#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hxy s LEU 3 N 0.00 3.90 0.71 -2.67 1.43 -1.26 -5.04 118.68 115.75 1hxy s LEU 3 Ca 0.00 1.48 -0.14 0.00 -1.03 0.00 0.00 54.13 54.44 1hxy s LEU 3 Cb 0.00 -4.34 0.03 0.00 0.03 0.00 0.00 46.19 41.91 1hxy s LEU 3 CO 0.00 -0.36 1.14 -1.00 0.23 0.00 0.00 176.35 176.36 1hxy s HIS 4 N -2.23 2.37 0.04 0.29 3.76 -1.26 -5.01 115.29 113.24 1hxy s HIS 4 Ca 0.58 1.58 -0.01 0.00 -0.15 0.00 0.00 55.06 57.07 1hxy s HIS 4 Cb -0.10 -3.26 -0.04 0.00 1.11 0.00 0.00 32.58 30.29 1hxy s HIS 4 CO 0.20 -2.06 0.18 0.34 -0.85 0.00 0.00 174.74 172.55 1hxy s ASP 5 N -2.50 6.24 0.53 1.40 -1.08 -1.26 -4.61 116.67 115.39 1hxy s ASP 5 Ca 0.69 0.26 0.18 0.00 -0.52 0.00 0.00 52.55 53.16 1hxy s ASP 5 Cb -0.23 -1.91 1.34 0.00 -1.46 0.00 0.00 42.92 40.67 1hxy s ASP 5 CO 0.45 0.21 2.15 0.50 0.52 0.00 0.00 175.17 179.00 1hxy h LYS 6 N 3.40 0.00 0.00 4.34 3.64 -1.00 -1.22 116.57 125.73 1hxy h LYS 6 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1hxy h LYS 6 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1hxy h LYS 6 CO 0.72 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.77 1hxy n SER 7 N -4.44 0.00 0.01 4.20 3.41 -1.26 -2.25 113.62 113.29 1hxy n SER 7 Ca -0.02 -0.66 0.11 0.00 -0.26 0.00 0.00 58.87 58.04 1hxy n SER 7 Cb 0.14 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1hxy n SER 7 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1hxy n GLU 8 N -0.96 0.18 -2.53 4.33 1.02 -0.46 -4.92 120.64 117.31 1hxy n GLU 8 Ca 0.14 -0.01 -0.28 0.00 -0.02 0.00 0.00 57.16 56.99 1hxy n GLU 8 Cb 0.06 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1hxy n GLU 8 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1hxy s LEU 9 N -3.54 3.54 0.24 -4.62 1.43 -0.95 -5.08 118.68 109.70 1hxy s LEU 9 Ca 0.05 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 1hxy s LEU 9 Cb 0.15 -3.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 1hxy s LEU 9 CO 0.81 -0.66 0.43 0.42 0.23 0.00 0.00 176.35 177.58 1hxy s THR 10 N -2.82 5.19 0.46 5.49 -4.23 -1.26 -4.92 115.64 113.55 1hxy s THR 10 Ca 0.49 -0.48 0.23 0.00 -1.18 0.00 0.00 61.69 60.75 1hxy s THR 10 Cb -0.10 -3.78 0.42 0.00 1.34 0.00 0.00 72.50 70.38 1hxy s THR 10 CO 0.46 -0.29 1.84 0.44 -0.54 0.00 0.00 174.62 176.53 1hxy h ASP 11 N 1.57 0.27 -0.14 3.99 3.45 -1.98 0.77 116.42 124.35 1hxy h ASP 11 Ca -0.49 0.04 -0.03 0.00 0.43 0.00 0.00 57.03 56.98 1hxy h ASP 11 Cb 1.20 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.96 1hxy h ASP 11 CO 0.65 0.09 -0.03 0.25 -1.57 0.00 0.00 179.24 178.63 1hxy h LEU 12 N 0.26 0.26 -0.56 1.55 5.85 -1.93 0.11 115.31 120.85 1hxy h LEU 12 Ca 0.49 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1hxy h LEU 12 Cb 1.46 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 1hxy h LEU 12 CO -0.14 0.57 0.34 0.00 -0.34 0.00 0.00 178.44 178.87 1hxy h ALA 13 N 0.70 0.71 0.00 1.25 0.00 -1.14 0.33 119.26 121.11 1hxy h ALA 13 Ca 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1hxy h ALA 13 Cb 0.45 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1hxy h ALA 13 CO 0.01 0.19 -0.16 1.25 0.00 0.00 0.00 179.25 180.55 1hxy h LEU 14 N 0.75 0.00 0.17 0.00 5.85 -0.84 0.85 115.31 122.09 1hxy h LEU 14 Ca 0.20 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.68 1hxy h LEU 14 Cb -0.02 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.03 1hxy h LEU 14 CO -0.04 0.16 -1.05 0.00 -0.34 0.00 0.00 178.44 177.17 1hxy h ALA 15 N 1.84 -0.10 0.00 1.25 0.00 0.60 -2.69 119.26 120.16 1hxy h ALA 15 Ca -0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 1hxy h ALA 15 Cb 0.29 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1hxy h ALA 15 CO 0.02 0.50 -0.13 -0.91 0.00 0.00 0.00 179.25 178.74 1hxy h ASN 16 N -0.13 0.00 -0.08 0.00 2.35 -0.13 -1.31 115.58 116.28 1hxy h ASN 16 Ca -0.18 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.47 1hxy h ASN 16 Cb 1.82 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.19 1hxy h ASN 16 CO 0.20 0.13 -0.33 0.00 -1.65 0.00 0.00 177.43 175.77 1hxy h ALA 17 N 1.87 0.14 0.17 -0.83 0.00 -0.86 -2.86 119.26 116.89 1hxy h ALA 17 Ca -0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1hxy h ALA 17 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1hxy h ALA 17 CO 0.02 0.21 -0.08 -0.92 0.00 0.00 0.00 179.25 178.47 1hxy h TYR 18 N -0.12 -0.21 -0.26 0.00 3.20 -1.16 -2.87 116.97 115.56 1hxy h TYR 18 Ca -0.02 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.91 1hxy h TYR 18 Cb 0.98 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 39.25 1hxy h TYR 18 CO 0.13 -0.11 -0.18 0.78 -1.64 0.00 0.00 178.16 177.14 1hxy h GLY 19 N -0.25 -0.02 2.00 1.82 0.00 -1.30 -1.99 103.07 103.33 1hxy h GLY 19 Ca -0.02 0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.43 1hxy h GLY 19 CO 0.04 -0.18 -0.51 0.06 0.00 0.00 0.00 176.54 175.95 1hxy h GLN 20 N -0.17 0.00 0.00 4.80 3.07 -1.53 -1.22 115.11 120.07 1hxy h GLN 20 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.88 1hxy h GLN 20 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.94 1hxy h GLN 20 CO -0.36 0.51 -0.65 0.66 0.09 0.00 0.00 178.83 179.08 1hxy n TYR 21 N -3.83 0.53 0.77 0.06 0.53 -1.08 -2.85 117.16 111.29 1hxy n TYR 21 Ca -0.01 0.16 0.08 0.00 -1.02 0.00 0.00 57.90 57.11 1hxy n TYR 21 Cb 0.54 -0.64 -0.10 0.00 -1.03 0.00 0.00 39.34 38.11 1hxy n TYR 21 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1hxy n ASN 22 N -2.10 0.83 -3.07 7.72 3.02 -0.76 -4.12 115.26 116.78 1hxy n ASN 22 Ca 0.03 -0.85 -0.17 0.00 -0.03 0.00 0.00 54.58 53.56 1hxy n ASN 22 Cb 0.44 1.05 -0.01 0.00 -0.61 0.00 0.00 39.78 40.65 1hxy n ASN 22 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1hxy n HIS 23 N -1.46 -0.74 -1.44 3.10 8.25 -0.46 -5.07 115.22 117.39 1hxy n HIS 23 Ca 0.03 -3.31 -0.32 0.00 -0.26 0.00 0.00 57.72 53.86 1hxy n HIS 23 Cb 0.28 0.13 0.08 0.00 1.12 0.00 0.00 29.99 31.60 1hxy n HIS 23 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1hxy s PRO 24 N -1.48 2.35 -0.25 -0.41 0.04 -1.13 -4.68 135.00 129.43 1hxy s PRO 24 Ca 0.35 1.39 -0.21 0.00 0.04 0.00 0.00 61.00 62.58 1hxy s PRO 24 Cb 0.30 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.93 1hxy s PRO 24 CO -0.09 -1.60 0.65 0.12 0.04 0.00 0.00 177.00 176.11 1hxy s PHE 25 N -2.49 3.30 -0.22 0.56 5.36 0.17 -4.90 117.98 119.77 1hxy s PHE 25 Ca 0.66 0.86 -0.01 0.00 -0.96 0.00 0.00 56.93 57.48 1hxy s PHE 25 Cb -0.21 -2.85 0.06 0.00 -0.34 0.00 0.00 43.02 39.68 1hxy s PHE 25 CO 0.48 -0.31 -0.01 0.42 -1.46 0.00 0.00 175.22 174.34 1hxy s ILE 26 N 2.46 1.03 -0.03 3.12 1.01 -1.26 -1.50 121.20 126.04 1hxy s ILE 26 Ca 0.27 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 60.07 1hxy s ILE 26 Cb -0.15 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1hxy s ILE 26 CO 0.09 -0.16 -0.19 -0.54 0.00 0.00 0.00 174.94 174.14 1hxy s LYS 27 N 1.62 1.72 -0.28 2.79 -0.14 -0.75 -5.01 119.74 119.70 1hxy s LYS 27 Ca -0.03 -0.66 -0.07 0.00 -1.36 0.00 0.00 55.97 53.84 1hxy s LYS 27 Cb -0.18 -1.56 -0.01 0.00 -1.68 0.00 0.00 37.83 34.40 1hxy s LYS 27 CO -0.07 0.33 0.08 -2.00 -0.76 0.00 0.00 175.35 172.93 1hxy s GLU 28 N -0.20 3.34 -0.13 1.68 2.12 -1.26 -0.11 118.70 124.14 1hxy s GLU 28 Ca 0.01 -0.69 -0.09 0.00 0.36 0.00 0.00 54.97 54.56 1hxy s GLU 28 Cb -0.10 -3.37 0.03 0.00 0.26 0.00 0.00 34.13 30.96 1hxy s GLU 28 CO 0.01 -0.34 0.18 -1.71 -0.54 0.00 0.00 175.26 172.86 1hxy n ASN 29 N 4.90 -1.60 -3.64 -1.70 4.05 -0.61 -4.99 115.26 111.68 1hxy n ASN 29 Ca -0.15 1.13 -0.12 0.00 0.45 0.00 0.00 54.58 55.89 1hxy n ASN 29 Cb 0.49 -4.40 -0.05 0.00 1.23 0.00 0.00 39.78 37.06 1hxy n ASN 29 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1hxy s ILE 30 N -0.52 0.06 0.18 -1.44 -4.36 -0.53 -4.86 121.20 109.72 1hxy s ILE 30 Ca -0.20 -0.49 0.11 0.00 -0.26 0.00 0.00 60.65 59.80 1hxy s ILE 30 Cb 0.01 -1.07 -0.04 0.00 1.25 0.00 0.00 42.46 42.61 1hxy s ILE 30 CO 0.55 -0.27 -0.23 -0.75 0.24 0.00 0.00 174.94 174.48 1hxy s LYS 31 N -3.21 1.43 -0.10 0.37 2.20 -1.26 -1.38 119.74 117.79 1hxy s LYS 31 Ca -0.01 -1.47 -0.04 0.00 -0.36 0.00 0.00 55.97 54.09 1hxy s LYS 31 Cb 0.01 -1.69 0.05 0.00 -1.51 0.00 0.00 37.83 34.68 1hxy s LYS 31 CO -0.08 0.36 0.20 0.45 -0.36 0.00 0.00 175.35 175.93 1hxy s SER 32 N -2.60 0.37 -0.49 1.43 0.15 -1.26 -4.85 113.70 106.45 1hxy s SER 32 Ca 0.18 0.44 0.04 0.00 0.70 0.00 0.00 55.95 57.31 1hxy s SER 32 Cb -0.08 0.42 0.42 0.00 -1.71 0.00 0.00 66.02 65.07 1hxy s SER 32 CO 0.09 -0.22 1.29 -0.67 1.20 0.00 0.00 173.24 174.92 1hxy n ASP 33 N 5.04 5.26 -3.33 5.45 2.03 -1.26 -0.92 116.55 128.81 1hxy n ASP 33 Ca -0.11 -3.74 -0.11 0.00 0.52 0.00 0.00 54.79 51.34 1hxy n ASP 33 Cb 0.50 -0.55 -0.07 0.00 -0.72 0.00 0.00 41.12 40.28 1hxy n ASP 33 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1hxy s GLU 34 N -3.64 0.40 0.69 -0.67 2.12 -1.26 -5.01 118.70 111.33 1hxy s GLU 34 Ca 0.50 0.02 -0.11 0.00 0.36 0.00 0.00 54.97 55.73 1hxy s GLU 34 Cb 0.41 -0.41 0.00 0.00 0.26 0.00 0.00 34.13 34.39 1hxy s GLU 34 CO -0.19 -1.04 1.07 0.42 -0.54 0.00 0.00 175.26 174.98 1hxy s ILE 35 N 2.45 3.91 -0.28 -3.70 -1.09 -1.26 0.48 121.20 121.71 1hxy s ILE 35 Ca 0.10 0.62 0.01 0.00 -2.23 0.00 0.00 60.65 59.15 1hxy s ILE 35 Cb -0.13 -3.55 0.15 0.00 -1.58 0.00 0.00 42.46 37.35 1hxy s ILE 35 CO -0.30 -0.81 0.40 -0.55 -1.23 0.00 0.00 174.94 172.45 1hxy s SER 36 N -4.18 0.46 0.00 3.58 0.15 -0.57 -4.81 113.70 108.33 1hxy s SER 36 Ca 0.57 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1hxy s SER 36 Cb -0.12 1.06 0.00 0.00 -1.71 0.00 0.00 66.02 65.26 1hxy s SER 36 CO 0.53 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1hxy n GLY 37 N 5.35 0.55 4.70 9.45 0.00 -1.26 -3.18 105.19 120.81 1hxy n GLY 37 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1hxy n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1hxy n GLU 38 N -2.58 0.00 0.00 1.61 0.00 -1.26 -4.61 120.64 113.80 1hxy n GLU 38 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.23 1hxy n GLU 38 Cb 0.04 -3.00 0.01 0.00 0.00 0.00 0.00 31.44 28.49 1hxy n GLU 38 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1hxy n LYS 39 N -1.41 1.62 -4.41 3.44 5.02 -1.25 -3.97 118.16 117.21 1hxy n LYS 39 Ca 0.00 -0.87 -0.21 0.00 -2.02 0.00 0.00 58.31 55.21 1hxy n LYS 39 Cb 0.00 -1.20 -0.10 0.00 -0.02 0.00 0.00 35.03 33.71 1hxy n LYS 39 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hxy s ASP 40 N -1.50 2.86 -0.11 4.39 1.01 -1.19 -1.25 116.67 120.88 1hxy s ASP 40 Ca 0.12 -1.09 0.03 0.00 0.71 0.00 0.00 52.55 52.33 1hxy s ASP 40 Cb 0.11 -0.18 0.00 0.00 1.01 0.00 0.00 42.92 43.86 1hxy s ASP 40 CO 0.29 -0.20 -0.23 -0.76 0.21 0.00 0.00 175.17 174.48 1hxy s LEU 41 N -3.41 2.08 -0.27 1.23 1.43 -0.71 -1.51 118.68 117.53 1hxy s LEU 41 Ca 0.27 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.68 1hxy s LEU 41 Cb 0.00 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1hxy s LEU 41 CO 0.10 0.13 0.21 -0.63 0.23 0.00 0.00 176.35 176.40 1hxy s ILE 42 N 0.50 5.30 -0.49 -0.59 -1.09 0.18 -1.89 121.20 123.12 1hxy s ILE 42 Ca -0.15 0.24 -0.02 0.00 -2.23 0.00 0.00 60.65 58.49 1hxy s ILE 42 Cb -0.17 -3.55 0.13 0.00 -1.58 0.00 0.00 42.46 37.28 1hxy s ILE 42 CO 0.05 0.26 0.28 -0.36 -1.23 0.00 0.00 174.94 173.94 1hxy s PHE 43 N 1.65 3.51 0.16 3.97 0.40 0.09 -4.38 117.98 123.38 1hxy s PHE 43 Ca 0.09 -2.60 -0.31 0.00 -0.60 0.00 0.00 56.93 53.51 1hxy s PHE 43 Cb -0.15 -3.18 -0.09 0.00 0.51 0.00 0.00 43.02 40.11 1hxy s PHE 43 CO 0.10 -0.91 1.41 1.03 0.70 0.00 0.00 175.22 177.54 1hxy s ARG 44 N 0.62 4.31 0.00 0.44 0.52 -1.26 -0.10 118.95 123.49 1hxy s ARG 44 Ca 0.12 2.15 0.00 0.00 -0.52 0.00 0.00 55.73 57.48 1hxy s ARG 44 Cb -0.22 -3.20 0.00 0.00 0.52 0.00 0.00 34.95 32.05 1hxy s ARG 44 CO -0.04 -0.43 0.00 0.09 0.02 0.00 0.00 175.30 174.94 1hxy n ASN 45 N 3.50 -5.86 -1.24 0.23 3.02 -1.20 -4.81 115.26 108.90 1hxy n ASN 45 Ca 0.10 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.76 1hxy n ASN 45 Cb 0.41 -3.44 0.30 0.00 -0.61 0.00 0.00 39.78 36.44 1hxy n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hxy n GLN 46 N 0.96 2.56 -2.81 3.52 6.02 -0.96 -4.38 117.38 122.30 1hxy n GLN 46 Ca 0.00 -2.42 -0.22 0.00 -0.01 0.00 0.00 57.00 54.35 1hxy n GLN 46 Cb 0.49 -1.52 0.09 0.00 1.02 0.00 0.00 30.24 30.32 1hxy n GLN 46 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1hxy s GLY 47 N -1.02 1.73 0.39 1.08 0.00 0.30 -4.85 107.32 104.95 1hxy s GLY 47 Ca 0.45 -2.00 -0.25 0.00 0.00 0.00 0.00 44.72 42.92 1hxy s GLY 47 CO 0.31 -1.45 1.01 1.22 0.00 0.00 0.00 173.10 174.19 1hxy n ASP 48 N -2.58 1.27 -3.99 1.64 8.00 -1.26 -2.90 116.55 116.72 1hxy n ASP 48 Ca 0.16 1.07 -0.30 0.00 0.71 0.00 0.00 54.79 56.43 1hxy n ASP 48 Cb 0.61 -1.34 -0.02 0.00 -0.02 0.00 0.00 41.12 40.36 1hxy n ASP 48 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1hxy n SER 49 N 0.71 -1.50 0.00 -2.24 7.64 -1.26 -1.40 113.62 115.57 1hxy n SER 49 Ca 0.09 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.87 1hxy n SER 49 Cb 0.37 -2.64 0.00 0.00 -1.01 0.00 0.00 64.21 60.93 1hxy n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hxy n GLY 50 N -2.06 0.13 3.77 0.23 0.00 -1.14 -4.97 105.19 101.15 1hxy n GLY 50 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1hxy n GLY 50 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hxy s ASN 51 N -2.09 5.01 0.18 1.61 0.01 -0.50 -4.16 114.94 115.00 1hxy s ASN 51 Ca 0.00 1.93 -0.26 0.00 -0.71 0.00 0.00 52.86 53.82 1hxy s ASN 51 Cb 0.00 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 39.04 1hxy s ASN 51 CO 0.00 -1.69 0.81 -1.81 -1.51 0.00 0.00 177.10 172.90 1hxy s ASP 52 N -2.84 7.44 -0.19 -1.22 1.01 -0.74 0.11 116.67 120.24 1hxy s ASP 52 Ca 0.65 1.70 -0.07 0.00 0.71 0.00 0.00 52.55 55.55 1hxy s ASP 52 Cb -0.19 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 1hxy s ASP 52 CO 0.45 0.19 0.05 -0.22 0.21 0.00 0.00 175.17 175.85 1hxy s LEU 53 N -1.11 3.67 -0.40 1.23 2.96 0.86 -0.34 118.68 125.55 1hxy s LEU 53 Ca 0.37 0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 54.25 1hxy s LEU 53 Cb -0.24 -1.93 0.10 0.00 0.50 0.00 0.00 46.19 44.63 1hxy s LEU 53 CO 0.27 0.14 0.19 -0.60 -1.32 0.00 0.00 176.35 175.03 1hxy s ARG 54 N 0.54 2.11 -0.45 1.98 3.52 0.88 -0.73 118.95 126.80 1hxy s ARG 54 Ca 0.02 -1.72 -0.24 0.00 -0.13 0.00 0.00 55.73 53.65 1hxy s ARG 54 Cb -0.13 -3.56 0.03 0.00 -1.56 0.00 0.00 34.95 29.73 1hxy s ARG 54 CO 0.01 -1.01 0.86 0.08 -0.81 0.00 0.00 175.30 174.43 1hxy s VAL 55 N 1.18 4.56 0.02 7.11 1.01 -0.79 -2.42 120.40 131.07 1hxy s VAL 55 Ca 0.06 0.63 -0.19 0.00 0.00 0.00 0.00 61.98 62.48 1hxy s VAL 55 Cb -0.22 -4.37 -0.06 0.00 0.00 0.00 0.00 36.38 31.72 1hxy s VAL 55 CO -0.03 -0.76 0.54 -0.54 0.00 0.00 0.00 175.10 174.31 1hxy s LYS 56 N 3.52 4.20 0.42 2.72 1.02 0.10 -1.73 119.74 129.99 1hxy s LYS 56 Ca 0.34 0.64 0.06 0.00 0.02 0.00 0.00 55.97 57.03 1hxy s LYS 56 Cb -0.11 -3.29 -0.07 0.00 -0.52 0.00 0.00 37.83 33.84 1hxy s LYS 56 CO 0.24 0.52 0.01 -0.06 -0.92 0.00 0.00 175.35 175.14 1hxy s PHE 57 N -0.65 2.39 -0.07 3.18 0.40 -0.38 -1.17 117.98 121.67 1hxy s PHE 57 Ca 0.28 -0.73 -0.24 0.00 -0.60 0.00 0.00 56.93 55.64 1hxy s PHE 57 Cb -0.18 -1.73 -0.28 0.00 0.51 0.00 0.00 43.02 41.34 1hxy s PHE 57 CO 0.16 0.39 0.89 0.00 0.70 0.00 0.00 175.22 177.37 1hxy h ALA 58 N 1.72 -0.03 -2.98 5.36 0.00 -1.34 -3.45 119.26 118.53 1hxy h ALA 58 Ca -0.44 -0.59 -0.57 0.00 0.00 0.00 0.00 54.91 53.31 1hxy h ALA 58 Cb 1.25 0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.91 1hxy h ALA 58 CO 0.79 0.21 -0.79 0.95 0.00 0.00 0.00 179.25 180.41 1hxy s THR 59 N -2.53 2.03 0.54 0.00 -4.23 -1.26 -5.02 115.64 105.17 1hxy s THR 59 Ca -0.16 -1.98 0.24 0.00 -1.18 0.00 0.00 61.69 58.61 1hxy s THR 59 Cb -0.00 -1.96 0.31 0.00 1.34 0.00 0.00 72.50 72.19 1hxy s THR 59 CO 0.77 -0.25 2.19 0.00 -0.54 0.00 0.00 174.62 176.79 1hxy h ALA 60 N 3.19 1.68 -0.29 3.99 0.00 -1.90 -2.42 119.26 123.51 1hxy h ALA 60 Ca -0.43 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.51 1hxy h ALA 60 Cb 1.21 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1hxy h ALA 60 CO 0.50 0.03 -0.03 -0.44 0.00 0.00 0.00 179.25 179.31 1hxy h ASP 61 N 0.00 -0.18 0.59 0.00 5.19 -1.96 -1.40 116.42 118.66 1hxy h ASP 61 Ca -0.00 0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 1hxy h ASP 61 Cb 0.05 0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.70 1hxy h ASP 61 CO 0.00 -0.05 -0.31 -0.07 -3.12 0.00 0.00 179.24 175.69 1hxy h LEU 62 N 0.05 -0.76 -1.15 1.55 3.38 -1.81 0.15 115.31 116.72 1hxy h LEU 62 Ca 0.14 0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.32 1hxy h LEU 62 Cb 0.20 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.07 1hxy h LEU 62 CO -0.26 -0.51 0.61 0.00 0.09 0.00 0.00 178.44 178.36 1hxy h ALA 63 N -0.44 1.77 0.19 1.53 0.00 -1.58 -0.17 119.26 120.56 1hxy h ALA 63 Ca -0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1hxy h ALA 63 Cb 0.66 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1hxy h ALA 63 CO 0.11 -0.07 -0.09 0.37 0.00 0.00 0.00 179.25 179.56 1hxy h GLN 64 N 0.74 -0.25 -0.96 0.00 4.15 -0.76 -2.16 115.11 115.87 1hxy h GLN 64 Ca 0.52 0.02 0.28 0.00 0.77 0.00 0.00 58.65 60.24 1hxy h GLN 64 Cb 0.83 0.06 -0.14 0.00 0.21 0.00 0.00 27.48 28.43 1hxy h GLN 64 CO -0.29 -0.09 0.45 0.87 -1.93 0.00 0.00 178.83 177.84 1hxy h LYS 65 N -0.35 0.30 -0.01 1.69 1.57 0.12 -1.34 116.57 118.55 1hxy h LYS 65 Ca -0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1hxy h LYS 65 Cb 0.27 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1hxy h LYS 65 CO 0.04 0.20 -0.51 1.19 -0.57 0.00 0.00 179.45 179.80 1hxy n PHE 66 N -5.10 0.00 -1.72 -1.35 3.01 -1.06 -4.93 117.46 106.32 1hxy n PHE 66 Ca 0.27 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.31 1hxy n PHE 66 Cb 0.84 -0.03 -0.01 0.00 -0.01 0.00 0.00 39.48 40.27 1hxy n PHE 66 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1hxy n LYS 67 N -0.42 2.42 -1.66 -1.08 5.02 -0.51 -1.96 118.16 119.97 1hxy n LYS 67 Ca 0.09 0.86 -0.15 0.00 -2.02 0.00 0.00 58.31 57.08 1hxy n LYS 67 Cb 0.42 -2.55 -0.05 0.00 -0.02 0.00 0.00 35.03 32.83 1hxy n LYS 67 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1hxy n ASN 68 N 1.48 -4.78 -4.29 4.39 4.13 -0.10 -5.00 115.26 111.09 1hxy n ASN 68 Ca 0.07 0.28 -0.23 0.00 1.68 0.00 0.00 54.58 56.37 1hxy n ASN 68 Cb 0.36 -3.70 -0.12 0.00 -1.54 0.00 0.00 39.78 34.78 1hxy n ASN 68 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1hxy s LYS 69 N -3.67 1.15 -0.37 3.52 1.02 -0.83 -4.94 119.74 115.62 1hxy s LYS 69 Ca 0.00 -1.21 -0.29 0.00 0.02 0.00 0.00 55.97 54.49 1hxy s LYS 69 Cb 0.00 -1.34 0.02 0.00 -0.52 0.00 0.00 37.83 35.98 1hxy s LYS 69 CO 0.00 0.30 1.19 -0.80 -0.92 0.00 0.00 175.35 175.12 1hxy s ASN 70 N -2.09 6.72 0.27 2.83 0.01 -1.26 -4.26 114.94 117.16 1hxy s ASN 70 Ca 0.08 0.91 0.10 0.00 -0.71 0.00 0.00 52.86 53.24 1hxy s ASN 70 Cb -0.09 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 38.97 1hxy s ASN 70 CO 0.05 -1.09 -0.15 0.68 -1.51 0.00 0.00 177.10 175.07 1hxy s VAL 71 N 4.25 2.16 -0.01 1.60 -7.23 -0.48 -1.11 120.40 119.59 1hxy s VAL 71 Ca 0.51 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 1hxy s VAL 71 Cb -0.12 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1hxy s VAL 71 CO 0.24 -0.41 0.05 -1.81 -0.31 0.00 0.00 175.10 172.86 1hxy s ASP 72 N -3.47 5.49 -0.06 4.85 1.01 0.17 -1.46 116.67 123.20 1hxy s ASP 72 Ca 0.28 0.10 0.06 0.00 0.71 0.00 0.00 52.55 53.70 1hxy s ASP 72 Cb -0.02 -1.53 -0.01 0.00 1.01 0.00 0.00 42.92 42.37 1hxy s ASP 72 CO 0.13 0.28 -0.25 -0.63 0.21 0.00 0.00 175.17 174.91 1hxy s ILE 73 N -1.15 2.05 -0.22 0.77 -1.09 0.84 -2.39 121.20 120.01 1hxy s ILE 73 Ca 0.21 -1.06 -0.06 0.00 -2.23 0.00 0.00 60.65 57.51 1hxy s ILE 73 Cb -0.12 -1.74 0.11 0.00 -1.58 0.00 0.00 42.46 39.13 1hxy s ILE 73 CO 0.12 0.57 0.43 -0.47 -1.23 0.00 0.00 174.94 174.36 1hxy s TYR 74 N -0.14 -0.87 0.00 3.97 5.04 -0.71 -1.80 117.35 122.85 1hxy s TYR 74 Ca -0.04 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 55.97 1hxy s TYR 74 Cb -0.14 0.26 0.00 0.00 0.35 0.00 0.00 41.96 42.43 1hxy s TYR 74 CO 0.04 -0.57 0.00 0.41 -1.34 0.00 0.00 175.55 174.09 1hxy n GLY 75 N 5.39 0.71 3.73 8.97 0.00 -0.56 -4.34 105.19 119.08 1hxy n GLY 75 Ca -0.07 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1hxy n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hxy s ALA 76 N -2.00 3.59 0.26 4.61 0.00 -1.26 0.46 121.76 127.41 1hxy s ALA 76 Ca 0.00 1.15 0.11 0.00 0.00 0.00 0.00 51.96 53.22 1hxy s ALA 76 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1hxy s ALA 76 CO 0.00 -0.61 -0.16 -1.54 0.00 0.00 0.00 175.76 173.45 1hxy s SER 77 N 0.80 3.80 0.21 0.00 1.04 -1.26 -4.32 113.70 113.96 1hxy s SER 77 Ca 0.62 -0.91 -0.23 0.00 0.48 0.00 0.00 55.95 55.91 1hxy s SER 77 Cb -0.38 -0.42 0.06 0.00 0.10 0.00 0.00 66.02 65.38 1hxy s SER 77 CO 0.34 0.04 0.91 0.72 0.98 0.00 0.00 173.24 176.24 1hxy s PHE 78 N -2.34 -0.08 0.06 5.02 -0.12 -0.80 -4.86 117.98 114.86 1hxy s PHE 78 Ca 0.29 -0.31 0.00 0.00 -0.05 0.00 0.00 56.93 56.86 1hxy s PHE 78 Cb -0.06 0.68 0.00 0.00 -0.63 0.00 0.00 43.02 43.02 1hxy s PHE 78 CO 0.15 -1.00 0.00 0.66 -0.05 0.00 0.00 175.22 174.99 1hxy n TYR 79 N -0.51 -0.10 -1.49 3.49 4.02 -1.26 -0.95 117.16 120.35 1hxy n TYR 79 Ca -0.05 0.02 -0.57 0.00 -0.01 0.00 0.00 57.90 57.29 1hxy n TYR 79 Cb 0.60 0.04 -0.07 0.00 -0.02 0.00 0.00 39.34 39.89 1hxy n TYR 79 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1hxy n TYR 80 N -3.24 0.55 -1.17 -0.72 9.36 -1.26 0.00 117.16 120.68 1hxy n TYR 80 Ca 0.00 1.01 -0.06 0.00 3.32 0.00 0.00 57.90 62.17 1hxy n TYR 80 Cb 0.23 -2.09 -0.03 0.00 -0.63 0.00 0.00 39.34 36.82 1hxy n TYR 80 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1hxy n LYS 81 N 1.50 -1.12 -2.97 2.98 4.76 -1.26 -4.62 118.16 117.42 1hxy n LYS 81 Ca 0.19 0.60 -0.42 0.00 -2.87 0.00 0.00 58.31 55.82 1hxy n LYS 81 Cb 0.12 -4.61 -0.05 0.00 -1.84 0.00 0.00 35.03 28.65 1hxy n LYS 81 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hxy n GLU 83 N 6.47 1.50 -2.64 0.00 4.71 -1.26 -4.86 120.64 124.55 1hxy n GLU 83 Ca 0.03 0.54 -0.35 0.00 -0.01 0.00 0.00 57.16 57.37 1hxy n GLU 83 Cb 0.48 -2.24 -0.05 0.00 -1.01 0.00 0.00 31.44 28.62 1hxy n GLU 83 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 1hxy s LYS 84 N 1.32 4.16 -0.14 3.49 0.00 -1.26 -4.84 119.74 122.47 1hxy s LYS 84 Ca 0.86 1.36 0.10 0.00 0.00 0.00 0.00 55.97 58.29 1hxy s LYS 84 Cb -0.88 -2.39 -0.16 0.00 0.00 0.00 0.00 37.83 34.40 1hxy s LYS 84 CO 0.47 -0.12 0.01 0.44 0.00 0.00 0.00 175.35 176.16 1hxy n ILE 85 N -0.32 0.97 -2.14 3.79 -5.35 -1.26 -5.07 119.36 109.98 1hxy n ILE 85 Ca 0.06 -0.55 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 1hxy n ILE 85 Cb 0.51 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 37.69 1hxy n ILE 85 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1hxy n SER 86 N -2.61 0.00 -0.29 7.28 3.41 -1.26 -5.04 113.62 115.12 1hxy n SER 86 Ca -0.24 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.43 1hxy n SER 86 Cb 0.93 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 65.10 1hxy n SER 86 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1hxy h GLU 87 N 0.00 0.60 -7.39 4.33 4.39 -2.06 -3.43 114.58 111.03 1hxy h GLU 87 Ca 0.00 -0.04 -0.50 0.00 0.34 0.00 0.00 59.36 59.17 1hxy h GLU 87 Cb 0.00 -0.14 0.10 0.00 -0.10 0.00 0.00 28.75 28.61 1hxy h GLU 87 CO 0.00 0.40 0.36 1.21 -1.16 0.00 0.00 179.01 179.82 1hxy s ASN 88 N -5.43 5.02 0.23 1.42 3.84 -1.26 -5.02 114.94 113.74 1hxy s ASN 88 Ca -0.12 1.41 -0.30 0.00 0.21 0.00 0.00 52.86 54.06 1hxy s ASN 88 Cb 0.21 -2.22 -0.09 0.00 -0.55 0.00 0.00 41.25 38.60 1hxy s ASN 88 CO 0.78 -1.64 1.07 0.27 -2.79 0.00 0.00 177.10 174.78 1hxy s ILE 89 N -3.14 3.74 -0.22 -5.21 -4.36 -1.26 -4.68 121.20 106.07 1hxy s ILE 89 Ca 0.59 1.65 -0.07 0.00 -0.26 0.00 0.00 60.65 62.55 1hxy s ILE 89 Cb -0.14 -4.05 -0.03 0.00 1.25 0.00 0.00 42.46 39.49 1hxy s ILE 89 CO 0.54 0.35 0.07 -0.55 0.24 0.00 0.00 174.94 175.59 1hxy s SER 90 N -0.61 5.31 -0.21 4.36 0.15 -1.26 -1.80 113.70 119.64 1hxy s SER 90 Ca 0.46 -0.10 -0.10 0.00 0.70 0.00 0.00 55.95 56.91 1hxy s SER 90 Cb -0.30 -1.94 -0.05 0.00 -1.71 0.00 0.00 66.02 62.03 1hxy s SER 90 CO 0.37 0.04 0.13 -0.70 1.20 0.00 0.00 173.24 174.28 1hxy s GLU 91 N 1.16 4.11 0.19 5.44 2.12 0.54 -4.78 118.70 127.48 1hxy s GLU 91 Ca 0.04 -0.26 0.04 0.00 0.36 0.00 0.00 54.97 55.16 1hxy s GLU 91 Cb -0.14 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 1hxy s GLU 91 CO 0.03 0.20 0.26 0.00 -0.54 0.00 0.00 175.26 175.21 1hxy s LEU 93 N -3.46 -0.65 -0.19 0.00 0.20 -1.02 -1.90 118.68 111.66 1hxy s LEU 93 Ca 0.33 1.24 -0.08 0.00 0.69 0.00 0.00 54.13 56.30 1hxy s LEU 93 Cb -0.10 2.24 -0.04 0.00 -0.43 0.00 0.00 46.19 47.86 1hxy s LEU 93 CO 0.27 -0.21 0.09 -0.31 -0.29 0.00 0.00 176.35 175.90 1hxy s TYR 94 N 0.40 3.30 0.00 5.38 1.51 -1.26 0.03 117.35 126.71 1hxy s TYR 94 Ca 0.01 0.16 0.00 0.00 -1.01 0.00 0.00 57.07 56.22 1hxy s TYR 94 Cb -0.05 -2.12 0.00 0.00 -0.11 0.00 0.00 41.96 39.68 1hxy s TYR 94 CO -0.03 0.18 0.00 0.41 -1.11 0.00 0.00 175.55 175.00 1hxy n GLY 95 N 3.61 3.72 3.90 0.71 0.00 -0.31 -4.56 105.19 112.26 1hxy n GLY 95 Ca -0.16 0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1hxy n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hxy n GLY 96 N 0.00 -0.48 3.09 -0.02 0.00 -1.26 -4.85 105.19 101.67 1hxy n GLY 96 Ca 0.00 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1hxy n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hxy s THR 97 N -3.21 1.52 0.11 2.61 2.01 -1.26 -1.73 115.64 115.69 1hxy s THR 97 Ca 0.64 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.97 1hxy s THR 97 Cb -0.34 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1hxy s THR 97 CO 0.79 0.44 -0.05 0.42 -0.69 0.00 0.00 174.62 175.53 1hxy s THR 98 N 0.70 0.61 -0.25 -0.82 -4.23 -1.01 -4.94 115.64 105.70 1hxy s THR 98 Ca -0.13 -1.93 -0.29 0.00 -1.18 0.00 0.00 61.69 58.17 1hxy s THR 98 Cb -0.16 -1.75 0.01 0.00 1.34 0.00 0.00 72.50 71.94 1hxy s THR 98 CO 0.03 -0.81 1.13 -0.76 -0.54 0.00 0.00 174.62 173.67 1hxy s LEU 99 N -3.05 4.04 0.50 4.79 1.43 -1.26 0.42 118.68 125.55 1hxy s LEU 99 Ca 0.14 1.34 0.33 0.00 -1.03 0.00 0.00 54.13 54.90 1hxy s LEU 99 Cb 0.06 -3.54 1.45 0.00 0.03 0.00 0.00 46.19 44.19 1hxy s LEU 99 CO -0.04 -0.80 1.76 -1.13 0.23 0.00 0.00 176.35 176.37 1hxy h ASN 100 N 8.02 0.13 1.70 2.29 -0.00 -1.38 -1.07 115.58 125.27 1hxy h ASN 100 Ca -0.22 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.11 1hxy h ASN 100 Cb 1.07 0.02 0.00 0.00 -0.00 0.00 0.00 38.32 39.41 1hxy h ASN 100 CO 1.00 0.00 0.00 0.77 -0.00 0.00 0.00 177.43 179.20 1hxy h SER 101 N 0.10 0.00 -1.50 1.15 4.64 -1.92 -3.40 113.55 112.63 1hxy h SER 101 Ca 0.63 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 61.21 1hxy h SER 101 Cb 2.24 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 64.19 1hxy h SER 101 CO -0.12 0.00 1.88 -0.62 -0.87 0.00 0.00 176.83 177.10 1hxy n GLU 102 N -2.87 3.38 -4.32 4.77 1.02 -0.41 -4.96 120.64 117.25 1hxy n GLU 102 Ca 0.04 -3.54 -0.34 0.00 -0.02 0.00 0.00 57.16 53.30 1hxy n GLU 102 Cb 0.46 -3.09 -0.09 0.00 -0.02 0.00 0.00 31.44 28.70 1hxy n GLU 102 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1hxy s LYS 103 N 1.71 2.92 0.84 3.49 -0.14 -1.26 -0.63 119.74 126.67 1hxy s LYS 103 Ca 0.44 -0.48 -0.11 0.00 -1.36 0.00 0.00 55.97 54.45 1hxy s LYS 103 Cb 0.04 -2.76 0.10 0.00 -1.68 0.00 0.00 37.83 33.53 1hxy s LYS 103 CO 0.01 0.67 1.14 -0.51 -0.76 0.00 0.00 175.35 175.89 1hxy s LEU 104 N -1.20 2.98 0.08 3.17 1.43 0.14 -4.62 118.68 120.65 1hxy s LEU 104 Ca 0.16 2.10 -0.33 0.00 -1.03 0.00 0.00 54.13 55.04 1hxy s LEU 104 Cb -0.11 -4.56 -0.17 0.00 0.03 0.00 0.00 46.19 41.38 1hxy s LEU 104 CO 0.06 -2.63 1.61 0.00 0.23 0.00 0.00 176.35 175.62 1hxy h ALA 105 N -1.38 -0.91 -3.16 4.21 0.00 -1.98 -3.44 119.26 112.60 1hxy h ALA 105 Ca -0.44 -0.18 -0.36 0.00 0.00 0.00 0.00 54.91 53.94 1hxy h ALA 105 Cb 1.26 0.45 -0.20 0.00 0.00 0.00 0.00 17.79 19.30 1hxy h ALA 105 CO 0.46 -1.03 -0.76 1.14 0.00 0.00 0.00 179.25 179.06 1hxy s GLN 106 N -6.02 0.76 0.20 0.00 -2.07 -1.26 -5.12 119.66 106.15 1hxy s GLN 106 Ca -0.18 -0.97 -0.32 0.00 -1.82 0.00 0.00 55.36 52.08 1hxy s GLN 106 Cb 0.04 -0.63 -0.15 0.00 -1.09 0.00 0.00 33.01 31.19 1hxy s GLN 106 CO 0.62 0.12 1.19 -1.91 -1.32 0.00 0.00 175.29 174.00 1hxy n GLU 107 N 1.11 1.38 -3.68 9.60 2.13 -1.26 -4.95 120.64 124.97 1hxy n GLU 107 Ca -0.20 0.49 -0.36 0.00 0.66 0.00 0.00 57.16 57.75 1hxy n GLU 107 Cb 0.55 -2.00 -0.08 0.00 0.27 0.00 0.00 31.44 30.17 1hxy n GLU 107 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1hxy s ARG 108 N -0.55 4.16 -0.22 5.31 6.06 0.32 -4.96 118.95 129.07 1hxy s ARG 108 Ca 0.70 -0.20 -0.06 0.00 -2.50 0.00 0.00 55.73 53.67 1hxy s ARG 108 Cb -0.79 -3.46 -0.03 0.00 0.06 0.00 0.00 34.95 30.73 1hxy s ARG 108 CO 0.53 0.21 0.03 0.08 -2.50 0.00 0.00 175.30 173.65 1hxy s VAL 109 N 0.62 4.15 -0.17 7.11 1.01 -1.26 -1.48 120.40 130.39 1hxy s VAL 109 Ca 0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 1hxy s VAL 109 Cb -0.12 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1hxy s VAL 109 CO 0.01 0.39 -0.03 -0.63 0.00 0.00 0.00 175.10 174.84 1hxy s ILE 110 N 1.24 3.91 0.26 2.22 1.01 0.66 -4.97 121.20 125.54 1hxy s ILE 110 Ca 0.04 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 1hxy s ILE 110 Cb -0.15 -2.73 -0.06 0.00 0.01 0.00 0.00 42.46 39.54 1hxy s ILE 110 CO 0.02 0.48 0.54 -0.83 0.00 0.00 0.00 174.94 175.15 1hxy s GLY 111 N 0.50 1.98 -0.10 6.18 0.00 -1.26 -1.61 107.32 113.02 1hxy s GLY 111 Ca -0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 44.72 44.18 1hxy s GLY 111 CO 0.03 -0.38 0.01 0.00 0.00 0.00 0.00 173.10 172.76 1hxy s ALA 112 N -1.99 0.74 0.34 3.20 0.00 0.28 -1.62 121.76 122.70 1hxy s ALA 112 Ca 0.45 -0.23 -0.26 0.00 0.00 0.00 0.00 51.96 51.92 1hxy s ALA 112 Cb -0.11 -0.83 -0.10 0.00 0.00 0.00 0.00 23.12 22.08 1hxy s ALA 112 CO 0.28 -0.61 0.97 -0.80 0.00 0.00 0.00 175.76 175.59 1hxy s ASN 113 N 1.96 7.24 -0.04 0.00 0.01 0.52 -1.44 114.94 123.19 1hxy s ASN 113 Ca 0.04 1.88 0.00 0.00 -0.71 0.00 0.00 52.86 54.07 1hxy s ASN 113 Cb -0.13 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 38.97 1hxy s ASN 113 CO -0.06 -0.14 -0.01 -0.69 -1.51 0.00 0.00 177.10 174.70 1hxy s VAL 114 N -1.62 0.27 0.05 1.60 1.01 -1.26 -0.02 120.40 120.42 1hxy s VAL 114 Ca 0.51 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.61 1hxy s VAL 114 Cb -0.19 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 1hxy s VAL 114 CO 0.25 0.18 -0.18 0.26 0.00 0.00 0.00 175.10 175.61 1hxy s TRP 115 N 1.14 1.55 -0.24 5.22 0.51 -0.50 0.47 118.94 127.09 1hxy s TRP 115 Ca -0.08 -0.37 -0.00 0.00 -2.12 0.00 0.00 56.10 53.53 1hxy s TRP 115 Cb -0.14 -0.91 0.07 0.00 -0.81 0.00 0.00 33.47 31.68 1hxy s TRP 115 CO -0.02 0.07 0.00 0.08 -0.51 0.00 0.00 176.95 176.58 1hxy s VAL 116 N -0.85 1.21 -1.41 4.03 1.01 -0.49 -1.58 120.40 122.32 1hxy s VAL 116 Ca 0.05 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 60.79 1hxy s VAL 116 Cb -0.08 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.70 1hxy s VAL 116 CO 0.02 -0.25 1.06 0.47 0.00 0.00 0.00 175.10 176.40 1hxy n ASP 117 N 4.77 -5.07 0.00 3.32 8.00 -0.48 -1.89 116.55 125.20 1hxy n ASP 117 Ca -0.09 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1hxy n ASP 117 Cb 0.44 -4.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.00 1hxy n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hxy n GLY 118 N -1.79 2.98 3.67 0.44 0.00 -1.26 -5.01 105.19 104.22 1hxy n GLY 118 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1hxy n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hxy s ILE 119 N -1.72 4.25 0.11 -0.61 -1.09 -0.79 -4.98 121.20 116.36 1hxy s ILE 119 Ca 0.00 1.54 -0.31 0.00 -2.23 0.00 0.00 60.65 59.66 1hxy s ILE 119 Cb 0.00 -3.99 -0.07 0.00 -1.58 0.00 0.00 42.46 36.81 1hxy s ILE 119 CO 0.00 -0.08 1.32 -1.58 -1.23 0.00 0.00 174.94 173.37 1hxy s GLN 120 N 2.98 4.36 0.45 2.79 0.74 -1.26 -1.40 119.66 128.33 1hxy s GLN 120 Ca 0.55 1.97 0.04 0.00 0.05 0.00 0.00 55.36 57.98 1hxy s GLN 120 Cb -0.23 -3.27 0.04 0.00 1.10 0.00 0.00 33.01 30.64 1hxy s GLN 120 CO 0.18 -0.36 0.34 1.63 -0.55 0.00 0.00 175.29 176.53 1hxy n LYS 121 N 3.81 0.82 -1.68 1.67 4.76 0.18 -4.96 118.16 122.76 1hxy n LYS 121 Ca 0.10 -2.84 -0.37 0.00 -2.87 0.00 0.00 58.31 52.33 1hxy n LYS 121 Cb 0.44 0.31 0.06 0.00 -1.84 0.00 0.00 35.03 33.99 1hxy n LYS 121 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1hxy n GLU 122 N -1.56 1.07 -2.99 1.97 2.13 -1.26 -4.51 120.64 115.48 1hxy n GLU 122 Ca -0.02 0.41 -0.36 0.00 0.66 0.00 0.00 57.16 57.86 1hxy n GLU 122 Cb 0.52 -2.37 -0.06 0.00 0.27 0.00 0.00 31.44 29.79 1hxy n GLU 122 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1hxy s THR 123 N -1.43 4.46 0.22 6.31 2.01 -1.26 -4.31 115.64 121.64 1hxy s THR 123 Ca 0.79 1.42 0.08 0.00 0.31 0.00 0.00 61.69 64.29 1hxy s THR 123 Cb -0.40 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 1hxy s THR 123 CO 0.44 0.12 0.02 -1.61 -0.69 0.00 0.00 174.62 172.90 1hxy s GLU 124 N -2.17 2.43 0.03 4.92 0.41 -0.52 -4.94 118.70 118.86 1hxy s GLU 124 Ca 0.47 -1.22 0.06 0.00 -0.41 0.00 0.00 54.97 53.87 1hxy s GLU 124 Cb -0.16 -2.31 -0.02 0.00 -1.78 0.00 0.00 34.13 29.86 1hxy s GLU 124 CO 0.21 0.41 -0.17 -0.51 -0.49 0.00 0.00 175.26 174.71 1hxy s LEU 125 N -3.34 2.14 0.06 1.80 1.43 -1.26 -0.56 118.68 118.95 1hxy s LEU 125 Ca 0.30 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1hxy s LEU 125 Cb -0.08 -0.81 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 1hxy s LEU 125 CO 0.20 0.12 -0.06 0.27 0.23 0.00 0.00 176.35 177.11 1hxy s ILE 126 N -0.74 0.50 0.17 -0.59 -4.36 -0.63 -4.99 121.20 110.57 1hxy s ILE 126 Ca 0.05 -1.40 0.04 0.00 -0.26 0.00 0.00 60.65 59.07 1hxy s ILE 126 Cb -0.08 -1.00 -0.05 0.00 1.25 0.00 0.00 42.46 42.59 1hxy s ILE 126 CO 0.01 -0.61 -0.05 -0.13 0.24 0.00 0.00 174.94 174.39 1hxy s ARG 127 N -2.51 1.14 -0.12 0.37 0.52 -1.26 -0.24 118.95 116.84 1hxy s ARG 127 Ca -0.02 -1.53 -0.29 0.00 -0.52 0.00 0.00 55.73 53.38 1hxy s ARG 127 Cb -0.03 -0.54 0.07 0.00 0.52 0.00 0.00 34.95 34.97 1hxy s ARG 127 CO -0.02 -0.02 0.68 -0.08 0.02 0.00 0.00 175.30 175.89 1hxy s THR 128 N -3.42 0.00 -0.10 0.02 -1.32 -0.55 -4.99 115.64 105.27 1hxy s THR 128 Ca 0.21 -0.01 0.01 0.00 -1.21 0.00 0.00 61.69 60.69 1hxy s THR 128 Cb 0.04 -0.99 0.03 0.00 -1.51 0.00 0.00 72.50 70.07 1hxy s THR 128 CO 0.03 -0.00 0.96 -0.46 -2.21 0.00 0.00 174.62 172.94 1hxy n ASN 129 N 1.53 1.97 -4.77 8.08 0.23 -1.26 -0.52 115.26 120.52 1hxy n ASN 129 Ca -0.17 -1.88 -0.39 0.00 -0.53 0.00 0.00 54.58 51.61 1hxy n ASN 129 Cb 0.56 -0.02 -0.06 0.00 -2.08 0.00 0.00 39.78 38.18 1hxy n ASN 129 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1hxy s LYS 130 N -0.88 4.62 0.35 -3.83 1.02 -1.26 0.25 119.74 120.00 1hxy s LYS 130 Ca 0.02 1.24 0.16 0.00 0.02 0.00 0.00 55.97 57.41 1hxy s LYS 130 Cb 0.01 -3.20 0.61 0.00 -0.52 0.00 0.00 37.83 34.73 1hxy s LYS 130 CO 0.02 0.52 1.71 1.57 -0.92 0.00 0.00 175.35 178.25 1hxy h LYS 131 N 4.12 0.00 -3.84 1.68 5.09 -1.13 -3.41 116.57 119.08 1hxy h LYS 131 Ca -0.47 0.00 -0.48 0.00 0.09 0.00 0.00 60.65 59.80 1hxy h LYS 131 Cb 1.20 0.00 -0.38 0.00 0.10 0.00 0.00 32.23 33.15 1hxy h LYS 131 CO 0.66 0.43 -0.78 -0.80 -2.09 0.00 0.00 179.45 176.88 1hxy s ASN 132 N -6.57 2.02 0.04 7.07 0.01 -1.26 -1.75 114.94 114.50 1hxy s ASN 132 Ca -0.01 -0.29 0.08 0.00 -0.71 0.00 0.00 52.86 51.93 1hxy s ASN 132 Cb 0.12 -0.59 -0.03 0.00 0.41 0.00 0.00 41.25 41.15 1hxy s ASN 132 CO 0.71 -0.19 -0.22 0.54 -1.51 0.00 0.00 177.10 176.42 1hxy s VAL 133 N 1.87 2.48 0.39 1.60 0.11 -0.52 -4.89 120.40 121.45 1hxy s VAL 133 Ca 0.04 -1.27 -0.24 0.00 -2.93 0.00 0.00 61.98 57.57 1hxy s VAL 133 Cb -0.13 -2.01 -0.09 0.00 -1.53 0.00 0.00 36.38 32.62 1hxy s VAL 133 CO -0.07 0.36 1.08 0.42 -3.33 0.00 0.00 175.10 173.56 1hxy s THR 134 N -0.86 3.59 0.58 5.04 -4.23 -1.26 -0.48 115.64 118.02 1hxy s THR 134 Ca 0.13 1.26 0.27 0.00 -1.18 0.00 0.00 61.69 62.17 1hxy s THR 134 Cb -0.10 -3.67 0.34 0.00 1.34 0.00 0.00 72.50 70.41 1hxy s THR 134 CO 0.04 0.05 2.21 0.25 -0.54 0.00 0.00 174.62 176.62 1hxy h LEU 135 N 2.59 0.00 -0.04 4.79 5.85 -1.71 -1.47 115.31 125.31 1hxy h LEU 135 Ca -0.48 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1hxy h LEU 135 Cb 1.22 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1hxy h LEU 135 CO 0.63 0.00 0.01 -0.61 -0.34 0.00 0.00 178.44 178.12 1hxy h GLN 136 N 0.00 0.07 -0.75 1.25 4.15 -1.91 0.25 115.11 118.19 1hxy h GLN 136 Ca 0.02 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.49 1hxy h GLN 136 Cb 0.11 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.72 1hxy h GLN 136 CO -0.00 0.30 0.42 1.49 -1.93 0.00 0.00 178.83 179.12 1hxy h GLU 137 N -0.17 0.73 -0.20 1.69 4.81 -1.50 0.71 114.58 120.65 1hxy h GLU 137 Ca 0.01 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1hxy h GLU 137 Cb 0.27 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1hxy h GLU 137 CO 0.00 0.48 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.57 1hxy h LEU 138 N 0.75 0.44 -0.21 1.64 3.38 -1.29 -2.35 115.31 117.68 1hxy h LEU 138 Ca 0.34 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1hxy h LEU 138 Cb 0.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1hxy h LEU 138 CO -0.21 0.78 0.13 -0.78 0.09 0.00 0.00 178.44 178.45 1hxy h ASP 139 N 0.11 0.21 -0.52 -0.43 3.58 0.03 -2.03 116.42 117.38 1hxy h ASP 139 Ca 0.04 -0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.54 1hxy h ASP 139 Cb 0.62 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.58 1hxy h ASP 139 CO 0.03 0.16 0.26 0.40 -2.88 0.00 0.00 179.24 177.21 1hxy h ILE 140 N 0.27 0.95 -0.17 2.25 2.04 -0.87 -0.15 117.51 121.82 1hxy h ILE 140 Ca 0.08 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 1hxy h ILE 140 Cb -0.01 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1hxy h ILE 140 CO -0.03 0.09 -0.12 0.11 0.00 0.00 0.00 178.15 178.20 1hxy h LYS 141 N 0.50 0.26 0.07 2.37 1.57 -1.16 -0.38 116.57 119.80 1hxy h LYS 141 Ca 0.23 -0.06 -0.27 0.00 -1.87 0.00 0.00 60.65 58.68 1hxy h LYS 141 Cb 0.15 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.44 1hxy h LYS 141 CO -0.17 0.40 -1.13 0.82 -0.57 0.00 0.00 179.45 178.80 1hxy h ILE 142 N 0.25 1.32 -0.03 1.86 1.08 -0.79 -3.22 117.51 117.99 1hxy h ILE 142 Ca 0.05 -2.45 -0.08 0.00 -0.39 0.00 0.00 64.86 61.99 1hxy h ILE 142 Cb 0.38 2.57 -0.01 0.00 -3.07 0.00 0.00 36.82 36.69 1hxy h ILE 142 CO 0.02 0.74 -0.37 0.03 -0.69 0.00 0.00 178.15 177.89 1hxy h ARG 143 N 0.28 0.05 -0.09 2.37 3.08 -0.64 -1.95 114.38 117.49 1hxy h ARG 143 Ca -0.15 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1hxy h ARG 143 Cb 1.80 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.84 1hxy h ARG 143 CO 0.21 0.42 0.05 -0.22 -1.07 0.00 0.00 179.97 179.36 1hxy h LYS 144 N 0.05 0.12 0.02 0.04 1.63 -1.12 0.43 116.57 117.75 1hxy h LYS 144 Ca 0.00 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1hxy h LYS 144 Cb 0.68 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1hxy h LYS 144 CO 0.05 0.13 -0.01 0.82 -3.45 0.00 0.00 179.45 176.99 1hxy h ILE 145 N 0.08 1.01 -0.78 2.00 2.04 -1.51 -0.69 117.51 119.66 1hxy h ILE 145 Ca 0.03 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.85 1hxy h ILE 145 Cb 0.04 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1hxy h ILE 145 CO -0.01 0.02 0.51 -0.07 0.00 0.00 0.00 178.15 178.61 1hxy h LEU 146 N -0.07 0.78 0.19 1.44 3.38 -1.15 0.60 115.31 120.48 1hxy h LEU 146 Ca -0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1hxy h LEU 146 Cb 0.06 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1hxy h LEU 146 CO 0.01 0.52 -0.09 -1.28 0.09 0.00 0.00 178.44 177.69 1hxy h SER 147 N 0.90 -0.21 -0.41 -0.43 0.87 0.39 0.50 113.55 115.15 1hxy h SER 147 Ca 0.32 -0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.66 1hxy h SER 147 Cb 0.14 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1hxy h SER 147 CO -0.10 0.00 -0.09 0.44 -0.53 0.00 0.00 176.83 176.55 1hxy h ASP 148 N -0.43 0.79 0.21 6.23 3.32 -0.55 -1.15 116.42 124.85 1hxy h ASP 148 Ca -0.03 -0.36 -0.30 0.00 0.02 0.00 0.00 57.03 56.36 1hxy h ASP 148 Cb 0.33 -0.22 0.03 0.00 0.22 0.00 0.00 39.33 39.70 1hxy h ASP 148 CO 0.04 0.97 -1.30 0.50 -1.72 0.00 0.00 179.24 177.73 1hxy h LYS 149 N 0.60 0.51 -0.02 3.56 1.63 0.17 -3.40 116.57 119.62 1hxy h LYS 149 Ca 0.10 -0.83 0.00 0.00 -0.85 0.00 0.00 60.65 59.07 1hxy h LYS 149 Cb 0.62 0.30 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 1hxy h LYS 149 CO 0.04 1.39 0.00 0.66 -3.45 0.00 0.00 179.45 178.09 1hxy n TYR 150 N -3.82 0.03 -3.70 1.91 4.02 0.17 -5.02 117.16 110.75 1hxy n TYR 150 Ca -0.16 -0.09 -0.26 0.00 -0.01 0.00 0.00 57.90 57.38 1hxy n TYR 150 Cb 1.03 -0.01 0.06 0.00 -0.02 0.00 0.00 39.34 40.40 1hxy n TYR 150 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1hxy n LYS 151 N 0.12 -7.09 0.13 -0.72 5.02 -0.43 -4.70 118.16 110.48 1hxy n LYS 151 Ca 0.02 0.75 0.08 0.00 -2.02 0.00 0.00 58.31 57.14 1hxy n LYS 151 Cb 0.13 -5.75 0.56 0.00 -0.02 0.00 0.00 35.03 29.94 1hxy n LYS 151 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1hxy h ILE 152 N -2.48 1.01 -0.41 -0.18 3.07 -1.72 -2.86 117.51 113.95 1hxy h ILE 152 Ca -0.57 -0.08 -0.02 0.00 1.55 0.00 0.00 64.86 65.74 1hxy h ILE 152 Cb 1.37 0.76 -0.01 0.00 -0.27 0.00 0.00 36.82 38.68 1hxy h ILE 152 CO 0.60 0.04 0.01 -1.22 -1.05 0.00 0.00 178.15 176.53 1hxy n TYR 153 N -4.50 1.47 -3.43 0.16 0.53 -1.26 -4.91 117.16 105.22 1hxy n TYR 153 Ca 0.01 -0.86 -0.37 0.00 -1.02 0.00 0.00 57.90 55.66 1hxy n TYR 153 Cb 0.13 -0.42 -0.06 0.00 -1.03 0.00 0.00 39.34 37.96 1hxy n TYR 153 CO 0.00 0.00 0.00 0.71 -1.02 0.00 0.00 176.86 176.55 1hxy s TYR 154 N -2.83 3.55 0.23 -0.72 1.51 -1.08 -4.76 117.35 113.24 1hxy s TYR 154 Ca 0.48 0.83 -0.07 0.00 -1.01 0.00 0.00 57.07 57.30 1hxy s TYR 154 Cb 0.38 -2.43 0.38 0.00 -0.11 0.00 0.00 41.96 40.18 1hxy s TYR 154 CO 0.12 0.30 1.71 -0.22 -1.11 0.00 0.00 175.55 176.36 1hxy h LYS 155 N 6.22 0.33 -1.20 -0.62 3.64 -1.91 -2.84 116.57 120.19 1hxy h LYS 155 Ca -0.44 -0.02 -0.69 0.00 -1.27 0.00 0.00 60.65 58.23 1hxy h LYS 155 Cb 1.18 -0.07 -0.30 0.00 -0.41 0.00 0.00 32.23 32.63 1hxy h LYS 155 CO 0.72 0.22 0.81 -0.25 -2.27 0.00 0.00 179.45 178.68 1hxy n ASP 156 N -5.07 7.49 -4.94 4.20 8.00 -1.26 -4.97 116.55 120.00 1hxy n ASP 156 Ca 0.12 -3.80 -0.24 0.00 0.71 0.00 0.00 54.79 51.57 1hxy n ASP 156 Cb 0.37 -0.96 -0.02 0.00 -0.02 0.00 0.00 41.12 40.49 1hxy n ASP 156 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1hxy s SER 157 N -1.79 6.34 0.46 -2.24 1.04 -1.07 -5.00 113.70 111.43 1hxy s SER 157 Ca 0.61 0.32 0.30 0.00 0.48 0.00 0.00 55.95 57.67 1hxy s SER 157 Cb 0.49 -1.97 1.20 0.00 0.10 0.00 0.00 66.02 65.84 1hxy s SER 157 CO -0.09 -0.13 1.89 1.05 0.98 0.00 0.00 173.24 176.94 1hxy h GLU 158 N 1.38 0.00 -6.59 4.02 4.11 -1.89 -3.44 114.58 112.18 1hxy h GLU 158 Ca -0.50 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.42 1hxy h GLU 158 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1hxy h GLU 158 CO 0.64 0.00 0.41 0.42 0.07 0.00 0.00 179.01 180.55 1hxy s ILE 159 N -3.54 4.27 0.00 -1.06 -1.09 -1.26 -4.25 121.20 114.28 1hxy s ILE 159 Ca 0.02 1.88 0.00 0.00 -2.23 0.00 0.00 60.65 60.32 1hxy s ILE 159 Cb 0.09 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 1hxy s ILE 159 CO 0.51 0.28 0.04 -1.54 -1.23 0.00 0.00 174.94 173.00 1hxy n SER 160 N 2.77 0.07 -3.77 3.58 3.41 0.31 -4.87 113.62 115.12 1hxy n SER 160 Ca 0.03 -0.35 -0.13 0.00 -0.26 0.00 0.00 58.87 58.16 1hxy n SER 160 Cb 0.48 0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 64.73 1hxy n SER 160 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1hxy s LYS 161 N -0.41 0.34 -0.01 4.33 1.02 -1.05 -0.32 119.74 123.64 1hxy s LYS 161 Ca 0.00 0.42 -0.19 0.00 0.02 0.00 0.00 55.97 56.22 1hxy s LYS 161 Cb 0.00 0.15 0.04 0.00 -0.52 0.00 0.00 37.83 37.50 1hxy s LYS 161 CO 0.00 -0.05 0.41 0.20 -0.92 0.00 0.00 175.35 174.99 1hxy s GLY 162 N 0.21 -0.27 -0.04 -3.33 0.00 -1.26 0.26 107.32 102.89 1hxy s GLY 162 Ca -0.00 0.52 -0.02 0.00 0.00 0.00 0.00 44.72 45.22 1hxy s GLY 162 CO -0.00 0.27 0.08 -2.27 0.00 0.00 0.00 173.10 171.18 1hxy s LEU 163 N -1.46 0.67 -0.17 0.66 2.96 0.77 -1.83 118.68 120.28 1hxy s LEU 163 Ca -0.11 0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1hxy s LEU 163 Cb -0.03 0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.72 1hxy s LEU 163 CO 0.04 -0.17 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.21 1hxy s ILE 164 N 1.44 3.55 -0.13 6.68 1.01 0.08 -1.03 121.20 132.80 1hxy s ILE 164 Ca -0.05 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1hxy s ILE 164 Cb -0.12 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 1hxy s ILE 164 CO -0.04 0.48 -0.17 -1.61 0.00 0.00 0.00 174.94 173.59 1hxy s GLU 165 N 0.70 3.22 -0.45 2.79 2.02 0.48 -1.26 118.70 126.20 1hxy s GLU 165 Ca -0.03 -0.77 -0.11 0.00 0.02 0.00 0.00 54.97 54.09 1hxy s GLU 165 Cb -0.15 -2.53 0.09 0.00 0.10 0.00 0.00 34.13 31.64 1hxy s GLU 165 CO 0.02 0.13 0.32 -0.06 0.02 0.00 0.00 175.26 175.69 1hxy s PHE 166 N 0.52 3.34 -0.09 1.61 0.40 0.18 -0.95 117.98 122.98 1hxy s PHE 166 Ca -0.11 -1.49 -0.18 0.00 -0.60 0.00 0.00 56.93 54.54 1hxy s PHE 166 Cb -0.16 -3.16 -0.04 0.00 0.51 0.00 0.00 43.02 40.16 1hxy s PHE 166 CO 0.04 -0.88 0.50 -0.51 0.70 0.00 0.00 175.22 175.07 1hxy s ASP 167 N 2.41 6.74 0.23 1.36 -0.00 0.93 -0.91 116.67 127.44 1hxy s ASP 167 Ca 0.04 0.89 -0.04 0.00 -0.00 0.00 0.00 52.55 53.43 1hxy s ASP 167 Cb -0.24 -2.30 -0.05 0.00 -0.00 0.00 0.00 42.92 40.33 1hxy s ASP 167 CO 0.02 0.03 0.47 -0.04 -0.00 0.00 0.00 175.17 175.66 1hxy s MET 168 N 0.40 3.61 0.45 8.23 -1.94 -0.42 -0.96 119.30 128.67 1hxy s MET 168 Ca 0.27 -0.09 0.12 0.00 -1.71 0.00 0.00 55.69 54.28 1hxy s MET 168 Cb -0.16 -2.74 1.03 0.00 2.01 0.00 0.00 34.83 34.98 1hxy s MET 168 CO 0.12 0.32 2.07 0.87 -0.01 0.00 0.00 175.02 178.39 1hxy h LYS 169 N 2.05 0.34 -7.41 2.03 1.57 -0.46 -3.39 116.57 111.31 1hxy h LYS 169 Ca -0.47 -0.02 -0.50 0.00 -1.87 0.00 0.00 60.65 57.78 1hxy h LYS 169 Cb 1.18 -0.08 0.07 0.00 0.08 0.00 0.00 32.23 33.49 1hxy h LYS 169 CO 0.68 0.22 0.42 0.95 -0.57 0.00 0.00 179.45 181.15 1hxy s THR 170 N -5.33 4.19 -0.38 -0.16 -4.23 -1.26 -4.85 115.64 103.61 1hxy s THR 170 Ca -0.07 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 1hxy s THR 170 Cb 0.18 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1hxy s THR 170 CO 0.72 -0.93 0.00 -0.81 -0.54 0.00 0.00 174.62 173.06 1hxy n PRO 171 N -2.87 0.00 -3.07 3.99 -0.04 -1.26 -4.77 135.00 126.99 1hxy n PRO 171 Ca 0.06 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.23 1hxy n PRO 171 Cb 0.55 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.68 1hxy n PRO 171 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1hxy s ARG 172 N 0.23 3.69 -0.26 0.54 6.06 -1.26 -4.98 118.95 122.96 1hxy s ARG 172 Ca 0.00 0.21 -0.12 0.00 -2.50 0.00 0.00 55.73 53.32 1hxy s ARG 172 Cb 0.00 -2.51 0.09 0.00 0.06 0.00 0.00 34.95 32.59 1hxy s ARG 172 CO 0.00 0.07 0.60 0.34 -2.50 0.00 0.00 175.30 173.81 1hxy s ASP 173 N -3.26 -0.87 0.09 -2.12 2.15 -1.26 -1.30 116.67 110.10 1hxy s ASP 173 Ca 0.47 1.39 0.06 0.00 0.43 0.00 0.00 52.55 54.90 1hxy s ASP 173 Cb -0.10 1.59 -0.04 0.00 -0.30 0.00 0.00 42.92 44.06 1hxy s ASP 173 CO 0.32 -0.23 -0.07 -0.31 -0.17 0.00 0.00 175.17 174.72 1hxy s TYR 174 N 2.12 2.83 0.09 -5.34 1.51 -0.09 -4.95 117.35 113.52 1hxy s TYR 174 Ca -0.08 -0.11 -0.13 0.00 -1.01 0.00 0.00 57.07 55.74 1hxy s TYR 174 Cb -0.09 -1.48 0.02 0.00 -0.11 0.00 0.00 41.96 40.31 1hxy s TYR 174 CO -0.18 0.44 0.31 -1.54 -1.11 0.00 0.00 175.55 173.48 1hxy s SER 175 N -2.19 -0.10 0.00 2.29 1.04 -1.26 0.48 113.70 113.96 1hxy s SER 175 Ca 0.23 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1hxy s SER 175 Cb -0.11 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.40 1hxy s SER 175 CO 0.15 -0.74 -0.02 -0.36 0.98 0.00 0.00 173.24 173.26 1hxy s PHE 176 N -3.37 0.14 -0.35 5.02 0.40 -0.39 -4.99 117.98 114.44 1hxy s PHE 176 Ca 0.01 -0.09 -0.18 0.00 -0.60 0.00 0.00 56.93 56.07 1hxy s PHE 176 Cb 0.02 -0.09 -0.00 0.00 0.51 0.00 0.00 43.02 43.45 1hxy s PHE 176 CO -0.09 -0.02 0.51 0.34 0.70 0.00 0.00 175.22 176.66 1hxy s ASP 177 N -0.23 6.31 0.01 1.36 -1.08 -1.26 -0.74 116.67 121.05 1hxy s ASP 177 Ca -0.02 -0.03 0.05 0.00 -0.52 0.00 0.00 52.55 52.04 1hxy s ASP 177 Cb -0.02 -2.27 0.22 0.00 -1.46 0.00 0.00 42.92 39.40 1hxy s ASP 177 CO -0.00 -0.47 1.16 2.30 0.52 0.00 0.00 175.17 178.68 1hxy n ILE 178 N 5.41 1.67 0.06 4.11 -5.35 -0.76 -1.33 119.36 123.17 1hxy n ILE 178 Ca -0.05 0.43 0.03 0.00 -0.27 0.00 0.00 62.75 62.89 1hxy n ILE 178 Cb 0.49 -1.36 0.05 0.00 -1.74 0.00 0.00 39.64 37.08 1hxy n ILE 178 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1hxy n TYR 179 N -1.53 0.12 -1.80 4.28 4.02 -1.26 -4.68 117.16 116.31 1hxy n TYR 179 Ca 0.01 -0.27 -0.34 0.00 -0.01 0.00 0.00 57.90 57.30 1hxy n TYR 179 Cb 0.05 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.33 1hxy n TYR 179 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1hxy n ASP 180 N 0.14 7.12 -4.76 7.72 2.03 -0.44 -4.76 116.55 123.59 1hxy n ASP 180 Ca 0.04 -3.35 -0.32 0.00 0.52 0.00 0.00 54.79 51.68 1hxy n ASP 180 Cb 0.24 -1.23 0.07 0.00 -0.72 0.00 0.00 41.12 39.48 1hxy n ASP 180 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1hxy s LEU 181 N -2.71 3.23 -0.21 -2.67 1.43 -1.26 -4.91 118.68 111.59 1hxy s LEU 181 Ca 0.55 1.96 0.15 0.00 -1.03 0.00 0.00 54.13 55.76 1hxy s LEU 181 Cb 0.33 -4.54 0.75 0.00 0.03 0.00 0.00 46.19 42.75 1hxy s LEU 181 CO -0.22 -1.87 1.67 0.29 0.23 0.00 0.00 176.35 176.45 1hxy n LYS 182 N -2.91 4.35 -3.52 1.70 4.01 -1.26 -5.01 118.16 115.52 1hxy n LYS 182 Ca 0.10 -3.06 0.00 0.00 -0.51 0.00 0.00 58.31 54.84 1hxy n LYS 182 Cb 0.52 -2.13 0.00 0.00 -0.51 0.00 0.00 35.03 32.91 1hxy n LYS 182 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1hxy n GLY 183 N 0.43 -1.05 0.08 0.72 0.00 -1.26 -4.66 105.19 99.46 1hxy n GLY 183 Ca 0.26 -0.97 0.03 0.00 0.00 0.00 0.00 46.02 45.34 1hxy n GLY 183 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1hxy n GLU 184 N 0.00 3.35 -4.46 1.61 0.28 -1.26 -4.73 120.64 115.43 1hxy n GLU 184 Ca 0.00 -0.30 -0.33 0.00 -0.16 0.00 0.00 57.16 56.37 1hxy n GLU 184 Cb 0.00 -0.88 -0.10 0.00 1.43 0.00 0.00 31.44 31.89 1hxy n GLU 184 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1hxy s ASN 185 N -1.14 4.81 0.31 -1.84 0.01 -1.26 -3.89 114.94 111.93 1hxy s ASN 185 Ca 0.04 -0.04 0.02 0.00 -0.71 0.00 0.00 52.86 52.17 1hxy s ASN 185 Cb 0.04 -1.21 0.59 0.00 0.41 0.00 0.00 41.25 41.09 1hxy s ASN 185 CO 0.16 0.32 1.89 0.44 -1.51 0.00 0.00 177.10 178.40 1hxy h ASP 186 N 4.77 0.86 -0.91 -1.22 5.19 -1.93 0.47 116.42 123.66 1hxy h ASP 186 Ca -0.49 0.02 0.24 0.00 -0.62 0.00 0.00 57.03 56.18 1hxy h ASP 186 Cb 1.17 -0.16 -0.05 0.00 0.18 0.00 0.00 39.33 40.47 1hxy h ASP 186 CO 0.54 0.51 0.62 1.88 -3.12 0.00 0.00 179.24 179.68 1hxy h TYR 187 N 0.95 0.30 0.00 4.55 -1.99 -1.95 0.47 116.97 119.30 1hxy h TYR 187 Ca 0.42 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 61.13 1hxy h TYR 187 Cb 0.36 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 39.00 1hxy h TYR 187 CO -0.00 0.07 -0.80 0.39 -0.00 0.00 0.00 178.16 177.81 1hxy n GLU 188 N -4.41 0.49 -0.30 4.88 4.71 0.05 -4.32 120.64 121.74 1hxy n GLU 188 Ca 0.19 0.40 0.06 0.00 -0.01 0.00 0.00 57.16 57.81 1hxy n GLU 188 Cb 0.84 -1.59 0.16 0.00 -1.01 0.00 0.00 31.44 29.84 1hxy n GLU 188 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1hxy h ILE 189 N -1.00 0.17 -0.00 -3.67 2.04 0.13 -1.07 117.51 114.11 1hxy h ILE 189 Ca -0.04 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1hxy h ILE 189 Cb 0.77 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1hxy h ILE 189 CO -0.03 0.01 0.00 0.47 0.00 0.00 0.00 178.15 178.60 1hxy n ASP 190 N -5.49 0.05 0.09 1.72 8.00 0.16 -3.64 116.55 117.45 1hxy n ASP 190 Ca 0.15 -1.04 0.08 0.00 0.71 0.00 0.00 54.79 54.68 1hxy n ASP 190 Cb 0.51 -0.00 0.38 0.00 -0.02 0.00 0.00 41.12 41.98 1hxy n ASP 190 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1hxy n LYS 191 N -0.95 0.10 0.29 -1.24 5.02 -0.41 -1.54 118.16 119.43 1hxy n LYS 191 Ca 0.23 0.50 0.17 0.00 -2.02 0.00 0.00 58.31 57.20 1hxy n LYS 191 Cb 0.12 -1.76 0.81 0.00 -0.02 0.00 0.00 35.03 34.18 1hxy n LYS 191 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1hxy h ILE 192 N 0.00 0.13 -0.00 -0.18 3.07 -1.78 -2.87 117.51 115.88 1hxy h ILE 192 Ca 0.00 -0.43 0.00 0.00 1.55 0.00 0.00 64.86 65.98 1hxy h ILE 192 Cb 0.11 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.04 1hxy h ILE 192 CO 0.00 0.04 -0.81 -1.22 -1.05 0.00 0.00 178.15 175.10 1hxy n TYR 193 N -3.20 0.00 0.20 0.16 0.53 -0.59 -4.51 117.16 109.75 1hxy n TYR 193 Ca -0.01 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 57.01 1hxy n TYR 193 Cb 0.25 -0.02 0.71 0.00 -1.03 0.00 0.00 39.34 39.24 1hxy n TYR 193 CO 0.00 0.00 0.00 1.05 -1.02 0.00 0.00 176.86 176.89 1hxy h GLU 194 N 0.69 0.00 0.00 -0.72 4.11 -1.62 0.16 114.58 117.20 1hxy h GLU 194 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1hxy h GLU 194 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1hxy h GLU 194 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 178.68 1hxy n ASP 195 N -2.41 0.21 -2.95 3.06 5.75 -1.26 -1.03 116.55 117.92 1hxy n ASP 195 Ca -0.02 0.54 -0.20 0.00 -0.01 0.00 0.00 54.79 55.11 1hxy n ASP 195 Cb 0.04 -0.59 0.01 0.00 -1.03 0.00 0.00 41.12 39.55 1hxy n ASP 195 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1hxy n ASN 196 N -1.72 -4.52 -4.60 -1.12 5.15 0.55 -4.84 115.26 104.16 1hxy n ASN 196 Ca 0.04 -0.17 -0.52 0.00 -0.60 0.00 0.00 54.58 53.32 1hxy n ASN 196 Cb 0.22 -3.74 -0.06 0.00 -0.53 0.00 0.00 39.78 35.67 1hxy n ASN 196 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1hxy n LYS 197 N -3.49 1.16 -4.77 1.20 3.00 -1.26 -4.85 118.16 109.14 1hxy n LYS 197 Ca -0.09 0.42 -0.25 0.00 -0.00 0.00 0.00 58.31 58.39 1hxy n LYS 197 Cb 0.59 -2.07 -0.16 0.00 0.00 0.00 0.00 35.03 33.40 1hxy n LYS 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1hxy s THR 198 N 0.75 1.31 0.15 3.15 2.01 -1.26 -1.82 115.64 119.93 1hxy s THR 198 Ca 0.86 -0.68 0.08 0.00 0.31 0.00 0.00 61.69 62.25 1hxy s THR 198 Cb -0.96 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1hxy s THR 198 CO 0.48 0.38 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.95 1hxy s LEU 199 N -0.17 3.08 -0.40 4.42 1.43 0.37 -4.93 118.68 122.47 1hxy s LEU 199 Ca 0.01 -0.46 -0.25 0.00 -1.03 0.00 0.00 54.13 52.41 1hxy s LEU 199 Cb -0.09 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.35 1hxy s LEU 199 CO 0.01 0.13 0.87 -0.75 0.23 0.00 0.00 176.35 176.84 1hxy s LYS 200 N -2.59 3.67 0.31 1.70 2.20 -1.26 -1.43 119.74 122.33 1hxy s LYS 200 Ca 0.24 0.30 0.07 0.00 -0.36 0.00 0.00 55.97 56.21 1hxy s LYS 200 Cb -0.10 -3.86 0.85 0.00 -1.51 0.00 0.00 37.83 33.21 1hxy s LYS 200 CO 0.15 -1.02 1.66 0.77 -0.36 0.00 0.00 175.35 176.55 1hxy h SER 201 N 8.72 0.20 0.95 1.43 0.02 -1.60 0.28 113.55 123.55 1hxy h SER 201 Ca -0.24 0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1hxy h SER 201 Cb 1.08 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 1hxy h SER 201 CO 0.97 -0.14 -0.18 0.44 -1.14 0.00 0.00 176.83 176.78 1hxy h ASP 202 N 0.26 0.00 0.97 3.07 3.32 -1.92 -2.78 116.42 119.34 1hxy h ASP 202 Ca 0.62 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.67 1hxy h ASP 202 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1hxy h ASP 202 CO -0.63 0.18 0.00 0.47 -1.72 0.00 0.00 179.24 177.54 1hxy n ASP 203 N -3.34 0.10 -4.77 6.45 8.00 0.98 -4.83 116.55 119.14 1hxy n ASP 203 Ca 0.00 0.51 -0.38 0.00 0.71 0.00 0.00 54.79 55.64 1hxy n ASP 203 Cb 0.41 -0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 40.91 1hxy n ASP 203 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1hxy s ILE 204 N -3.02 4.12 0.00 0.53 1.01 -1.05 0.23 121.20 123.02 1hxy s ILE 204 Ca 0.12 1.86 0.00 0.00 0.00 0.00 0.00 60.65 62.64 1hxy s ILE 204 Cb 0.17 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1hxy s ILE 204 CO 0.49 0.24 0.00 -0.24 0.00 0.00 0.00 174.94 175.44 1hxy n SER 205 N 0.81 0.00 -2.83 3.58 2.88 -0.14 -4.54 113.62 113.38 1hxy n SER 205 Ca 0.01 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1hxy n SER 205 Cb 0.49 -0.39 0.02 0.00 -0.75 0.00 0.00 64.21 63.58 1hxy n SER 205 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hxy n HIS 206 N -2.36 -1.79 -5.14 0.66 1.44 -0.93 -4.58 115.22 102.53 1hxy n HIS 206 Ca 0.00 -1.43 -0.30 0.00 -2.01 0.00 0.00 57.72 53.98 1hxy n HIS 206 Cb 0.00 0.71 -0.15 0.00 0.12 0.00 0.00 29.99 30.66 1hxy n HIS 206 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1hxy s ILE 207 N -2.15 2.02 -0.09 0.61 1.01 -0.64 -0.05 121.20 121.92 1hxy s ILE 207 Ca 0.17 -1.18 0.03 0.00 0.00 0.00 0.00 60.65 59.68 1hxy s ILE 207 Cb -0.04 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1hxy s ILE 207 CO 0.08 0.49 -0.20 -1.81 0.00 0.00 0.00 174.94 173.50 1hxy s ASP 208 N -0.81 2.65 -0.11 3.58 1.01 -0.13 -0.36 116.67 122.51 1hxy s ASP 208 Ca 0.10 -0.47 0.03 0.00 0.71 0.00 0.00 52.55 52.92 1hxy s ASP 208 Cb -0.10 -1.22 -0.00 0.00 1.01 0.00 0.00 42.92 42.61 1hxy s ASP 208 CO 0.00 0.12 -0.21 -0.69 0.21 0.00 0.00 175.17 174.60 1hxy s VAL 209 N 0.45 2.29 -0.14 -1.27 1.01 0.97 -0.39 120.40 123.31 1hxy s VAL 209 Ca -0.17 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1hxy s VAL 209 Cb -0.17 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.33 1hxy s VAL 209 CO 0.07 0.55 -0.11 0.20 0.00 0.00 0.00 175.10 175.81 1hxy s ASN 210 N 0.42 2.59 0.20 3.32 0.01 -0.20 -1.41 114.94 119.87 1hxy s ASN 210 Ca -0.15 -0.48 0.11 0.00 -0.71 0.00 0.00 52.86 51.63 1hxy s ASN 210 Cb -0.17 -1.05 -0.04 0.00 0.41 0.00 0.00 41.25 40.39 1hxy s ASN 210 CO 0.07 -0.10 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.59 1hxy s LEU 211 N 1.56 2.54 -0.01 0.60 1.43 -0.61 -0.16 118.68 124.03 1hxy s LEU 211 Ca 0.04 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.33 1hxy s LEU 211 Cb -0.13 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1hxy s LEU 211 CO -0.09 0.11 -0.03 -0.31 0.23 0.00 0.00 176.35 176.26 1hxy s TYR 212 N -1.72 0.33 -2.20 0.29 1.51 0.14 -1.38 117.35 114.31 1hxy s TYR 212 Ca 0.22 -0.05 0.30 0.00 -1.01 0.00 0.00 57.07 56.53 1hxy s TYR 212 Cb -0.08 -0.25 1.56 0.00 -0.11 0.00 0.00 41.96 43.08 1hxy s TYR 212 CO 0.11 -0.03 2.03 0.25 -1.11 0.00 0.00 175.55 176.80