#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hxy n GLU 4 N 0.00 0.00 -4.19 3.44 1.02 -1.26 -5.11 120.64 114.54 1hxy n GLU 4 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1hxy n GLU 4 Cb 0.00 -0.06 -0.10 0.00 -0.02 0.00 0.00 31.44 31.26 1hxy n GLU 4 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1hxy s HIS 5 N -0.17 1.00 -0.06 -0.32 3.76 -1.26 -5.07 115.29 113.17 1hxy s HIS 5 Ca 0.00 -0.86 0.00 0.00 -0.15 0.00 0.00 55.06 54.06 1hxy s HIS 5 Cb 0.00 -0.55 0.02 0.00 1.11 0.00 0.00 32.58 33.16 1hxy s HIS 5 CO 0.00 -0.08 -0.04 0.08 -0.85 0.00 0.00 174.74 173.85 1hxy s VAL 6 N -3.46 0.59 -0.16 -0.90 1.01 -1.26 -5.02 120.40 111.20 1hxy s VAL 6 Ca 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 1hxy s VAL 6 Cb 0.04 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 1hxy s VAL 6 CO -0.03 0.26 -0.06 -0.63 0.00 0.00 0.00 175.10 174.64 1hxy s ILE 7 N 1.28 3.66 -0.12 2.22 1.01 -1.26 -1.48 121.20 126.51 1hxy s ILE 7 Ca -0.05 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1hxy s ILE 7 Cb -0.14 -2.60 0.01 0.00 0.01 0.00 0.00 42.46 39.75 1hxy s ILE 7 CO -0.02 0.49 -0.18 -0.63 0.00 0.00 0.00 174.94 174.60 1hxy s ILE 8 N 0.48 1.74 -0.37 2.92 1.01 -0.44 -4.96 121.20 121.58 1hxy s ILE 8 Ca -0.05 -0.79 -0.15 0.00 0.00 0.00 0.00 60.65 59.66 1hxy s ILE 8 Cb -0.15 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.77 1hxy s ILE 8 CO 0.03 0.49 0.32 -1.58 0.00 0.00 0.00 174.94 174.20 1hxy s GLN 9 N 0.85 3.29 -0.06 2.79 0.74 -1.26 -0.39 119.66 125.62 1hxy s GLN 9 Ca -0.08 -0.73 0.05 0.00 0.05 0.00 0.00 55.36 54.66 1hxy s GLN 9 Cb -0.15 -3.88 -0.01 0.00 1.10 0.00 0.00 33.01 30.06 1hxy s GLN 9 CO -0.00 -0.62 -0.23 0.00 -0.55 0.00 0.00 175.29 173.88 1hxy s ALA 10 N 1.84 2.04 0.02 1.58 0.00 -0.49 -5.00 121.76 121.75 1hxy s ALA 10 Ca 0.08 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 1hxy s ALA 10 Cb -0.18 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1hxy s ALA 10 CO 0.11 0.37 0.18 -1.83 0.00 0.00 0.00 175.76 174.59 1hxy s GLU 11 N -0.05 0.60 0.14 0.00 -1.05 -1.26 -1.55 118.70 115.54 1hxy s GLU 11 Ca -0.06 -0.49 -0.16 0.00 -0.15 0.00 0.00 54.97 54.12 1hxy s GLU 11 Cb -0.14 0.25 0.03 0.00 -0.44 0.00 0.00 34.13 33.83 1hxy s GLU 11 CO 0.04 -0.16 0.42 -0.59 0.95 0.00 0.00 175.26 175.92 1hxy s PHE 12 N -1.93 -0.16 -0.02 4.83 -0.12 -0.94 -4.98 117.98 114.67 1hxy s PHE 12 Ca -0.10 -0.17 0.01 0.00 -0.05 0.00 0.00 56.93 56.62 1hxy s PHE 12 Cb -0.04 0.27 0.02 0.00 -0.63 0.00 0.00 43.02 42.64 1hxy s PHE 12 CO -0.01 -0.75 -0.02 -0.47 -0.05 0.00 0.00 175.22 173.93 1hxy s TYR 13 N -3.83 0.36 -0.07 3.49 5.04 -1.26 -1.23 117.35 119.86 1hxy s TYR 13 Ca 0.05 -0.04 0.05 0.00 -2.44 0.00 0.00 57.07 54.69 1hxy s TYR 13 Cb 0.01 -0.37 -0.01 0.00 0.35 0.00 0.00 41.96 41.95 1hxy s TYR 13 CO -0.09 -0.09 -0.22 -1.17 -1.34 0.00 0.00 175.55 172.63 1hxy s LEU 14 N 0.64 2.02 0.20 6.97 2.96 0.13 -4.98 118.68 126.62 1hxy s LEU 14 Ca -0.07 -0.48 0.10 0.00 -0.22 0.00 0.00 54.13 53.46 1hxy s LEU 14 Cb -0.10 -1.27 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 1hxy s LEU 14 CO -0.01 0.19 -0.13 0.20 -1.32 0.00 0.00 176.35 175.28 1hxy s ASN 15 N 0.05 4.01 0.00 3.68 0.01 -1.26 0.63 114.94 122.06 1hxy s ASN 15 Ca -0.08 -0.69 0.32 0.00 -0.71 0.00 0.00 52.86 51.69 1hxy s ASN 15 Cb -0.14 -0.58 1.89 0.00 0.41 0.00 0.00 41.25 42.83 1hxy s ASN 15 CO 0.05 0.09 2.22 -0.81 -1.51 0.00 0.00 177.10 177.14 1hxy n PRO 16 N -0.03 0.97 -0.12 -0.60 -0.04 -1.26 -4.86 135.00 129.06 1hxy n PRO 16 Ca -0.10 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.40 1hxy n PRO 16 Cb 0.56 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.88 1hxy n PRO 16 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1hxy h ASP 17 N 0.00 0.64 -2.59 3.54 5.19 -2.02 -3.46 116.42 117.72 1hxy h ASP 17 Ca 0.00 -0.01 -0.22 0.00 -0.62 0.00 0.00 57.03 56.18 1hxy h ASP 17 Cb 0.02 -0.15 0.03 0.00 0.18 0.00 0.00 39.33 39.40 1hxy h ASP 17 CO 0.00 0.45 -0.33 0.00 -3.12 0.00 0.00 179.24 176.23 1hxy n GLN 18 N -4.46 -2.56 -4.30 3.56 6.02 0.20 -5.00 117.38 110.84 1hxy n GLN 18 Ca 0.07 0.51 -0.35 0.00 -0.01 0.00 0.00 57.00 57.22 1hxy n GLN 18 Cb 0.12 -4.54 -0.10 0.00 1.02 0.00 0.00 30.24 26.74 1hxy n GLN 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1hxy s SER 19 N -2.81 5.26 0.35 1.08 1.04 -1.04 -4.92 113.70 112.67 1hxy s SER 19 Ca 0.15 0.10 0.04 0.00 0.48 0.00 0.00 55.95 56.72 1hxy s SER 19 Cb -0.07 -1.63 -0.05 0.00 0.10 0.00 0.00 66.02 64.38 1hxy s SER 19 CO 0.19 0.31 0.08 -0.83 0.98 0.00 0.00 173.24 173.97 1hxy s GLY 20 N -0.48 2.25 0.00 7.32 0.00 -1.26 -0.69 107.32 114.46 1hxy s GLY 20 Ca 0.09 -1.77 -0.21 0.00 0.00 0.00 0.00 44.72 42.83 1hxy s GLY 20 CO 0.02 -1.83 0.46 1.85 0.00 0.00 0.00 173.10 173.60 1hxy s GLU 21 N -3.85 0.89 -0.20 2.90 2.12 -0.37 -4.90 118.70 115.29 1hxy s GLU 21 Ca 0.32 -0.14 -0.07 0.00 0.36 0.00 0.00 54.97 55.44 1hxy s GLU 21 Cb 0.07 0.41 0.09 0.00 0.26 0.00 0.00 34.13 34.95 1hxy s GLU 21 CO 0.15 -0.29 0.44 0.12 -0.54 0.00 0.00 175.26 175.14 1hxy s PHE 22 N -1.79 -0.82 0.21 5.30 2.19 -1.26 -2.21 117.98 119.61 1hxy s PHE 22 Ca -0.09 1.56 -0.18 0.00 0.33 0.00 0.00 56.93 58.54 1hxy s PHE 22 Cb -0.02 0.34 0.03 0.00 -1.31 0.00 0.00 43.02 42.05 1hxy s PHE 22 CO 0.03 -0.48 0.56 0.00 1.83 0.00 0.00 175.22 177.16 1hxy s MET 23 N 2.51 1.44 -0.04 10.12 0.23 -0.59 -1.20 119.30 131.77 1hxy s MET 23 Ca -0.03 -0.86 0.05 0.00 -1.03 0.00 0.00 55.69 53.82 1hxy s MET 23 Cb -0.12 0.54 -0.02 0.00 -1.53 0.00 0.00 34.83 33.70 1hxy s MET 23 CO -0.13 -0.62 -0.17 -0.06 -2.03 0.00 0.00 175.02 172.00 1hxy s PHE 24 N -3.88 2.61 0.05 3.16 0.40 -0.19 -1.40 117.98 118.74 1hxy s PHE 24 Ca 0.09 -0.23 0.09 0.00 -0.60 0.00 0.00 56.93 56.29 1hxy s PHE 24 Cb -0.02 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 1hxy s PHE 24 CO -0.02 0.14 -0.26 0.34 0.70 0.00 0.00 175.22 176.12 1hxy s ASP 25 N -0.74 3.14 -0.18 1.36 -1.08 0.48 0.27 116.67 119.91 1hxy s ASP 25 Ca 0.11 -0.60 -0.03 0.00 -0.52 0.00 0.00 52.55 51.51 1hxy s ASP 25 Cb -0.10 -0.27 0.06 0.00 -1.46 0.00 0.00 42.92 41.14 1hxy s ASP 25 CO 0.00 0.24 0.05 0.12 0.52 0.00 0.00 175.17 176.10 1hxy s PHE 26 N -0.83 0.81 -1.68 -5.34 5.36 0.63 -1.33 117.98 115.59 1hxy s PHE 26 Ca 0.12 -0.69 -0.18 0.00 -0.96 0.00 0.00 56.93 55.22 1hxy s PHE 26 Cb -0.10 -0.93 0.15 0.00 -0.34 0.00 0.00 43.02 41.80 1hxy s PHE 26 CO 0.02 -0.57 0.80 -0.25 -1.46 0.00 0.00 175.22 173.76 1hxy n ASP 27 N 5.11 -3.36 0.00 6.13 8.00 -0.55 -1.19 116.55 130.69 1hxy n ASP 27 Ca -0.08 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1hxy n ASP 27 Cb 0.48 -2.86 0.00 0.00 -0.02 0.00 0.00 41.12 38.71 1hxy n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hxy n GLY 28 N -1.44 1.01 3.61 0.44 0.00 -1.26 -5.05 105.19 102.49 1hxy n GLY 28 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1hxy n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hxy s ASP 29 N -2.85 4.80 0.25 1.61 1.01 -0.34 -5.05 116.67 116.11 1hxy s ASP 29 Ca 0.00 0.02 -0.30 0.00 0.71 0.00 0.00 52.55 52.99 1hxy s ASP 29 Cb 0.00 -1.25 -0.09 0.00 1.01 0.00 0.00 42.92 42.59 1hxy s ASP 29 CO 0.00 0.37 1.30 -0.70 0.21 0.00 0.00 175.17 176.35 1hxy s GLU 30 N -0.83 4.39 -0.24 8.23 2.12 -1.26 -0.27 118.70 130.85 1hxy s GLU 30 Ca 0.13 2.10 -0.11 0.00 0.36 0.00 0.00 54.97 57.46 1hxy s GLU 30 Cb -0.11 -3.15 -0.17 0.00 0.26 0.00 0.00 34.13 30.96 1hxy s GLU 30 CO 0.02 -0.21 -0.10 -0.89 -0.54 0.00 0.00 175.26 173.54 1hxy n ILE 31 N 1.92 1.56 -3.61 -3.70 5.41 0.14 -4.62 119.36 116.46 1hxy n ILE 31 Ca 0.04 -0.40 -0.05 0.00 1.00 0.00 0.00 62.75 63.34 1hxy n ILE 31 Cb 0.42 -1.78 -0.02 0.00 -0.71 0.00 0.00 39.64 37.56 1hxy n ILE 31 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1hxy s PHE 32 N -2.49 -0.20 0.11 1.39 -0.12 -1.23 -1.47 117.98 113.98 1hxy s PHE 32 Ca -0.33 0.03 -0.05 0.00 -0.05 0.00 0.00 56.93 56.52 1hxy s PHE 32 Cb 0.10 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 43.04 1hxy s PHE 32 CO 0.58 -0.54 0.14 -3.38 -0.05 0.00 0.00 175.22 171.97 1hxy s HIS 33 N -2.95 0.49 -0.21 3.49 -3.43 -0.36 -1.03 115.29 111.29 1hxy s HIS 33 Ca 0.09 -0.91 -0.08 0.00 -0.80 0.00 0.00 55.06 53.37 1hxy s HIS 33 Cb -0.00 -0.24 -0.04 0.00 -1.43 0.00 0.00 32.58 30.87 1hxy s HIS 33 CO -0.04 -0.55 0.07 0.08 -2.00 0.00 0.00 174.74 172.30 1hxy s VAL 34 N -3.95 4.70 -0.56 -5.38 1.01 -0.34 0.13 120.40 116.00 1hxy s VAL 34 Ca 0.14 -0.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.79 1hxy s VAL 34 Cb 0.06 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.30 1hxy s VAL 34 CO -0.04 0.41 1.48 -0.62 0.00 0.00 0.00 175.10 176.33 1hxy s ASP 35 N 0.80 6.02 0.35 3.32 -1.08 0.42 -4.58 116.67 121.91 1hxy s ASP 35 Ca 0.04 0.31 0.07 0.00 -0.52 0.00 0.00 52.55 52.46 1hxy s ASP 35 Cb -0.13 -2.54 0.77 0.00 -1.46 0.00 0.00 42.92 39.55 1hxy s ASP 35 CO 0.02 -1.79 1.88 0.24 0.52 0.00 0.00 175.17 176.04 1hxy h MET 36 N 11.56 0.73 0.20 4.34 2.86 -1.91 0.85 114.93 133.56 1hxy h MET 36 Ca -0.27 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1hxy h MET 36 Cb 1.10 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1hxy h MET 36 CO 1.18 0.48 -0.10 0.00 1.06 0.00 0.00 176.91 179.53 1hxy h ALA 37 N 1.59 -0.42 -0.07 6.32 0.00 -1.96 -3.30 119.26 121.41 1hxy h ALA 37 Ca 0.44 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.31 1hxy h ALA 37 Cb 0.62 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1hxy h ALA 37 CO -0.20 -0.40 0.05 0.87 0.00 0.00 0.00 179.25 179.57 1hxy h LYS 38 N -0.63 0.00 -3.32 0.00 1.57 -1.96 -3.46 116.57 108.77 1hxy h LYS 38 Ca -0.03 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.51 1hxy h LYS 38 Cb 0.21 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.57 1hxy h LYS 38 CO 0.05 0.00 -0.38 1.63 -0.57 0.00 0.00 179.45 180.17 1hxy n LYS 39 N -4.31 -3.76 -4.16 3.15 5.02 0.29 -5.04 118.16 109.36 1hxy n LYS 39 Ca -0.01 0.52 -0.16 0.00 -2.02 0.00 0.00 58.31 56.64 1hxy n LYS 39 Cb 0.16 -4.58 -0.11 0.00 -0.02 0.00 0.00 35.03 30.47 1hxy n LYS 39 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1hxy s GLU 40 N -5.48 0.79 -0.10 1.97 -1.05 -1.19 -4.77 118.70 108.87 1hxy s GLU 40 Ca 0.26 -1.02 -0.17 0.00 -0.15 0.00 0.00 54.97 53.89 1hxy s GLU 40 Cb -0.11 -0.62 -0.05 0.00 -0.44 0.00 0.00 34.13 32.91 1hxy s GLU 40 CO 0.32 0.12 0.45 0.95 0.95 0.00 0.00 175.26 178.04 1hxy s THR 41 N -1.80 5.17 -0.25 1.83 -4.23 -1.26 -0.44 115.64 114.65 1hxy s THR 41 Ca 0.00 0.89 -0.05 0.00 -1.18 0.00 0.00 61.69 61.35 1hxy s THR 41 Cb -0.07 -3.78 -0.00 0.00 1.34 0.00 0.00 72.50 69.99 1hxy s THR 41 CO 0.01 0.38 0.02 -0.69 -0.54 0.00 0.00 174.62 173.80 1hxy s VAL 42 N 0.30 3.73 0.31 2.29 1.01 0.12 -4.95 120.40 123.21 1hxy s VAL 42 Ca 0.24 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 1hxy s VAL 42 Cb -0.15 -2.80 -0.10 0.00 0.00 0.00 0.00 36.38 33.33 1hxy s VAL 42 CO 0.10 0.28 0.92 0.26 0.00 0.00 0.00 175.10 176.66 1hxy s TRP 43 N 1.50 3.70 0.33 5.22 0.52 -1.26 -1.23 118.94 127.73 1hxy s TRP 43 Ca 0.04 1.74 0.07 0.00 0.02 0.00 0.00 56.10 57.97 1hxy s TRP 43 Cb -0.16 -2.89 0.58 0.00 -1.15 0.00 0.00 33.47 29.86 1hxy s TRP 43 CO -0.00 0.24 1.80 -0.09 0.02 0.00 0.00 176.95 178.92 1hxy h ARG 44 N 3.25 0.30 -4.06 4.98 9.65 -1.51 -3.39 114.38 123.60 1hxy h ARG 44 Ca -0.47 -0.10 -0.47 0.00 -1.10 0.00 0.00 59.98 57.84 1hxy h ARG 44 Cb 1.19 -0.02 -0.36 0.00 -1.39 0.00 0.00 29.97 29.39 1hxy h ARG 44 CO 0.65 0.54 -0.79 -0.51 2.80 0.00 0.00 179.97 182.66 1hxy s LEU 45 N -8.58 1.10 0.33 3.80 1.43 -1.26 -5.04 118.68 110.46 1hxy s LEU 45 Ca -0.05 -0.20 0.12 0.00 -1.03 0.00 0.00 54.13 52.97 1hxy s LEU 45 Cb 0.14 -0.63 1.00 0.00 0.03 0.00 0.00 46.19 46.73 1hxy s LEU 45 CO 0.76 -0.11 1.69 1.05 0.23 0.00 0.00 176.35 179.98 1hxy h GLU 46 N 7.83 0.43 -1.02 1.70 -0.00 -1.99 -0.58 114.58 120.95 1hxy h GLU 46 Ca -0.29 -0.03 0.25 0.00 -0.00 0.00 0.00 59.36 59.29 1hxy h GLU 46 Cb 1.14 -0.10 -0.10 0.00 -0.00 0.00 0.00 28.75 29.70 1hxy h GLU 46 CO 0.39 0.28 0.65 0.93 -0.00 0.00 0.00 179.01 181.26 1hxy h GLU 47 N 0.44 0.45 -0.65 1.06 3.07 -1.96 0.44 114.58 117.45 1hxy h GLU 47 Ca 0.69 -0.03 0.08 0.00 -0.50 0.00 0.00 59.36 59.60 1hxy h GLU 47 Cb 1.47 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 29.24 1hxy h GLU 47 CO -0.54 0.30 0.43 0.74 -1.40 0.00 0.00 179.01 178.54 1hxy h PHE 48 N 0.47 0.60 0.00 4.33 0.04 -1.50 -1.74 116.94 119.13 1hxy h PHE 48 Ca 0.59 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.38 1hxy h PHE 48 Cb 1.36 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1hxy h PHE 48 CO -0.00 0.30 0.00 0.41 -0.60 0.00 0.00 178.31 178.42 1hxy n GLY 49 N -1.48 -0.78 0.13 -1.45 0.00 0.15 -3.16 105.19 98.59 1hxy n GLY 49 Ca 0.10 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1hxy n GLY 49 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1hxy h ARG 50 N 0.00 0.32 0.00 1.61 2.43 -1.44 -3.38 114.38 113.92 1hxy h ARG 50 Ca 0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1hxy h ARG 50 Cb 0.12 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1hxy h ARG 50 CO 0.00 0.65 0.00 1.19 -1.51 0.00 0.00 179.97 180.30 1hxy n PHE 51 N -4.63 0.00 -4.20 2.20 3.01 -1.25 -4.99 117.46 107.59 1hxy n PHE 51 Ca -0.06 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.08 1hxy n PHE 51 Cb 0.30 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.69 1hxy n PHE 51 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hxy s ALA 52 N -0.83 3.40 0.02 4.37 0.00 -1.19 -5.11 121.76 122.43 1hxy s ALA 52 Ca 0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 50.96 1hxy s ALA 52 Cb 0.00 -1.43 -0.00 0.00 0.00 0.00 0.00 23.12 21.69 1hxy s ALA 52 CO 0.00 0.67 0.12 -1.54 0.00 0.00 0.00 175.76 175.01 1hxy s SER 53 N -1.68 0.10 -0.09 0.00 1.04 -1.26 -4.47 113.70 107.34 1hxy s SER 53 Ca 0.21 -0.39 -0.05 0.00 0.48 0.00 0.00 55.95 56.20 1hxy s SER 53 Cb -0.12 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.26 1hxy s SER 53 CO 0.12 -0.46 0.21 0.12 0.98 0.00 0.00 173.24 174.21 1hxy s PHE 54 N -2.12 -0.25 -0.51 5.02 5.36 -1.26 -5.12 117.98 119.10 1hxy s PHE 54 Ca -0.09 0.63 -0.28 0.00 -0.96 0.00 0.00 56.93 56.22 1hxy s PHE 54 Cb -0.04 0.03 0.03 0.00 -0.34 0.00 0.00 43.02 42.70 1hxy s PHE 54 CO -0.02 -0.17 1.13 -1.21 -1.46 0.00 0.00 175.22 173.49 1hxy s GLU 55 N 0.82 3.63 0.59 10.12 0.41 -1.26 -4.72 118.70 128.29 1hxy s GLU 55 Ca -0.06 0.41 0.29 0.00 -0.41 0.00 0.00 54.97 55.20 1hxy s GLU 55 Cb -0.07 -3.95 1.60 0.00 -1.78 0.00 0.00 34.13 29.93 1hxy s GLU 55 CO -0.05 -1.47 2.02 0.00 -0.49 0.00 0.00 175.26 175.28 1hxy h ALA 56 N 9.32 1.90 -0.73 5.21 0.00 -1.93 0.03 119.26 133.05 1hxy h ALA 56 Ca -0.24 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1hxy h ALA 56 Cb 1.06 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1hxy h ALA 56 CO 1.14 -0.44 0.48 0.37 0.00 0.00 0.00 179.25 180.79 1hxy h GLN 57 N 0.00 0.93 -0.89 0.00 4.15 -1.91 -1.31 115.11 116.08 1hxy h GLN 57 Ca 0.13 -0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.58 1hxy h GLN 57 Cb 0.74 -0.21 -0.06 0.00 0.21 0.00 0.00 27.48 28.16 1hxy h GLN 57 CO -0.00 0.61 0.58 0.78 -1.93 0.00 0.00 178.83 178.87 1hxy h GLY 58 N 0.95 1.28 0.76 2.39 0.00 -1.39 -2.32 103.07 104.74 1hxy h GLY 58 Ca 0.28 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1hxy h GLY 58 CO -0.08 0.23 -0.04 0.00 0.00 0.00 0.00 176.54 176.66 1hxy h ALA 59 N 1.54 -0.11 -0.91 3.60 0.00 -1.33 -3.07 119.26 118.99 1hxy h ALA 59 Ca 0.40 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.28 1hxy h ALA 59 Cb 0.34 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1hxy h ALA 59 CO -0.16 -0.44 0.59 -0.07 0.00 0.00 0.00 179.25 179.16 1hxy h LEU 60 N -0.35 0.83 0.28 0.00 3.38 -0.94 -1.41 115.31 117.10 1hxy h LEU 60 Ca -0.01 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1hxy h LEU 60 Cb 0.30 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1hxy h LEU 60 CO 0.02 0.49 -0.24 0.00 0.09 0.00 0.00 178.44 178.80 1hxy h ALA 61 N 1.55 -0.52 -0.47 1.53 0.00 -1.40 -1.90 119.26 118.04 1hxy h ALA 61 Ca 0.42 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.33 1hxy h ALA 61 Cb 0.40 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1hxy h ALA 61 CO -0.18 -0.82 0.06 -0.91 0.00 0.00 0.00 179.25 177.39 1hxy h ASN 62 N -0.54 -0.08 -0.99 0.00 4.21 -1.27 -2.08 115.58 114.84 1hxy h ASN 62 Ca -0.02 0.09 0.09 0.00 1.21 0.00 0.00 56.30 57.68 1hxy h ASN 62 Cb 0.48 0.15 -0.07 0.00 -1.12 0.00 0.00 38.32 37.75 1hxy h ASN 62 CO -0.02 -0.01 0.63 0.40 -1.29 0.00 0.00 177.43 177.13 1hxy h ILE 63 N 0.18 1.00 -0.80 2.81 1.08 -0.96 0.32 117.51 121.15 1hxy h ILE 63 Ca 0.24 -0.37 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1hxy h ILE 63 Cb 0.33 -0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 33.88 1hxy h ILE 63 CO -0.34 0.20 0.49 0.00 -0.69 0.00 0.00 178.15 177.80 1hxy h ALA 64 N 1.49 1.37 -0.19 1.87 0.00 -0.64 0.21 119.26 123.37 1hxy h ALA 64 Ca 0.46 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.14 1hxy h ALA 64 Cb 0.31 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1hxy h ALA 64 CO -0.22 0.56 -0.46 0.28 0.00 0.00 0.00 179.25 179.41 1hxy h VAL 65 N 1.09 1.33 -0.81 0.00 2.07 -1.02 -2.13 116.25 116.77 1hxy h VAL 65 Ca 0.29 -1.70 0.02 0.00 0.82 0.00 0.00 66.70 66.13 1hxy h VAL 65 Cb -0.06 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 1hxy h VAL 65 CO -0.06 0.53 0.53 0.44 0.02 0.00 0.00 177.57 179.03 1hxy h ASP 66 N 0.32 0.89 -0.77 0.57 3.32 -0.36 0.17 116.42 120.57 1hxy h ASP 66 Ca -0.01 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.06 1hxy h ASP 66 Cb 1.07 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.37 1hxy h ASP 66 CO 0.10 0.63 0.48 0.50 -1.72 0.00 0.00 179.24 179.24 1hxy h LYS 67 N 1.05 0.91 -0.56 3.56 3.64 -0.53 -0.49 116.57 124.16 1hxy h LYS 67 Ca 0.31 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 1hxy h LYS 67 Cb -0.05 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 1hxy h LYS 67 CO -0.09 0.60 -0.06 0.00 -2.27 0.00 0.00 179.45 177.63 1hxy h ALA 68 N 1.33 0.84 -0.03 5.00 0.00 -0.46 -2.90 119.26 123.03 1hxy h ALA 68 Ca 0.31 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1hxy h ALA 68 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1hxy h ALA 68 CO -0.12 0.66 -0.52 -0.91 0.00 0.00 0.00 179.25 178.37 1hxy h ASN 69 N 0.91 0.09 -0.82 0.00 2.35 -0.22 -2.70 115.58 115.19 1hxy h ASN 69 Ca 0.15 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1hxy h ASN 69 Cb 0.61 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 1hxy h ASN 69 CO 0.04 0.59 0.39 0.25 -1.65 0.00 0.00 177.43 177.05 1hxy h LEU 70 N 0.07 1.08 -0.14 1.61 5.85 -0.92 0.40 115.31 123.25 1hxy h LEU 70 Ca -0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1hxy h LEU 70 Cb 0.94 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1hxy h LEU 70 CO 0.07 0.92 0.09 -0.33 -0.34 0.00 0.00 178.44 178.85 1hxy h GLU 71 N 1.17 0.18 -0.49 1.25 5.08 -1.32 -0.06 114.58 120.38 1hxy h GLU 71 Ca 0.28 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1hxy h GLU 71 Cb 0.13 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1hxy h GLU 71 CO -0.03 0.12 0.27 0.82 -1.00 0.00 0.00 179.01 179.18 1hxy h ILE 72 N 0.18 1.17 0.00 3.13 2.04 -1.12 -2.70 117.51 120.20 1hxy h ILE 72 Ca 0.05 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 1hxy h ILE 72 Cb -0.01 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1hxy h ILE 72 CO -0.02 0.18 -0.33 0.24 0.00 0.00 0.00 178.15 178.22 1hxy h MET 73 N 0.65 0.00 -0.56 2.37 2.86 -0.77 -0.55 114.93 118.92 1hxy h MET 73 Ca 0.17 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.73 1hxy h MET 73 Cb 0.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1hxy h MET 73 CO -0.03 0.33 0.02 1.15 1.06 0.00 0.00 176.91 179.44 1hxy h THR 74 N 0.00 1.26 0.19 2.22 2.02 -0.71 -1.18 112.91 116.72 1hxy h THR 74 Ca -0.00 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 1hxy h THR 74 Cb 0.88 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1hxy h THR 74 CO 0.04 0.39 -0.09 0.11 0.37 0.00 0.00 175.52 176.34 1hxy h LYS 75 N 0.86 -0.25 -0.61 6.66 1.57 -1.32 1.07 116.57 124.55 1hxy h LYS 75 Ca 0.16 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 59.14 1hxy h LYS 75 Cb 0.51 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1hxy h LYS 75 CO 0.02 0.10 0.58 -0.09 -0.57 0.00 0.00 179.45 179.50 1hxy h ARG 76 N -0.96 0.00 -0.03 3.15 2.43 -1.13 0.69 114.38 118.53 1hxy h ARG 76 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1hxy h ARG 76 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1hxy h ARG 76 CO 0.04 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.37 1hxy n SER 77 N -3.80 1.99 -1.41 -3.80 3.41 -0.45 -4.93 113.62 104.63 1hxy n SER 77 Ca 0.12 -1.67 -0.09 0.00 -0.26 0.00 0.00 58.87 56.98 1hxy n SER 77 Cb 0.81 -0.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.78 1hxy n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1hxy n ASN 78 N 0.56 -3.43 -2.96 4.04 3.02 0.24 -3.38 115.26 113.35 1hxy n ASN 78 Ca 0.17 -0.13 -0.22 0.00 -0.03 0.00 0.00 54.58 54.38 1hxy n ASN 78 Cb 0.43 -2.29 0.02 0.00 -0.61 0.00 0.00 39.78 37.34 1hxy n ASN 78 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1hxy n TYR 79 N -3.70 -1.76 -2.57 3.10 4.02 0.37 -4.91 117.16 111.70 1hxy n TYR 79 Ca -0.04 0.40 -0.43 0.00 -0.01 0.00 0.00 57.90 57.82 1hxy n TYR 79 Cb 0.54 -3.95 -0.02 0.00 -0.02 0.00 0.00 39.34 35.90 1hxy n TYR 79 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1hxy s THR 80 N -3.06 4.45 0.92 -0.72 -4.23 -1.22 -5.00 115.64 106.78 1hxy s THR 80 Ca 0.26 1.71 -0.12 0.00 -1.18 0.00 0.00 61.69 62.36 1hxy s THR 80 Cb -0.12 -4.27 0.14 0.00 1.34 0.00 0.00 72.50 69.59 1hxy s THR 80 CO 0.32 -0.34 1.10 -2.16 -0.54 0.00 0.00 174.62 173.00 1hxy s PRO 81 N 3.59 1.11 0.41 3.99 0.04 -1.26 -5.03 135.00 137.85 1hxy s PRO 81 Ca 0.49 0.62 -0.22 0.00 0.04 0.00 0.00 61.00 61.92 1hxy s PRO 81 Cb -0.15 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 1hxy s PRO 81 CO 0.14 -2.29 0.97 -1.50 0.04 0.00 0.00 177.00 174.35 1hxy s ILE 82 N -3.03 4.23 -0.28 0.56 2.07 -1.26 -5.02 121.20 118.47 1hxy s ILE 82 Ca 0.64 1.52 -0.17 0.00 -1.41 0.00 0.00 60.65 61.22 1hxy s ILE 82 Cb -0.17 -3.69 -0.03 0.00 0.13 0.00 0.00 42.46 38.71 1hxy s ILE 82 CO 0.56 -0.18 0.47 -0.89 -1.91 0.00 0.00 174.94 173.00 1hxy s THR 83 N -1.98 5.09 0.40 4.00 2.01 -1.26 -5.03 115.64 118.88 1hxy s THR 83 Ca 0.59 0.67 -0.27 0.00 0.31 0.00 0.00 61.69 63.00 1hxy s THR 83 Cb -0.13 -3.82 -0.10 0.00 0.01 0.00 0.00 72.50 68.46 1hxy s THR 83 CO 0.17 0.05 1.39 0.59 -0.69 0.00 0.00 174.62 176.13 1hxy n ASN 84 N 5.52 3.19 -3.74 3.53 3.02 -1.26 -4.78 115.26 120.73 1hxy n ASN 84 Ca -0.06 1.16 -0.30 0.00 -0.03 0.00 0.00 54.58 55.36 1hxy n ASN 84 Cb 0.50 -1.56 -0.15 0.00 -0.61 0.00 0.00 39.78 37.95 1hxy n ASN 84 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1hxy s VAL 85 N -1.16 0.84 0.70 2.41 1.01 -0.41 -4.90 120.40 118.89 1hxy s VAL 85 Ca 0.58 -1.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.10 1hxy s VAL 85 Cb -0.49 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1hxy s VAL 85 CO 0.60 -0.61 1.14 -0.81 0.00 0.00 0.00 175.10 175.42 1hxy n PRO 86 N 4.87 0.69 -2.06 2.72 -0.04 -1.26 -1.90 135.00 138.02 1hxy n PRO 86 Ca -0.03 0.30 -0.31 0.00 -0.04 0.00 0.00 63.50 63.42 1hxy n PRO 86 Cb 0.43 -2.38 -0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1hxy n PRO 86 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1hxy s PRO 87 N -3.47 3.68 -0.35 0.54 0.04 -1.26 -4.49 135.00 129.69 1hxy s PRO 87 Ca 0.77 0.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 1hxy s PRO 87 Cb -0.35 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.08 1hxy s PRO 87 CO 0.46 -0.47 0.20 -1.21 0.04 0.00 0.00 177.00 176.02 1hxy s GLU 88 N -4.87 3.10 -0.15 4.56 2.02 0.66 -4.89 118.70 119.12 1hxy s GLU 88 Ca 0.55 -0.89 -0.05 0.00 0.02 0.00 0.00 54.97 54.60 1hxy s GLU 88 Cb -0.11 -3.70 -0.03 0.00 0.10 0.00 0.00 34.13 30.39 1hxy s GLU 88 CO 0.48 -0.57 0.01 0.08 0.02 0.00 0.00 175.26 175.28 1hxy s VAL 89 N 1.61 4.33 -0.01 2.63 1.01 -1.26 -1.33 120.40 127.38 1hxy s VAL 89 Ca 0.04 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1hxy s VAL 89 Cb -0.18 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.29 1hxy s VAL 89 CO 0.07 0.50 -0.06 0.28 0.00 0.00 0.00 175.10 175.90 1hxy s THR 90 N 0.12 0.49 -0.30 3.92 -1.32 -0.66 -4.97 115.64 112.92 1hxy s THR 90 Ca 0.02 -0.24 -0.01 0.00 -1.21 0.00 0.00 61.69 60.25 1hxy s THR 90 Cb -0.13 -0.43 0.05 0.00 -1.51 0.00 0.00 72.50 70.48 1hxy s THR 90 CO 0.02 0.15 -0.01 -0.69 -2.21 0.00 0.00 174.62 171.88 1hxy s VAL 91 N 0.01 2.84 0.51 5.08 1.01 -1.26 -0.13 120.40 128.46 1hxy s VAL 91 Ca 0.00 -1.47 0.07 0.00 0.00 0.00 0.00 61.98 60.59 1hxy s VAL 91 Cb -0.04 -2.66 0.07 0.00 0.00 0.00 0.00 36.38 33.75 1hxy s VAL 91 CO -0.00 -0.12 0.61 0.18 0.00 0.00 0.00 175.10 175.77 1hxy n LEU 92 N 4.58 0.00 -4.27 3.92 4.32 0.43 -4.92 117.00 121.06 1hxy n LEU 92 Ca -0.13 -2.32 -0.24 0.00 -0.02 0.00 0.00 56.01 53.31 1hxy n LEU 92 Cb 0.43 -0.28 -0.13 0.00 -1.62 0.00 0.00 43.42 41.82 1hxy n LEU 92 CO 0.26 -0.65 -0.51 0.28 -1.22 0.00 0.00 177.39 175.54 1hxy s THR 93 N -2.27 1.64 0.42 -5.08 -1.32 -1.26 -1.08 115.64 106.71 1hxy s THR 93 Ca 0.46 -1.44 0.09 0.00 -1.21 0.00 0.00 61.69 59.60 1hxy s THR 93 Cb -0.04 -1.48 0.24 0.00 -1.51 0.00 0.00 72.50 69.70 1hxy s THR 93 CO 0.29 -0.01 2.04 -1.13 -2.21 0.00 0.00 174.62 173.60 1hxy h ASN 94 N 4.29 0.32 -5.09 8.08 -1.24 -1.11 -3.46 115.58 117.37 1hxy h ASN 94 Ca -0.45 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 56.53 1hxy h ASN 94 Cb 1.18 -0.08 -0.05 0.00 0.73 0.00 0.00 38.32 40.10 1hxy h ASN 94 CO 0.41 0.29 0.14 -0.94 -1.29 0.00 0.00 177.43 176.04 1hxy s SER 95 N -6.81 -0.06 0.00 1.15 1.04 -1.26 -5.01 113.70 102.75 1hxy s SER 95 Ca -0.07 -0.89 -0.34 0.00 0.48 0.00 0.00 55.95 55.13 1hxy s SER 95 Cb 0.17 0.73 -0.12 0.00 0.10 0.00 0.00 66.02 66.89 1hxy s SER 95 CO 0.72 -1.40 1.79 -2.65 0.98 0.00 0.00 173.24 172.69 1hxy n PRO 96 N -0.47 2.23 -2.33 4.02 -0.02 -1.26 -4.91 135.00 132.27 1hxy n PRO 96 Ca -0.04 0.81 -0.41 0.00 -2.02 0.00 0.00 63.50 61.84 1hxy n PRO 96 Cb 0.60 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 1hxy n PRO 96 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1hxy s VAL 97 N 3.08 3.30 0.00 -1.45 -7.23 -1.26 -5.03 120.40 111.82 1hxy s VAL 97 Ca 0.88 1.20 0.02 0.00 -1.81 0.00 0.00 61.98 62.26 1hxy s VAL 97 Cb -0.67 -3.76 -0.01 0.00 0.56 0.00 0.00 36.38 32.50 1hxy s VAL 97 CO 0.46 0.24 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.83 1hxy s GLU 98 N -0.93 0.45 0.28 4.82 2.02 -1.26 -5.10 118.70 118.97 1hxy s GLU 98 Ca 0.50 -0.26 -0.30 0.00 0.02 0.00 0.00 54.97 54.93 1hxy s GLU 98 Cb -0.35 -0.41 -0.12 0.00 0.10 0.00 0.00 34.13 33.35 1hxy s GLU 98 CO 0.42 0.11 1.48 1.28 0.02 0.00 0.00 175.26 178.57 1hxy n LEU 99 N 2.77 3.75 0.00 1.80 4.77 -1.26 -2.12 117.00 126.70 1hxy n LEU 99 Ca -0.14 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 1hxy n LEU 99 Cb 0.58 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 1hxy n LEU 99 CO 0.25 -0.19 0.00 0.54 -1.33 0.00 0.00 177.39 176.66 1hxy n ARG 100 N 1.90 0.00 -3.05 3.23 1.74 -0.27 -4.96 116.66 115.25 1hxy n ARG 100 Ca 0.09 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.76 1hxy n ARG 100 Cb 0.34 -2.92 -0.06 0.00 -1.02 0.00 0.00 32.46 28.80 1hxy n ARG 100 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1hxy s GLU 101 N -0.15 3.94 0.13 5.56 2.12 -0.90 -4.80 118.70 124.59 1hxy s GLU 101 Ca 0.00 0.43 -0.31 0.00 0.36 0.00 0.00 54.97 55.45 1hxy s GLU 101 Cb 0.00 -3.72 -0.17 0.00 0.26 0.00 0.00 34.13 30.50 1hxy s GLU 101 CO 0.00 -0.60 0.68 -2.30 -0.54 0.00 0.00 175.26 172.50 1hxy n PRO 102 N 5.98 0.00 -3.90 4.30 -0.02 -1.26 -4.29 135.00 135.82 1hxy n PRO 102 Ca 0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.37 1hxy n PRO 102 Cb 0.49 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 1hxy n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1hxy n ASN 103 N 1.76 -1.92 -3.79 2.55 2.85 -0.48 -5.00 115.26 111.23 1hxy n ASN 103 Ca 0.18 -2.75 -0.20 0.00 -0.11 0.00 0.00 54.58 51.70 1hxy n ASN 103 Cb 0.19 3.33 -0.17 0.00 1.24 0.00 0.00 39.78 44.36 1hxy n ASN 103 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1hxy s VAL 104 N -2.41 0.25 -0.07 3.44 1.01 -1.26 -0.50 120.40 120.86 1hxy s VAL 104 Ca 0.22 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.03 1hxy s VAL 104 Cb -0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 1hxy s VAL 104 CO 0.16 0.20 0.93 -0.76 0.00 0.00 0.00 175.10 175.62 1hxy s LEU 105 N 1.46 4.29 -0.18 3.92 1.43 -0.01 -0.43 118.68 129.17 1hxy s LEU 105 Ca -0.03 1.47 -0.02 0.00 -1.03 0.00 0.00 54.13 54.51 1hxy s LEU 105 Cb -0.13 -3.44 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 1hxy s LEU 105 CO -0.03 -0.33 -0.08 -0.63 0.23 0.00 0.00 176.35 175.51 1hxy s ILE 106 N 1.53 3.28 -0.34 -0.59 1.01 -0.24 -1.45 121.20 124.39 1hxy s ILE 106 Ca 0.46 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 1hxy s ILE 106 Cb -0.19 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.86 1hxy s ILE 106 CO 0.20 0.47 0.15 0.00 0.00 0.00 0.00 174.94 175.77 1hxy s PHE 108 N 1.53 3.23 -0.27 0.00 5.36 0.82 -2.01 117.98 126.63 1hxy s PHE 108 Ca 0.02 -0.41 -0.12 0.00 -0.96 0.00 0.00 56.93 55.46 1hxy s PHE 108 Cb -0.18 -2.58 -0.05 0.00 -0.34 0.00 0.00 43.02 39.87 1hxy s PHE 108 CO 0.05 -0.51 0.23 0.42 -1.46 0.00 0.00 175.22 173.95 1hxy s ILE 109 N 1.75 5.29 0.07 3.12 1.01 -0.23 -1.65 121.20 130.56 1hxy s ILE 109 Ca 0.06 0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.97 1hxy s ILE 109 Cb -0.18 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1hxy s ILE 109 CO 0.11 0.25 -0.00 -0.62 0.00 0.00 0.00 174.94 174.68 1hxy s ASP 110 N 1.56 0.44 -1.27 3.58 2.15 -0.44 -0.60 116.67 122.08 1hxy s ASP 110 Ca 0.09 -1.02 -0.05 0.00 0.43 0.00 0.00 52.55 52.00 1hxy s ASP 110 Cb -0.15 0.23 -0.01 0.00 -0.30 0.00 0.00 42.92 42.69 1hxy s ASP 110 CO 0.09 -0.63 0.68 0.29 -0.17 0.00 0.00 175.17 175.43 1hxy n LYS 111 N 0.06 -3.61 -4.41 4.34 5.02 -0.96 -0.25 118.16 118.35 1hxy n LYS 111 Ca -0.12 0.56 -0.21 0.00 -2.02 0.00 0.00 58.31 56.52 1hxy n LYS 111 Cb 0.62 -4.87 -0.09 0.00 -0.02 0.00 0.00 35.03 30.66 1hxy n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1hxy s PHE 112 N -3.66 1.74 -0.28 2.13 -0.71 -1.13 -4.48 117.98 111.60 1hxy s PHE 112 Ca 0.14 -1.20 -0.29 0.00 -1.04 0.00 0.00 56.93 54.54 1hxy s PHE 112 Cb -0.04 -1.07 0.19 0.00 -1.21 0.00 0.00 43.02 40.89 1hxy s PHE 112 CO 0.83 -0.28 1.34 -0.08 -1.34 0.00 0.00 175.22 175.69 1hxy s THR 113 N -3.44 0.00 1.06 -4.49 -1.32 -0.80 -0.42 115.64 106.23 1hxy s THR 113 Ca 0.33 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.67 1hxy s THR 113 Cb 0.06 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.27 1hxy s THR 113 CO 0.15 0.00 1.10 -2.16 -2.21 0.00 0.00 174.62 171.50 1hxy s PRO 114 N -0.88 -0.09 -1.22 7.08 0.04 -1.26 -1.29 135.00 137.36 1hxy s PRO 114 Ca 0.08 0.34 -0.16 0.00 0.04 0.00 0.00 61.00 61.30 1hxy s PRO 114 Cb -0.01 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 1hxy s PRO 114 CO -0.08 -3.04 2.17 -0.35 0.04 0.00 0.00 177.00 175.74 1hxy n PRO 115 N -4.36 2.43 -3.66 0.56 -0.04 -1.26 -4.80 135.00 123.86 1hxy n PRO 115 Ca 0.07 -2.28 -0.16 0.00 -0.04 0.00 0.00 63.50 61.09 1hxy n PRO 115 Cb 0.58 -3.10 -0.15 0.00 -0.04 0.00 0.00 33.50 30.78 1hxy n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hxy s VAL 116 N 3.73 -0.29 0.03 0.52 1.01 -1.26 -5.05 120.40 119.09 1hxy s VAL 116 Ca 0.52 0.34 -0.11 0.00 0.00 0.00 0.00 61.98 62.72 1hxy s VAL 116 Cb 0.14 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 36.20 1hxy s VAL 116 CO -0.02 0.14 0.23 0.54 0.00 0.00 0.00 175.10 175.99 1hxy s VAL 117 N 2.32 0.09 -0.28 2.92 0.11 -1.26 -4.77 120.40 119.53 1hxy s VAL 117 Ca 0.03 -0.77 0.01 0.00 -2.93 0.00 0.00 61.98 58.32 1hxy s VAL 117 Cb -0.12 -0.82 0.08 0.00 -1.53 0.00 0.00 36.38 33.99 1hxy s VAL 117 CO -0.06 -0.42 0.03 0.21 -3.33 0.00 0.00 175.10 171.52 1hxy s ASN 118 N -1.89 4.02 -0.09 3.54 3.84 -0.93 -4.98 114.94 118.45 1hxy s ASN 118 Ca -0.07 -1.51 -0.03 0.00 0.21 0.00 0.00 52.86 51.46 1hxy s ASN 118 Cb -0.02 -1.11 -0.03 0.00 -0.55 0.00 0.00 41.25 39.53 1hxy s ASN 118 CO -0.02 -0.33 0.02 -0.69 -2.79 0.00 0.00 177.10 173.29 1hxy s VAL 119 N 1.41 4.47 -0.03 -5.21 1.01 -1.26 -0.80 120.40 119.99 1hxy s VAL 119 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 1hxy s VAL 119 Cb -0.18 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.34 1hxy s VAL 119 CO -0.13 0.60 0.06 -0.89 0.00 0.00 0.00 175.10 174.74 1hxy s THR 120 N -0.84 -0.05 0.00 3.92 2.01 -0.23 -4.98 115.64 115.47 1hxy s THR 120 Ca 0.13 0.18 -0.11 0.00 0.31 0.00 0.00 61.69 62.19 1hxy s THR 120 Cb -0.11 -0.12 -0.05 0.00 0.01 0.00 0.00 72.50 72.22 1hxy s THR 120 CO 0.02 0.07 0.35 0.26 -0.69 0.00 0.00 174.62 174.64 1hxy s TRP 121 N 0.96 3.66 -0.09 4.92 0.52 -1.26 -0.33 118.94 127.32 1hxy s TRP 121 Ca -0.08 0.83 -0.01 0.00 0.02 0.00 0.00 56.10 56.86 1hxy s TRP 121 Cb -0.11 -2.17 0.03 0.00 -1.15 0.00 0.00 33.47 30.07 1hxy s TRP 121 CO -0.03 0.63 -0.04 -0.51 0.02 0.00 0.00 176.95 177.01 1hxy s LEU 122 N -1.34 0.93 -0.27 2.99 1.02 0.15 -0.77 118.68 121.39 1hxy s LEU 122 Ca 0.25 -0.19 -0.13 0.00 0.02 0.00 0.00 54.13 54.08 1hxy s LEU 122 Cb -0.15 -0.64 -0.04 0.00 0.02 0.00 0.00 46.19 45.38 1hxy s LEU 122 CO 0.13 -0.15 0.27 -0.60 0.02 0.00 0.00 176.35 176.03 1hxy s ARG 123 N 1.76 4.00 -1.09 1.70 3.52 0.11 -1.47 118.95 127.48 1hxy s ARG 123 Ca 0.04 -0.14 -0.06 0.00 -0.13 0.00 0.00 55.73 55.44 1hxy s ARG 123 Cb -0.13 -3.64 0.05 0.00 -1.56 0.00 0.00 34.95 29.67 1hxy s ARG 123 CO -0.06 -0.18 0.30 0.09 -0.81 0.00 0.00 175.30 174.63 1hxy n ASN 124 N 5.05 -3.42 0.00 -2.12 3.02 0.94 -0.38 115.26 118.34 1hxy n ASN 124 Ca -0.12 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 1hxy n ASN 124 Cb 0.51 -2.88 0.00 0.00 -0.61 0.00 0.00 39.78 36.81 1hxy n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hxy n GLY 125 N -0.99 0.72 3.24 7.41 0.00 -1.26 -5.04 105.19 109.27 1hxy n GLY 125 Ca -0.05 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1hxy n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hxy s LYS 126 N -0.52 2.45 0.47 1.61 1.02 0.49 -5.03 119.74 120.22 1hxy s LYS 126 Ca 0.00 -0.84 -0.24 0.00 0.02 0.00 0.00 55.97 54.91 1hxy s LYS 126 Cb 0.00 -2.05 -0.08 0.00 -0.52 0.00 0.00 37.83 35.17 1hxy s LYS 126 CO 0.00 0.33 1.19 -2.30 -0.92 0.00 0.00 175.35 173.66 1hxy n PRO 127 N 3.05 1.64 -4.37 -1.68 -0.02 -1.26 0.07 135.00 132.43 1hxy n PRO 127 Ca -0.18 0.59 -0.27 0.00 -2.02 0.00 0.00 63.50 61.62 1hxy n PRO 127 Cb 0.52 -2.32 -0.13 0.00 -0.02 0.00 0.00 33.50 31.55 1hxy n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1hxy s VAL 128 N -1.27 2.14 0.00 -1.45 1.01 0.05 -4.76 120.40 116.12 1hxy s VAL 128 Ca 0.65 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.85 1hxy s VAL 128 Cb -0.49 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1hxy s VAL 128 CO 0.55 -0.01 0.00 0.41 0.00 0.00 0.00 175.10 176.05 1hxy n THR 129 N 0.77 0.00 -1.63 3.92 -1.04 -1.26 -4.56 114.28 110.47 1hxy n THR 129 Ca -0.17 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.59 1hxy n THR 129 Cb 0.54 0.15 -0.05 0.00 -1.82 0.00 0.00 70.33 69.15 1hxy n THR 129 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1hxy s THR 130 N 0.00 3.07 0.00 12.58 -4.23 -1.26 -2.77 115.64 123.02 1hxy s THR 130 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 1hxy s THR 130 Cb 0.00 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1hxy s THR 130 CO 0.00 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 1hxy n GLY 131 N 6.43 0.72 3.76 3.99 0.00 -1.26 -4.73 105.19 114.10 1hxy n GLY 131 Ca 0.41 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 1hxy n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hxy s VAL 132 N -2.51 3.51 0.34 1.61 -7.23 -1.11 -4.43 120.40 110.58 1hxy s VAL 132 Ca 0.00 1.48 0.05 0.00 -1.81 0.00 0.00 61.98 61.71 1hxy s VAL 132 Cb 0.00 -3.93 -0.03 0.00 0.56 0.00 0.00 36.38 32.98 1hxy s VAL 132 CO 0.00 0.32 0.21 -0.94 -0.31 0.00 0.00 175.10 174.38 1hxy s SER 133 N -0.96 1.88 0.03 4.85 1.04 -0.96 -4.98 113.70 114.59 1hxy s SER 133 Ca 0.46 -1.69 -0.28 0.00 0.48 0.00 0.00 55.95 54.92 1hxy s SER 133 Cb -0.31 0.51 0.09 0.00 0.10 0.00 0.00 66.02 66.42 1hxy s SER 133 CO 0.39 -0.99 0.87 -1.83 0.98 0.00 0.00 173.24 172.67 1hxy s GLU 134 N -3.61 0.90 0.48 4.02 -1.05 -1.26 -1.64 118.70 116.54 1hxy s GLU 134 Ca 0.35 -0.36 0.08 0.00 -0.15 0.00 0.00 54.97 54.89 1hxy s GLU 134 Cb 0.03 0.40 0.03 0.00 -0.44 0.00 0.00 34.13 34.15 1hxy s GLU 134 CO 0.22 -0.40 0.58 0.95 0.95 0.00 0.00 175.26 177.56 1hxy s THR 135 N -3.19 2.50 0.56 1.83 -4.23 -0.23 -5.00 115.64 107.87 1hxy s THR 135 Ca 0.06 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1hxy s THR 135 Cb -0.01 -2.64 0.11 0.00 1.34 0.00 0.00 72.50 71.30 1hxy s THR 135 CO -0.08 0.00 0.77 1.33 -0.54 0.00 0.00 174.62 176.10 1hxy n VAL 136 N -1.90 0.00 -2.23 2.29 0.24 -1.26 -4.58 118.33 110.89 1hxy n VAL 136 Ca 0.08 -1.22 -0.42 0.00 -2.04 0.00 0.00 64.34 60.74 1hxy n VAL 136 Cb 0.61 -0.99 -0.03 0.00 -1.47 0.00 0.00 33.84 31.96 1hxy n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1hxy s PHE 137 N -2.31 3.01 0.00 6.34 0.40 -1.26 -4.65 117.98 119.51 1hxy s PHE 137 Ca 0.51 0.90 -0.05 0.00 -0.60 0.00 0.00 56.93 57.69 1hxy s PHE 137 Cb -0.03 -3.64 -0.04 0.00 0.51 0.00 0.00 43.02 39.81 1hxy s PHE 137 CO 0.34 -2.31 0.24 -0.51 0.70 0.00 0.00 175.22 173.67 1hxy s LEU 138 N 1.94 4.37 0.41 -0.37 1.43 0.37 -4.89 118.68 121.95 1hxy s LEU 138 Ca 0.63 0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 53.99 1hxy s LEU 138 Cb -0.33 -2.65 -0.09 0.00 0.03 0.00 0.00 46.19 43.16 1hxy s LEU 138 CO 0.28 0.26 1.01 -2.16 0.23 0.00 0.00 176.35 175.96 1hxy s PRO 139 N -1.81 4.16 0.21 1.29 0.04 -1.26 -0.48 135.00 137.14 1hxy s PRO 139 Ca 0.27 1.37 0.11 0.00 0.04 0.00 0.00 61.00 62.80 1hxy s PRO 139 Cb -0.13 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.96 1hxy s PRO 139 CO 0.17 -0.12 -0.22 1.03 0.04 0.00 0.00 177.00 177.89 1hxy s ARG 140 N -2.73 1.53 0.54 4.56 0.52 -0.73 -4.79 118.95 117.85 1hxy s ARG 140 Ca 0.60 -1.58 0.32 0.00 -0.52 0.00 0.00 55.73 54.54 1hxy s ARG 140 Cb -0.18 -1.76 1.52 0.00 0.52 0.00 0.00 34.95 35.05 1hxy s ARG 140 CO 0.22 0.36 2.06 0.93 0.02 0.00 0.00 175.30 178.90 1hxy h GLU 141 N 2.95 0.00 -0.48 3.54 4.39 -1.98 -0.34 114.58 122.66 1hxy h GLU 141 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1hxy h GLU 141 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1hxy h GLU 141 CO 0.52 0.08 0.00 -0.40 -1.16 0.00 0.00 179.01 178.05 1hxy n ASP 142 N -3.35 2.25 -1.24 1.42 5.68 -1.26 -4.88 116.55 115.17 1hxy n ASP 142 Ca -0.01 -2.13 -0.16 0.00 -0.50 0.00 0.00 54.79 51.99 1hxy n ASP 142 Cb 0.26 -0.33 -0.07 0.00 -1.14 0.00 0.00 41.12 39.83 1hxy n ASP 142 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1hxy n HIS 143 N 0.45 0.00 -2.83 2.11 8.25 -0.14 -4.99 115.22 118.08 1hxy n HIS 143 Ca 0.12 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.39 1hxy n HIS 143 Cb 0.41 -2.89 0.08 0.00 1.12 0.00 0.00 29.99 28.71 1hxy n HIS 143 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1hxy n LEU 144 N -1.83 0.00 -4.40 2.41 4.77 -1.26 -4.86 117.00 111.83 1hxy n LEU 144 Ca -0.16 -2.06 -0.21 0.00 -0.03 0.00 0.00 56.01 53.55 1hxy n LEU 144 Cb 0.56 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 1hxy n LEU 144 CO 0.25 -0.80 -0.46 -0.36 -1.33 0.00 0.00 177.39 174.69 1hxy s PHE 145 N -2.42 1.98 0.29 -1.77 0.08 0.44 -1.77 117.98 114.81 1hxy s PHE 145 Ca 0.56 -0.47 0.11 0.00 0.12 0.00 0.00 56.93 57.25 1hxy s PHE 145 Cb -0.04 -0.89 -0.05 0.00 -0.57 0.00 0.00 43.02 41.47 1hxy s PHE 145 CO 0.36 0.52 -0.11 1.03 -0.10 0.00 0.00 175.22 176.92 1hxy s ARG 146 N -3.59 1.90 -0.16 0.44 0.52 0.37 -2.26 118.95 116.17 1hxy s ARG 146 Ca 0.26 -1.70 -0.28 0.00 -0.52 0.00 0.00 55.73 53.48 1hxy s ARG 146 Cb -0.03 -1.88 0.09 0.00 0.52 0.00 0.00 34.95 33.65 1hxy s ARG 146 CO 0.11 0.29 0.81 0.21 0.02 0.00 0.00 175.30 176.73 1hxy s LYS 147 N -3.59 0.82 0.01 3.54 2.20 0.23 -0.48 119.74 122.48 1hxy s LYS 147 Ca 0.31 0.48 0.05 0.00 -0.36 0.00 0.00 55.97 56.46 1hxy s LYS 147 Cb -0.04 0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 36.66 1hxy s LYS 147 CO 0.17 -0.20 -0.17 -0.06 -0.36 0.00 0.00 175.35 174.73 1hxy s PHE 148 N -0.55 1.47 0.03 4.03 0.40 -1.26 -1.06 117.98 121.04 1hxy s PHE 148 Ca -0.04 -0.31 0.04 0.00 -0.60 0.00 0.00 56.93 56.01 1hxy s PHE 148 Cb -0.02 -0.91 -0.02 0.00 0.51 0.00 0.00 43.02 42.58 1hxy s PHE 148 CO 0.04 0.01 -0.11 -1.01 0.70 0.00 0.00 175.22 174.85 1hxy s HIS 149 N -0.57 0.96 0.03 0.36 3.76 -0.85 -1.07 115.29 117.91 1hxy s HIS 149 Ca 0.05 -0.34 0.04 0.00 -0.15 0.00 0.00 55.06 54.66 1hxy s HIS 149 Cb -0.07 -0.58 -0.02 0.00 1.11 0.00 0.00 32.58 33.02 1hxy s HIS 149 CO 0.00 -0.00 -0.11 0.71 -0.85 0.00 0.00 174.74 174.49 1hxy s TYR 150 N -0.85 0.99 -0.25 1.40 1.51 -0.65 -1.16 117.35 118.34 1hxy s TYR 150 Ca -0.01 -0.35 -0.04 0.00 -1.01 0.00 0.00 57.07 55.66 1hxy s TYR 150 Cb -0.07 -0.59 0.09 0.00 -0.11 0.00 0.00 41.96 41.28 1hxy s TYR 150 CO 0.01 0.00 0.14 -1.17 -1.11 0.00 0.00 175.55 173.42 1hxy s LEU 151 N -1.10 0.39 0.38 -1.29 2.96 -0.53 -2.27 118.68 117.22 1hxy s LEU 151 Ca -0.01 -1.01 -0.27 0.00 -0.22 0.00 0.00 54.13 52.63 1hxy s LEU 151 Cb -0.08 -0.22 -0.09 0.00 0.50 0.00 0.00 46.19 46.31 1hxy s LEU 151 CO 0.01 -0.41 1.27 -2.16 -1.32 0.00 0.00 176.35 173.75 1hxy s PRO 152 N 2.14 4.12 0.23 0.98 0.04 -1.26 -0.83 135.00 140.43 1hxy s PRO 152 Ca 0.07 2.10 -0.13 0.00 0.04 0.00 0.00 61.00 63.08 1hxy s PRO 152 Cb -0.16 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1hxy s PRO 152 CO -0.28 -0.34 0.48 -0.59 0.04 0.00 0.00 177.00 176.31 1hxy s PHE 153 N -1.25 0.28 -0.36 0.56 -0.71 0.35 -4.88 117.98 111.97 1hxy s PHE 153 Ca 0.54 -0.64 -0.02 0.00 -1.04 0.00 0.00 56.93 55.76 1hxy s PHE 153 Cb -0.37 0.22 0.08 0.00 -1.21 0.00 0.00 43.02 41.74 1hxy s PHE 153 CO 0.48 -0.97 0.11 -1.17 -1.34 0.00 0.00 175.22 172.33 1hxy s LEU 154 N -2.99 4.62 -0.29 -1.99 2.96 -1.26 -1.38 118.68 118.35 1hxy s LEU 154 Ca 0.20 -1.66 -0.43 0.00 -0.22 0.00 0.00 54.13 52.02 1hxy s LEU 154 Cb -0.01 -1.78 -0.18 0.00 0.50 0.00 0.00 46.19 44.72 1hxy s LEU 154 CO 0.07 -0.41 1.52 -2.65 -1.32 0.00 0.00 176.35 173.56 1hxy n PRO 155 N 4.61 0.44 -4.02 0.98 -0.02 -1.26 -4.78 135.00 130.95 1hxy n PRO 155 Ca -0.07 0.16 -0.08 0.00 -2.02 0.00 0.00 63.50 61.49 1hxy n PRO 155 Cb 0.42 -1.73 -0.10 0.00 -0.02 0.00 0.00 33.50 32.08 1hxy n PRO 155 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1hxy s SER 156 N 2.38 0.37 0.25 2.55 0.15 -1.26 -1.11 113.70 117.02 1hxy s SER 156 Ca 0.99 -0.84 0.22 0.00 0.70 0.00 0.00 55.95 57.01 1hxy s SER 156 Cb -1.28 0.22 0.07 0.00 -1.71 0.00 0.00 66.02 63.32 1hxy s SER 156 CO 0.69 -0.59 1.18 0.71 1.20 0.00 0.00 173.24 176.43 1hxy h THR 157 N 3.26 0.10 -0.25 6.45 1.35 -1.93 -3.30 112.91 118.59 1hxy h THR 157 Ca -0.34 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 1hxy h THR 157 Cb 1.16 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1hxy h THR 157 CO 0.60 0.06 0.00 -0.62 -0.25 0.00 0.00 175.52 175.31 1hxy n GLU 158 N -2.83 1.87 -4.15 4.72 -0.58 -1.26 -4.91 120.64 113.49 1hxy n GLU 158 Ca -0.00 -1.03 -0.13 0.00 -0.42 0.00 0.00 57.16 55.58 1hxy n GLU 158 Cb 0.59 -1.38 -0.11 0.00 -0.57 0.00 0.00 31.44 29.97 1hxy n GLU 158 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1hxy s ASP 159 N -0.79 1.22 -0.00 1.62 1.01 -1.24 -5.01 116.67 113.48 1hxy s ASP 159 Ca 0.19 -0.82 0.01 0.00 0.71 0.00 0.00 52.55 52.64 1hxy s ASP 159 Cb 0.11 0.04 0.00 0.00 1.01 0.00 0.00 42.92 44.08 1hxy s ASP 159 CO 0.10 -0.32 -0.02 0.68 0.21 0.00 0.00 175.17 175.82 1hxy s VAL 160 N -2.60 0.20 0.21 -1.27 -7.23 -1.26 -4.31 120.40 104.14 1hxy s VAL 160 Ca 0.04 -0.09 0.11 0.00 -1.81 0.00 0.00 61.98 60.23 1hxy s VAL 160 Cb -0.02 -0.19 -0.04 0.00 0.56 0.00 0.00 36.38 36.69 1hxy s VAL 160 CO -0.01 0.07 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.32 1hxy s TYR 161 N 0.03 2.17 -0.08 2.82 1.51 0.12 -0.04 117.35 123.87 1hxy s TYR 161 Ca 0.00 -0.38 -0.06 0.00 -1.01 0.00 0.00 57.07 55.62 1hxy s TYR 161 Cb -0.02 -1.04 0.03 0.00 -0.11 0.00 0.00 41.96 40.82 1hxy s TYR 161 CO -0.00 0.51 0.21 -0.51 -1.11 0.00 0.00 175.55 174.64 1hxy s ASP 162 N -2.88 -0.21 -0.31 2.29 1.01 -0.54 -0.80 116.67 115.23 1hxy s ASP 162 Ca 0.22 0.43 -0.06 0.00 0.71 0.00 0.00 52.55 53.84 1hxy s ASP 162 Cb -0.06 0.37 0.02 0.00 1.01 0.00 0.00 42.92 44.26 1hxy s ASP 162 CO 0.10 -0.11 0.08 0.00 0.21 0.00 0.00 175.17 175.45 1hxy s ARG 164 N 1.46 4.11 -0.13 0.00 3.52 0.55 -1.29 118.95 127.17 1hxy s ARG 164 Ca 0.01 -0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.58 1hxy s ARG 164 Cb -0.18 -3.54 0.01 0.00 -1.56 0.00 0.00 34.95 29.68 1hxy s ARG 164 CO 0.02 0.01 -0.22 0.08 -0.81 0.00 0.00 175.30 174.38 1hxy s VAL 165 N 1.19 2.09 -0.10 7.11 1.01 -0.61 -1.07 120.40 130.02 1hxy s VAL 165 Ca 0.13 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1hxy s VAL 165 Cb -0.14 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1hxy s VAL 165 CO 0.06 0.55 -0.07 -1.61 0.00 0.00 0.00 175.10 174.03 1hxy s GLU 166 N 0.69 3.14 -0.16 2.72 2.02 0.02 -1.54 118.70 125.60 1hxy s GLU 166 Ca -0.10 -0.56 -0.22 0.00 0.02 0.00 0.00 54.97 54.11 1hxy s GLU 166 Cb -0.16 -2.70 0.06 0.00 0.10 0.00 0.00 34.13 31.42 1hxy s GLU 166 CO 0.01 0.46 0.57 -1.58 0.02 0.00 0.00 175.26 174.74 1hxy s HIS 167 N -0.27 -0.59 0.55 1.61 2.46 -1.26 -2.18 115.29 115.61 1hxy s HIS 167 Ca 0.04 1.32 0.26 0.00 0.47 0.00 0.00 55.06 57.14 1hxy s HIS 167 Cb -0.13 0.24 1.46 0.00 -0.13 0.00 0.00 32.58 34.03 1hxy s HIS 167 CO 0.03 -0.38 2.02 -1.49 -2.47 0.00 0.00 174.74 172.44 1hxy h TRP 168 N 4.59 0.00 -0.18 3.88 6.55 -1.95 -0.93 115.95 127.91 1hxy h TRP 168 Ca -0.28 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.56 1hxy h TRP 168 Cb 1.16 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.46 1hxy h TRP 168 CO 0.41 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 178.21 1hxy n GLY 169 N -1.56 1.67 3.27 1.49 0.00 -1.26 -4.76 105.19 104.03 1hxy n GLY 169 Ca 0.07 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1hxy n GLY 169 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hxy s LEU 170 N -0.84 2.05 -0.04 0.99 2.96 -0.35 -4.25 118.68 119.19 1hxy s LEU 170 Ca 0.16 -0.47 -0.21 0.00 -0.22 0.00 0.00 54.13 53.38 1hxy s LEU 170 Cb 0.12 -1.30 -0.16 0.00 0.50 0.00 0.00 46.19 45.35 1hxy s LEU 170 CO 0.05 0.27 0.91 0.44 -1.32 0.00 0.00 176.35 176.70 1hxy h ASP 171 N 5.82 -0.21 -2.47 3.68 3.32 -1.86 -3.46 116.42 121.25 1hxy h ASP 171 Ca -0.37 -0.32 -0.57 0.00 0.02 0.00 0.00 57.03 55.79 1hxy h ASP 171 Cb 1.15 0.05 -0.14 0.00 0.22 0.00 0.00 39.33 40.61 1hxy h ASP 171 CO 0.47 0.32 -0.75 -1.83 -1.72 0.00 0.00 179.24 175.73 1hxy s GLU 172 N -3.57 1.59 0.81 3.56 -1.05 -1.26 -5.12 118.70 113.66 1hxy s GLU 172 Ca -0.13 -1.73 -0.13 0.00 -0.15 0.00 0.00 54.97 52.83 1hxy s GLU 172 Cb 0.01 -1.59 0.08 0.00 -0.44 0.00 0.00 34.13 32.19 1hxy s GLU 172 CO 0.48 0.28 1.21 -2.14 0.95 0.00 0.00 175.26 176.03 1hxy s PRO 173 N -3.55 1.63 -0.41 -4.83 0.02 -1.26 -4.94 135.00 121.66 1hxy s PRO 173 Ca 0.28 1.76 -0.14 0.00 0.02 0.00 0.00 61.00 62.91 1hxy s PRO 173 Cb -0.03 -1.78 0.02 0.00 0.02 0.00 0.00 34.50 32.73 1hxy s PRO 173 CO 0.13 -2.22 0.29 -1.17 -0.33 0.00 0.00 177.00 173.70 1hxy s LEU 174 N -5.71 5.07 -0.37 -5.54 2.96 -0.59 -4.94 118.68 109.57 1hxy s LEU 174 Ca 0.73 -0.94 -0.14 0.00 -0.22 0.00 0.00 54.13 53.55 1hxy s LEU 174 Cb -0.29 -2.14 -0.00 0.00 0.50 0.00 0.00 46.19 44.26 1hxy s LEU 174 CO 0.51 -0.45 0.30 -0.76 -1.32 0.00 0.00 176.35 174.63 1hxy s LEU 175 N 1.65 4.68 -0.24 -0.68 1.43 -1.26 -1.58 118.68 122.69 1hxy s LEU 175 Ca 0.04 -0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 52.54 1hxy s LEU 175 Cb -0.19 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1hxy s LEU 175 CO 0.09 -0.35 0.11 -0.54 0.23 0.00 0.00 176.35 175.90 1hxy s LYS 176 N 1.82 3.85 0.31 1.70 -0.14 -0.41 -4.93 119.74 121.94 1hxy s LYS 176 Ca 0.08 -0.38 -0.09 0.00 -1.36 0.00 0.00 55.97 54.22 1hxy s LYS 176 Cb -0.18 -3.41 -0.06 0.00 -1.68 0.00 0.00 37.83 32.50 1hxy s LYS 176 CO 0.11 -0.06 0.63 -1.58 -0.76 0.00 0.00 175.35 173.69 1hxy s HIS 177 N 1.33 3.45 -0.17 3.18 5.65 -1.26 -1.16 115.29 126.31 1hxy s HIS 177 Ca 0.06 0.87 -0.09 0.00 0.25 0.00 0.00 55.06 56.14 1hxy s HIS 177 Cb -0.15 -2.28 0.06 0.00 -1.18 0.00 0.00 32.58 29.04 1hxy s HIS 177 CO 0.05 0.12 0.42 -0.46 -0.65 0.00 0.00 174.74 174.21 1hxy s TRP 178 N -2.08 -0.63 -0.03 3.88 -0.00 0.02 -4.92 118.94 115.17 1hxy s TRP 178 Ca 0.48 1.33 -0.15 0.00 -0.00 0.00 0.00 56.10 57.76 1hxy s TRP 178 Cb -0.11 0.28 0.03 0.00 -0.00 0.00 0.00 33.47 33.67 1hxy s TRP 178 CO 0.27 -0.36 0.33 -1.83 -0.00 0.00 0.00 176.95 175.35 1hxy s GLU 179 N 1.55 0.65 0.02 5.86 -1.05 -1.26 0.10 118.70 124.57 1hxy s GLU 179 Ca -0.09 -0.09 -0.30 0.00 -0.15 0.00 0.00 54.97 54.35 1hxy s GLU 179 Cb -0.09 0.29 -0.08 0.00 -0.44 0.00 0.00 34.13 33.82 1hxy s GLU 179 CO -0.13 -0.17 1.80 0.12 0.95 0.00 0.00 175.26 177.83 1hxy s PHE 180 N -1.12 1.76 -0.51 4.83 2.19 -1.26 -4.95 117.98 118.92 1hxy s PHE 180 Ca -0.12 -0.09 -0.17 0.00 0.33 0.00 0.00 56.93 56.89 1hxy s PHE 180 Cb -0.05 -4.08 0.08 0.00 -1.31 0.00 0.00 43.02 37.66 1hxy s PHE 180 CO 0.04 -4.67 0.52 0.34 1.83 0.00 0.00 175.22 173.28 1hxy s ASP 181 N 3.62 6.18 0.00 6.13 2.15 -1.26 -4.97 116.67 128.52 1hxy s ASP 181 Ca 0.80 -1.28 0.23 0.00 0.43 0.00 0.00 52.55 52.74 1hxy s ASP 181 Cb -0.39 -2.23 0.18 0.00 -0.30 0.00 0.00 42.92 40.18 1hxy s ASP 181 CO 0.36 -0.81 1.24 0.00 -0.17 0.00 0.00 175.17 175.79