.63 -0.12 0.00 -1.95 0.00 0.00 55.36 52.81 3hx1 s GLN 78 Cb -0.08 -3.22 0.11 0.00 -0.22 0.00 0.00 33.01 29.60 3hx1 s GLN 78 CO 0.19 -0.26 1.18 -1.12 -0.25 0.00 0.00 175.29 175.02 3hx1 s SER 79 N 1.53 3.29 0.51 5.90 0.01 -1.26 -2.06 113.70 121.63 3hx1 s SER 79 Ca 0.05 2.28 0.08 0.00 1.31 0.00 0.00 55.95 59.67 3hx1 s SER 79 Cb -0.15 -2.58 0.08 0.00 0.21 0.00 0.00 66.02 63.58 3hx1 s SER 79 CO 0.01 -2.86 0.65 -1.54 0.41 0.00 0.00 173.24 169.91 3hx1 n SER 80 N -3.74 2.01 -4.59 2.44 3.41 -1.26 -4.88 113.62 107.01 3hx1 n SER 80 Ca 0.13 -2.43 -0.34 0.00 -0.26 0.00 0.00 58.87 55.96 3hx1 n SER 80 Cb 0.51 -0.32 -0.10 0.00 -0.26 0.00 0.00 64.21 64.04 3hx1 n SER 80 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hx1 s VAL 81 N -2.26 4.47 0.00 -3.33 1.01 -1.26 -4.03 120.40 115.00 3hx1 s VAL 81 Ca 0.49 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.32 3hx1 s VAL 81 Cb -0.04 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.35 3hx1 s VAL 81 CO 0.31 0.48 0.00 0.59 0.00 0.00 0.00 175.10 176.48 3hx1 n ASN 82 N 3.46 0.00 0.00 3.32 3.02 -1.26 -4.68 115.26 119.12 3hx1 n ASN 82 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 3hx1 n ASN 82 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 3hx1 n ASN 82 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hx1 n GLY 83 N -2.00 0.98 3.53 7.41 0.00 -1.26 -4.56 105.19 109.29 3hx1 n GLY 83 Ca 0.00 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 3hx1 n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hx1 s LEU 84 N 0.00 1.99 0.00 0.99 1.43 -1.26 -4.79 118.68 117.04 3hx1 s LEU 84 Ca 0.00 -1.73 0.00 0.00 -1.03 0.00 0.00 54.13 51.37 3hx1 s LEU 84 Cb 0.00 -0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.16 3hx1 s LEU 84 CO 0.00 -0.99 0.00 0.00 0.23 0.00 0.00 176.35 175.59 3hx1 n ILE 86 N -0.96 0.00 -2.29 -0.59 0.13 0.24 -0.14 119.36 115.75 3hx1 n ILE 86 Ca -0.06 0.00 -0.18 0.00 -1.10 0.00 0.00 62.75 61.40 3hx1 n ILE 86 Cb 0.65 0.00 -0.02 0.00 -0.84 0.00 0.00 39.64 39.43 3hx1 n ILE 86 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 3hx1 n ASN 87 N 0.00 -5.27 0.00 9.51 5.03 -1.26 -1.32 115.26 121.95 3hx1 n ASN 87 Ca 0.00 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.55 3hx1 n ASN 87 Cb 0.00 -4.45 0.00 0.00 -1.02 0.00 0.00 39.78 34.31 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 -0.87 0.80 3.36 7.41 0.00 -1.26 -5.04 105.19 109.58 3hx1 n GLY 88 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.28 1.61 -0.12 1.61 -0.14 -0.43 -5.11 119.74 116.87 3hx1 s LYS 89 Ca 0.00 -1.20 -0.29 0.00 -1.36 0.00 0.00 55.97 53.12 3hx1 s LYS 89 Cb 0.00 -1.91 -0.01 0.00 -1.68 0.00 0.00 37.83 34.23 3hx1 s LYS 89 CO 0.00 0.48 0.99 0.21 -0.76 0.00 0.00 175.35 176.27 3hx1 s LYS 90 N -1.59 4.39 0.22 1.68 2.47 -1.26 -0.59 119.74 125.07 3hx1 s LYS 90 Ca 0.12 1.35 0.11 0.00 -1.56 0.00 0.00 55.97 55.99 3hx1 s LYS 90 Cb -0.10 -3.55 -0.05 0.00 -1.46 0.00 0.00 37.83 32.67 3hx1 s LYS 90 CO 0.04 -0.34 -0.19 0.14 0.16 0.00 0.00 175.35 175.16 3hx1 s VAL 91 N 2.13 2.62 -0.26 4.02 -7.23 0.80 -4.97 120.40 117.50 3hx1 s VAL 91 Ca 0.47 -2.07 -0.04 0.00 -1.81 0.00 0.00 61.98 58.52 3hx1 s VAL 91 Cb -0.18 -2.31 -0.16 0.00 0.56 0.00 0.00 36.38 34.30 3hx1 s VAL 91 CO 0.16 -0.22 -0.24 0.00 -0.31 0.00 0.00 175.10 174.49 3hx1 n GLN 92 N -0.12 0.63 -3.99 4.82 1.13 -1.26 -4.05 117.38 114.54 3hx1 n GLN 92 Ca -0.10 0.20 -0.09 0.00 -1.94 0.00 0.00 57.00 55.08 3hx1 n GLN 92 Cb 0.57 -1.52 -0.11 0.00 0.11 0.00 0.00 30.24 29.29 3hx1 n GLN 92 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3hx1 s GLU 93 N -2.51 0.38 -0.29 -1.09 2.02 -1.26 -1.16 118.70 114.79 3hx1 s GLU 93 Ca -0.36 -0.71 -0.14 0.00 0.02 0.00 0.00 54.97 53.78 3hx1 s GLU 93 Cb 0.11 0.14 0.10 0.00 0.10 0.00 0.00 34.13 34.58 3hx1 s GLU 93 CO 0.57 -0.07 0.70 -1.58 0.02 0.00 0.00 175.26 174.90 3hx1 s HIS 94 N -1.92 -1.11 -0.30 1.61 2.46 -0.73 -4.96 115.29 110.34 3hx1 s HIS 94 Ca -0.12 2.12 -0.29 0.00 0.47 0.00 0.00 55.06 57.24 3hx1 s HIS 94 Cb -0.06 0.67 0.01 0.00 -0.13 0.00 0.00 32.58 33.06 3hx1 s HIS 94 CO -0.03 -0.55 1.12 0.42 -2.47 0.00 0.00 174.74 173.24 3hx1 s ILE 95 N 2.01 4.44 0.15 0.89 1.01 -1.26 0.25 121.20 128.69 3hx1 s ILE 95 Ca -0.09 1.67 -0.30 0.00 0.00 0.00 0.00 60.65 61.93 3hx1 s ILE 95 Cb -0.07 -4.34 -0.07 0.00 0.01 0.00 0.00 42.46 37.98 3hx1 s ILE 95 CO -0.19 -0.44 1.22 -0.63 0.00 0.00 0.00 174.94 174.90 3hx1 s ILE 96 N 3.74 3.63 -0.06 2.92 1.01 0.21 -4.96 121.20 127.69 3hx1 s ILE 96 Ca 0.48 1.30 0.04 0.00 0.00 0.00 0.00 60.65 62.46 3hx1 s ILE 96 Cb -0.14 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.51 3hx1 s ILE 96 CO 0.16 0.17 -0.17 -1.58 0.00 0.00 0.00 174.94 173.52 3hx1 s GLN 97 N 0.21 2.01 -0.23 2.79 0.74 -1.26 -4.46 119.66 119.47 3hx1 s GLN 97 Ca 0.56 -0.60 -0.42 0.00 0.05 0.00 0.00 55.36 54.94 3hx1 s GLN 97 Cb -0.32 -1.66 -0.19 0.00 1.10 0.00 0.00 33.01 31.94 3hx1 s GLN 97 CO 0.34 0.16 1.40 -2.37 -0.55 0.00 0.00 175.29 174.27 3hx1 n THR 98 N 3.45 0.04 0.00 -0.34 5.66 -1.26 -0.98 114.28 120.85 3hx1 n THR 98 Ca -0.20 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 3hx1 n THR 98 Cb 0.52 -0.45 0.00 0.00 -1.55 0.00 0.00 70.33 68.86 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 2.95 1.39 3.68 1.09 0.00 0.10 -4.96 105.19 109.44 3hx1 n GLY 99 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 3hx1 n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hx1 n ASP 100 N 0.00 1.12 -3.95 1.61 9.92 -0.15 -4.78 116.55 120.31 3hx1 n ASP 100 Ca 0.00 0.67 -0.20 0.00 -0.53 0.00 0.00 54.79 54.73 3hx1 n ASP 100 Cb 0.00 -1.49 -0.16 0.00 -0.64 0.00 0.00 41.12 38.83 3hx1 n ASP 100 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3hx1 s GLU 101 N -3.67 0.94 -0.13 -1.24 2.12 -1.26 -2.53 118.70 112.92 3hx1 s GLU 101 Ca 0.76 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.89 3hx1 s GLU 101 Cb -0.33 -0.88 0.01 0.00 0.26 0.00 0.00 34.13 33.19 3hx1 s GLU 101 CO 0.48 0.02 -0.20 0.42 -0.54 0.00 0.00 175.26 175.44 3hx1 s ILE 102 N 0.51 1.92 0.53 -3.70 1.01 0.97 -4.57 121.20 117.87 3hx1 s ILE 102 Ca -0.08 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 59.75 3hx1 s ILE 102 Cb -0.11 -1.71 0.05 0.00 0.01 0.00 0.00 42.46 40.70 3hx1 s ILE 102 CO 0.01 0.52 0.62 -0.69 0.00 0.00 0.00 174.94 175.40 3hx1 s VAL 103 N 0.82 2.18 1.30 2.92 1.01 -1.26 -0.21 120.40 127.15 3hx1 s VAL 103 Ca -0.08 -1.17 -0.20 0.00 0.00 0.00 0.00 61.98 60.53 3hx1 s VAL 103 Cb -0.16 -2.35 0.32 0.00 0.00 0.00 0.00 36.38 34.20 3hx1 s VAL 103 CO -0.01 0.00 1.02 -0.83 0.00 0.00 0.00 175.10 175.28 3hx1 s GLY 105 N -4.47 1.50 -0.05 4.51 0.00 -1.21 -4.53 107.32 103.08 3hx1 s GLY 105 Ca 0.52 -0.83 -0.33 0.00 0.00 0.00 0.00 44.72 44.08 3hx1 s GLY 105 CO 0.32 0.10 1.90 -1.05 0.00 0.00 0.00 173.10 174.37 3hx1 n PRO 106 N -5.17 2.37 -0.92 2.90 -0.02 -1.26 -1.79 135.00 131.11 3hx1 n PRO 106 Ca 0.12 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3hx1 n PRO 106 Cb 0.59 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 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 6.80 -0.31 -4.68 -0.52 -0.06 -1.26 -4.99 117.38 112.36 3hx1 n GLN 107 Ca 0.22 0.08 -0.24 0.00 -2.00 0.00 0.00 57.00 55.05 3hx1 n GLN 107 Cb 0.32 -3.38 -0.16 0.00 -4.06 0.00 0.00 30.24 22.97 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 -2.38 1.21 0.20 1.69 0.11 -0.74 -4.51 120.40 115.97 3hx1 s VAL 108 Ca 0.00 -0.58 -0.23 0.00 -2.93 0.00 0.00 61.98 58.24 3hx1 s VAL 108 Cb 0.00 -1.06 0.05 0.00 -1.53 0.00 0.00 36.38 33.85 3hx1 s VAL 108 CO 0.00 0.36 0.71 -0.94 -3.33 0.00 0.00 175.10 171.90 3hx1 s SER 109 N 0.18 -0.39 0.01 3.54 1.04 -0.60 -3.36 113.70 114.12 3hx1 s SER 109 Ca -0.05 -0.30 0.05 0.00 0.48 0.00 0.00 55.95 56.14 3hx1 s SER 109 Cb -0.11 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 3hx1 s SER 109 CO 0.02 -1.10 -0.16 0.68 0.98 0.00 0.00 173.24 173.66 3hx1 s VAL 110 N -3.73 1.31 0.07 5.02 -7.23 0.71 -1.41 120.40 115.13 3hx1 s VAL 110 Ca 0.07 -0.88 0.09 0.00 -1.81 0.00 0.00 61.98 59.45 3hx1 s VAL 110 Cb -0.03 -1.12 -0.03 0.00 0.56 0.00 0.00 36.38 35.75 3hx1 s VAL 110 CO -0.03 0.23 -0.24 0.00 -0.31 0.00 0.00 175.10 174.75 3hx1 s ARG 111 N -0.75 1.54 0.07 4.82 1.70 -0.20 -0.02 118.95 126.10 3hx1 s ARG 111 Ca 0.05 -1.11 0.10 0.00 -0.47 0.00 0.00 55.73 54.29 3hx1 s ARG 111 Cb -0.07 -1.77 -0.03 0.00 -0.57 0.00 0.00 34.95 32.51 3hx1 s ARG 111 CO 0.00 0.44 -0.26 -0.47 -1.08 0.00 0.00 175.30 173.94 3hx1 s TYR 112 N -0.89 2.35 0.01 5.89 6.14 -1.05 0.14 117.35 129.93 3hx1 s TYR 112 Ca 0.10 -0.38 -0.08 0.00 0.64 0.00 0.00 57.07 57.34 3hx1 s TYR 112 Cb -0.10 -1.36 0.00 0.00 0.42 0.00 0.00 41.96 40.93 3hx1 s TYR 112 CO 0.03 0.20 0.16 -1.21 0.64 0.00 0.00 175.55 175.38 3hx1 s GLU 113 N -1.51 0.53 -0.54 4.97 2.02 -0.85 0.01 118.70 123.33 3hx1 s GLU 113 Ca 0.13 -0.41 -0.02 0.00 0.02 0.00 0.00 54.97 54.69 3hx1 s GLU 113 Cb -0.10 0.22 0.14 0.00 0.10 0.00 0.00 34.13 34.49 3hx1 s GLU 113 CO 0.04 -0.13 0.33 -0.47 0.02 0.00 0.00 175.26 175.05 3hx1 s TYR 114 N -1.52 3.46 0.00 1.61 5.04 -1.25 -2.11 117.35 122.56 3hx1 s TYR 114 Ca -0.14 -2.68 0.00 0.00 -2.44 0.00 0.00 57.07 51.81 3hx1 s TYR 114 Cb -0.07 -3.16 0.00 0.00 0.35 0.00 0.00 41.96 39.09 3hx1 s TYR 114 CO 0.01 -0.88 0.00 0.54 -1.34 0.00 0.00 175.55 173.89 3hx1 n ARG 115 N 3.82 0.15 0.00 4.97 1.74 0.20 -4.98 116.66 122.55 3hx1 n ARG 115 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3hx1 n ARG 115 Cb 0.38 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 3hx1 n ARG 115 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00