#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxl s VAL 16 N 0.00 0.31 -0.22 1.61 1.01 -1.26 -5.12 120.40 116.73 3hxl s VAL 16 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 3hxl s VAL 16 Cb 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 3hxl s VAL 16 CO 0.00 0.10 -0.01 -0.47 0.00 0.00 0.00 175.10 174.72 3hxl s TYR 17 N 1.99 3.00 -0.04 5.22 5.04 -1.26 -5.10 117.35 126.20 3hxl s TYR 17 Ca 0.03 -0.69 0.06 0.00 -2.44 0.00 0.00 57.07 54.03 3hxl s TYR 17 Cb -0.14 -2.12 -0.01 0.00 0.35 0.00 0.00 41.96 40.04 3hxl s TYR 17 CO -0.06 -0.41 -0.22 0.42 -1.34 0.00 0.00 175.55 173.93 3hxl s ILE 18 N 1.34 1.80 0.03 3.14 1.01 -1.26 -5.14 121.20 122.13 3hxl s ILE 18 Ca 0.04 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.76 3hxl s ILE 18 Cb -0.15 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 3hxl s ILE 18 CO -0.00 0.51 -0.06 0.54 0.00 0.00 0.00 174.94 175.92 3hxl s ASN 19 N -0.26 0.65 0.06 3.58 2.20 -1.26 -5.16 114.94 114.75 3hxl s ASN 19 Ca 0.01 -0.52 0.08 0.00 -0.94 0.00 0.00 52.86 51.50 3hxl s ASN 19 Cb -0.11 0.05 -0.03 0.00 -2.00 0.00 0.00 41.25 39.16 3hxl s ASN 19 CO 0.02 -0.23 -0.23 -0.36 -2.94 0.00 0.00 177.10 173.36 3hxl s PHE 20 N -1.36 1.98 -0.05 1.54 0.40 -1.26 -5.14 117.98 114.08 3hxl s PHE 20 Ca -0.11 -0.39 -0.05 0.00 -0.60 0.00 0.00 56.93 55.78 3hxl s PHE 20 Cb -0.10 -1.16 0.02 0.00 0.51 0.00 0.00 43.02 42.29 3hxl s PHE 20 CO -0.00 0.14 0.14 0.15 0.70 0.00 0.00 175.22 176.35 3hxl s LYS 21 N -1.38 0.16 0.69 0.44 1.02 -1.26 -5.15 119.74 114.27 3hxl s LYS 21 Ca 0.09 0.21 -0.16 0.00 0.02 0.00 0.00 55.97 56.13 3hxl s LYS 21 Cb -0.09 0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.30 3hxl s LYS 21 CO 0.03 -0.03 1.20 -1.12 -0.92 0.00 0.00 175.35 174.50 3hxl s SER 22 N 0.14 4.50 -0.58 2.83 0.01 -1.26 -5.00 113.70 114.34 3hxl s SER 22 Ca -0.00 2.32 0.05 0.00 1.31 0.00 0.00 55.95 59.63 3hxl s SER 22 Cb -0.02 -2.59 0.19 0.00 0.21 0.00 0.00 66.02 63.82 3hxl s SER 22 CO -0.00 -2.05 0.51 1.21 0.41 0.00 0.00 173.24 173.31 3hxl n GLU 23 N -2.46 1.41 -1.36 12.44 4.07 -1.26 -5.12 120.64 128.37 3hxl n GLU 23 Ca 0.13 -4.04 -0.36 0.00 -0.06 0.00 0.00 57.16 52.83 3hxl n GLU 23 Cb 0.50 -2.00 0.08 0.00 -0.06 0.00 0.00 31.44 29.97 3hxl n GLU 23 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3hxl n PRO 24 N 1.90 0.49 0.00 5.31 -0.04 -1.26 -5.38 135.00 136.02 3hxl n PRO 24 Ca 0.25 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 3hxl n PRO 24 Cb 0.42 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 3hxl n PRO 24 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3hxl n GLN 25 N -1.49 0.00 0.00 0.54 7.27 -1.26 -5.34 117.38 117.11 3hxl n GLN 25 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.19 3hxl n GLN 25 Cb 0.49 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.14 3hxl n GLN 25 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3hxl n LEU 30 N 0.00 0.00 -4.65 1.69 4.77 -1.26 -5.35 117.00 112.19 3hxl n LEU 30 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 3hxl n LEU 30 Cb 0.00 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.26 3hxl n LEU 30 CO 0.00 0.00 0.64 -0.83 -1.33 0.00 0.00 177.39 175.87 3hxl s GLY 31 N 0.00 1.63 -0.12 -0.72 0.00 -1.26 -5.02 107.32 101.83 3hxl s GLY 31 Ca 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 44.72 44.90 3hxl s GLY 31 CO 0.00 0.71 -0.02 -0.54 0.00 0.00 0.00 173.10 173.25 3hxl s GLU 32 N -4.71 3.34 0.00 2.90 2.02 -1.26 -5.05 118.70 115.95 3hxl s GLU 32 Ca 0.66 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 55.18 3hxl s GLU 32 Cb -0.21 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.16 3hxl s GLU 32 CO 0.59 0.46 0.00 0.54 0.02 0.00 0.00 175.26 176.87 3hxl n ARG 33 N 2.87 1.76 -0.84 1.61 1.74 -1.26 -4.90 116.66 117.63 3hxl n ARG 33 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 3hxl n ARG 33 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 3hxl n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hxl n GLY 34 N 5.00 0.83 3.43 -0.13 0.00 0.11 -4.95 105.19 109.49 3hxl n GLY 34 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3hxl n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hxl s ILE 35 N -3.24 4.33 0.14 -0.61 1.01 -1.26 -1.08 121.20 120.49 3hxl s ILE 35 Ca 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 60.65 60.45 3hxl s ILE 35 Cb 0.00 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 3hxl s ILE 35 CO 0.00 0.25 -0.14 0.54 0.00 0.00 0.00 174.94 175.59 3hxl s VAL 36 N 1.60 3.01 0.37 2.92 0.11 -0.11 -1.08 120.40 127.22 3hxl s VAL 36 Ca 0.05 -1.56 0.05 0.00 -2.93 0.00 0.00 61.98 57.59 3hxl s VAL 36 Cb -0.16 -2.43 -0.03 0.00 -1.53 0.00 0.00 36.38 32.23 3hxl s VAL 36 CO 0.04 0.01 0.18 -0.55 -3.33 0.00 0.00 175.10 171.45 3hxl s SER 37 N -2.44 2.21 -0.05 3.54 0.15 -0.09 -0.25 113.70 116.77 3hxl s SER 37 Ca 0.21 -1.68 -0.00 0.00 0.70 0.00 0.00 55.95 55.18 3hxl s SER 37 Cb -0.10 0.50 0.03 0.00 -1.71 0.00 0.00 66.02 64.74 3hxl s SER 37 CO 0.12 -0.97 0.01 -2.16 1.20 0.00 0.00 173.24 171.45 3hxl s PRO 39 N -3.65 0.38 0.10 5.44 0.04 -1.26 -1.61 135.00 134.44 3hxl s PRO 39 Ca 0.31 0.12 0.04 0.00 0.04 0.00 0.00 61.00 61.51 3hxl s PRO 39 Cb 0.03 -0.67 -0.04 0.00 0.04 0.00 0.00 34.50 33.86 3hxl s PRO 39 CO 0.19 -0.21 -0.11 -0.51 0.04 0.00 0.00 177.00 176.40 3hxl s LEU 40 N 1.50 2.39 -0.32 -3.56 1.43 -0.02 -4.77 118.68 115.34 3hxl s LEU 40 Ca -0.03 -0.80 -0.13 0.00 -1.03 0.00 0.00 54.13 52.14 3hxl s LEU 40 Cb -0.13 -0.33 -0.02 0.00 0.03 0.00 0.00 46.19 45.73 3hxl s LEU 40 CO -0.03 -0.24 0.28 -0.63 0.23 0.00 0.00 176.35 175.96 3hxl s ILE 41 N -2.33 5.24 0.50 -0.59 1.01 -1.26 -0.69 121.20 123.08 3hxl s ILE 41 Ca 0.05 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.76 3hxl s ILE 41 Cb -0.04 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 3hxl s ILE 41 CO 0.00 0.04 0.07 -0.76 0.00 0.00 0.00 174.94 174.29 3hxl s LEU 42 N 1.86 2.44 0.00 2.97 1.43 -1.26 -5.02 118.68 121.11 3hxl s LEU 42 Ca 0.09 -1.55 0.09 0.00 -1.03 0.00 0.00 54.13 51.74 3hxl s LEU 42 Cb -0.17 -0.84 0.17 0.00 0.03 0.00 0.00 46.19 45.38 3hxl s LEU 42 CO 0.11 -0.83 1.01 -1.20 0.23 0.00 0.00 176.35 175.67 3hxl n SER 43 N -1.30 2.30 -3.57 2.29 7.64 -1.26 -4.82 113.62 114.90 3hxl n SER 43 Ca -0.15 -1.70 -0.06 0.00 1.01 0.00 0.00 58.87 57.97 3hxl n SER 43 Cb 0.67 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 3hxl n SER 43 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 3hxl s TRP 44 N -0.90 -0.26 0.00 1.43 -0.11 -1.26 -2.61 118.94 115.24 3hxl s TRP 44 Ca 0.15 0.11 0.00 0.00 1.22 0.00 0.00 56.10 57.59 3hxl s TRP 44 Cb 0.09 0.55 0.00 0.00 -1.50 0.00 0.00 33.47 32.61 3hxl s TRP 44 CO 0.13 -0.51 0.00 0.41 -4.62 0.00 0.00 176.95 172.35 3hxl n GLY 45 N -0.27 2.68 3.68 5.86 0.00 -1.26 -4.91 105.19 110.97 3hxl n GLY 45 Ca -0.07 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 3hxl n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hxl s GLU 46 N -3.32 4.16 0.38 1.61 2.12 -1.26 -4.79 118.70 117.60 3hxl s GLU 46 Ca 0.00 2.46 -0.10 0.00 0.36 0.00 0.00 54.97 57.69 3hxl s GLU 46 Cb 0.00 -3.79 -0.07 0.00 0.26 0.00 0.00 34.13 30.53 3hxl s GLU 46 CO 0.00 -0.84 0.73 -1.25 -0.54 0.00 0.00 175.26 173.36 3hxl s PRO 47 N 3.32 3.79 -1.26 4.30 0.04 -1.26 -4.39 135.00 139.53 3hxl s PRO 47 Ca 0.80 0.43 -0.05 0.00 0.04 0.00 0.00 61.00 62.22 3hxl s PRO 47 Cb -0.41 -2.44 0.03 0.00 0.04 0.00 0.00 34.50 31.72 3hxl s PRO 47 CO 0.35 0.03 0.31 0.41 0.04 0.00 0.00 177.00 178.14 3hxl n GLY 48 N -1.11 -0.50 0.00 0.56 0.00 -0.42 -4.95 105.19 98.77 3hxl n GLY 48 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3hxl n GLY 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hxl n LYS 49 N -3.42 0.00 -3.64 1.61 3.00 -1.26 -5.04 118.16 109.41 3hxl n LYS 49 Ca -0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.19 3hxl n LYS 49 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.55 3hxl n LYS 49 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3hxl s ILE 51 N 3.07 0.00 -0.21 3.15 1.01 0.13 -4.58 121.20 123.77 3hxl s ILE 51 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.58 3hxl s ILE 51 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3hxl s ILE 51 CO 0.00 0.00 0.07 -0.89 0.00 0.00 0.00 174.94 174.12 3hxl s THR 52 N 1.37 4.59 -0.11 2.92 2.01 -1.26 -0.05 115.64 125.12 3hxl s THR 52 Ca -0.09 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 61.83 3hxl s THR 52 Cb -0.04 -3.11 0.02 0.00 0.01 0.00 0.00 72.50 69.39 3hxl s THR 52 CO -0.16 0.40 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.44 3hxl s ILE 53 N 0.96 1.18 0.17 1.82 1.01 -0.41 -4.99 121.20 120.94 3hxl s ILE 53 Ca 0.04 -0.42 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 3hxl s ILE 53 Cb -0.14 -1.14 -0.07 0.00 0.01 0.00 0.00 42.46 41.12 3hxl s ILE 53 CO 0.03 0.39 0.54 -1.61 0.00 0.00 0.00 174.94 174.28 3hxl s GLU 54 N 1.36 3.90 0.29 2.79 0.41 -1.26 -0.78 118.70 125.39 3hxl s GLU 54 Ca -0.01 0.38 -0.30 0.00 -0.41 0.00 0.00 54.97 54.64 3hxl s GLU 54 Cb -0.14 -2.83 -0.13 0.00 -1.78 0.00 0.00 34.13 29.26 3hxl s GLU 54 CO -0.05 0.42 1.32 0.00 -0.49 0.00 0.00 175.26 176.47 3hxl n ALA 55 N 0.45 1.06 0.00 5.21 0.00 -0.51 -1.06 120.51 125.67 3hxl n ALA 55 Ca -0.03 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3hxl n ALA 55 Cb 0.52 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3hxl n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxl n GLY 56 N 1.50 2.59 3.74 0.00 0.00 -1.26 -5.04 105.19 106.73 3hxl n GLY 56 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3hxl n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hxl s ASP 57 N -1.68 5.01 -0.18 1.61 1.01 -0.22 -4.95 116.67 117.27 3hxl s ASP 57 Ca 0.00 2.56 -0.28 0.00 0.71 0.00 0.00 52.55 55.54 3hxl s ASP 57 Cb 0.00 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 3hxl s ASP 57 CO 0.00 -1.73 0.95 -0.62 0.21 0.00 0.00 175.17 173.99 3hxl s ASP 58 N -1.37 7.08 0.00 0.27 2.15 -1.26 -4.91 116.67 118.64 3hxl s ASP 58 Ca 0.78 1.34 0.23 0.00 0.43 0.00 0.00 52.55 55.33 3hxl s ASP 58 Cb -0.35 -2.51 0.17 0.00 -0.30 0.00 0.00 42.92 39.92 3hxl s ASP 58 CO 0.39 -0.51 1.21 1.33 -0.17 0.00 0.00 175.17 177.42 3hxl n VAL 59 N 4.91 0.00 -0.07 1.11 0.24 -1.26 -4.51 118.33 118.74 3hxl n VAL 59 Ca 0.08 -0.48 -0.09 0.00 -2.04 0.00 0.00 64.34 61.81 3hxl n VAL 59 Cb 0.48 1.46 -0.02 0.00 -1.47 0.00 0.00 33.84 34.29 3hxl n VAL 59 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3hxl h PHE 60 N 4.34 0.34 -0.43 6.34 3.57 -1.89 0.12 116.94 129.33 3hxl h PHE 60 Ca 0.00 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.54 3hxl h PHE 60 Cb 0.94 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 3hxl h PHE 60 CO 0.00 0.21 0.23 -1.35 -2.23 0.00 0.00 178.31 175.17 3hxl h PRO 61 N 0.36 0.45 0.24 6.41 0.11 -1.86 0.76 132.00 138.47 3hxl h PRO 61 Ca 0.10 -0.03 -0.33 0.00 0.11 0.00 0.00 66.00 65.85 3hxl h PRO 61 Cb -0.04 -0.10 0.03 0.00 0.11 0.00 0.00 31.00 31.00 3hxl h PRO 61 CO -0.02 0.30 -1.47 0.87 -0.21 0.00 0.00 178.00 177.47 3hxl h LYS 62 N 0.46 0.51 -0.02 1.05 1.57 -1.83 -3.38 116.57 114.93 3hxl h LYS 62 Ca 0.18 -0.87 0.00 0.00 -1.87 0.00 0.00 60.65 58.09 3hxl h LYS 62 Cb 0.06 0.32 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3hxl h LYS 62 CO -0.11 1.42 -0.20 1.28 -0.57 0.00 0.00 179.45 181.27 3hxl n LEU 63 N -3.74 2.37 0.00 2.94 4.77 0.39 -4.38 117.00 119.35 3hxl n LEU 63 Ca -0.18 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 3hxl n LEU 63 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 3hxl n LEU 63 CO 0.59 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 3hxl n GLY 64 N 1.26 0.28 3.23 -0.72 0.00 0.26 -4.54 105.19 104.97 3hxl n GLY 64 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 3hxl n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hxl s TYR 65 N -1.73 1.18 0.35 1.61 2.02 -1.25 -5.02 117.35 114.51 3hxl s TYR 65 Ca 0.00 -1.04 -0.10 0.00 -0.37 0.00 0.00 57.07 55.56 3hxl s TYR 65 Cb 0.00 -0.67 -0.07 0.00 -0.40 0.00 0.00 41.96 40.82 3hxl s TYR 65 CO 0.00 -0.24 0.69 0.45 -1.57 0.00 0.00 175.55 174.89 3hxl s SER 66 N -3.16 6.55 0.00 2.29 0.15 -1.26 -3.02 113.70 115.24 3hxl s SER 66 Ca 0.24 1.04 0.00 0.00 0.70 0.00 0.00 55.95 57.93 3hxl s SER 66 Cb 0.06 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 3hxl s SER 66 CO 0.04 -0.29 0.00 0.00 1.20 0.00 0.00 173.24 174.18 3hxl n ILE 67 N -0.97 0.00 -1.32 6.45 0.13 -1.26 -4.65 119.36 117.74 3hxl n ILE 67 Ca 0.01 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.66 3hxl n ILE 67 Cb 0.54 -0.59 0.00 0.00 -0.84 0.00 0.00 39.64 38.75 3hxl n ILE 67 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 3hxl n ASP 69 N 1.24 -1.81 -0.36 9.51 8.00 -1.26 -4.68 116.55 127.19 3hxl n ASP 69 Ca 0.00 0.59 0.34 0.00 0.71 0.00 0.00 54.79 56.44 3hxl n ASP 69 Cb 0.00 -2.23 0.71 0.00 -0.02 0.00 0.00 41.12 39.58 3hxl n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hxl h ALA 70 N 1.59 3.00 0.00 2.24 0.00 -2.02 0.86 119.26 124.94 3hxl h ALA 70 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hxl h ALA 70 Cb 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hxl h ALA 70 CO 0.00 -1.38 -0.04 1.96 0.00 0.00 0.00 179.25 179.79 3hxl h GLN 71 N 0.07 0.00 -0.41 0.00 7.50 -1.96 -2.42 115.11 117.89 3hxl h GLN 71 Ca 0.61 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.76 3hxl h GLN 71 Cb 2.26 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.79 3hxl h GLN 71 CO -0.08 0.04 0.00 1.28 -1.50 0.00 0.00 178.83 178.57 3hxl n LEU 72 N -3.80 4.16 -0.29 1.46 4.77 0.30 -4.73 117.00 118.88 3hxl n LEU 72 Ca -0.03 -2.68 0.02 0.00 -0.03 0.00 0.00 56.01 53.30 3hxl n LEU 72 Cb 0.13 -0.51 0.10 0.00 -2.33 0.00 0.00 43.42 40.80 3hxl n LEU 72 CO 0.28 0.71 0.69 -0.09 -1.33 0.00 0.00 177.39 177.66 3hxl h ARG 73 N 2.67 -0.00 -0.33 3.23 9.65 -1.49 -0.74 114.38 127.37 3hxl h ARG 73 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 3hxl h ARG 73 Cb 1.38 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.95 3hxl h ARG 73 CO 0.22 -0.00 0.04 -0.07 2.80 0.00 0.00 179.97 182.96 3hxl h LEU 74 N -0.00 0.45 -0.41 3.80 3.38 -1.86 -0.31 115.31 120.36 3hxl h LEU 74 Ca 0.39 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.19 3hxl h LEU 74 Cb 0.59 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3hxl h LEU 74 CO -0.84 0.48 -0.14 0.40 0.09 0.00 0.00 178.44 178.43 3hxl h ILE 75 N 0.47 1.28 -0.17 1.22 2.04 -1.53 -1.17 117.51 119.65 3hxl h ILE 75 Ca 0.11 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.71 3hxl h ILE 75 Cb 0.24 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3hxl h ILE 75 CO 0.00 0.42 0.11 -1.13 0.00 0.00 0.00 178.15 177.55 3hxl h ASN 76 N 0.63 0.20 -0.57 1.72 -0.73 -0.64 -2.35 115.58 113.84 3hxl h ASN 76 Ca 0.10 -0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.21 3hxl h ASN 76 Cb 0.68 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.20 3hxl h ASN 76 CO 0.05 0.17 0.22 -0.33 -0.37 0.00 0.00 177.43 177.17 3hxl h GLU 77 N 0.21 0.85 -0.43 6.67 4.39 -0.95 -2.79 114.58 122.54 3hxl h GLU 77 Ca 0.06 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 3hxl h GLU 77 Cb 0.00 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 3hxl h GLU 77 CO -0.01 0.74 0.15 0.00 -1.16 0.00 0.00 179.01 178.72 3hxl h ALA 78 N 1.07 1.46 -0.23 3.43 0.00 -1.10 -2.26 119.26 121.63 3hxl h ALA 78 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hxl h ALA 78 Cb 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hxl h ALA 78 CO -0.01 0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.92 3hxl n LEU 79 N -4.35 1.34 0.02 0.00 4.77 -0.89 -2.78 117.00 115.09 3hxl n LEU 79 Ca 0.03 -0.65 -0.08 0.00 -0.03 0.00 0.00 56.01 55.28 3hxl n LEU 79 Cb 0.16 -0.15 0.08 0.00 -2.33 0.00 0.00 43.42 41.18 3hxl n LEU 79 CO 0.38 0.33 0.50 0.11 -1.33 0.00 0.00 177.39 177.37 3hxl h LYS 80 N 1.52 0.50 0.00 3.23 1.57 -1.24 -3.37 116.57 118.78 3hxl h LYS 80 Ca 0.00 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3hxl h LYS 80 Cb 0.34 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 3hxl h LYS 80 CO 0.00 0.91 -1.06 0.54 -0.57 0.00 0.00 179.45 179.27 3hxl n ARG 81 N -3.96 0.66 -2.84 3.15 5.12 -1.25 -5.05 116.66 112.50 3hxl n ARG 81 Ca -0.03 -0.01 -0.31 0.00 -1.93 0.00 0.00 57.85 55.58 3hxl n ARG 81 Cb 0.59 -1.03 -0.03 0.00 -1.16 0.00 0.00 32.46 30.83 3hxl n ARG 81 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hxl s ALA 82 N -2.07 3.32 -0.13 7.54 0.00 -1.12 -4.22 121.76 125.07 3hxl s ALA 82 Ca -0.00 -0.14 0.17 0.00 0.00 0.00 0.00 51.96 51.99 3hxl s ALA 82 Cb 0.01 -2.75 -0.23 0.00 0.00 0.00 0.00 23.12 20.14 3hxl s ALA 82 CO 0.05 0.00 0.42 1.63 0.00 0.00 0.00 175.76 177.86 3hxl n LYS 83 N -1.22 0.66 -3.86 0.00 4.76 -0.24 -4.66 118.16 113.59 3hxl n LYS 83 Ca 0.03 0.08 -0.13 0.00 -2.87 0.00 0.00 58.31 55.42 3hxl n LYS 83 Cb 0.54 -1.64 -0.15 0.00 -1.84 0.00 0.00 35.03 31.94 3hxl n LYS 83 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3hxl s THR 84 N -2.74 0.01 -0.12 -0.18 2.01 -0.77 -1.42 115.64 112.42 3hxl s THR 84 Ca -0.07 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.01 3hxl s THR 84 Cb 0.08 -0.06 -0.00 0.00 0.01 0.00 0.00 72.50 72.53 3hxl s THR 84 CO 0.83 0.04 -0.19 -0.22 -0.69 0.00 0.00 174.62 174.39 3hxl s LEU 85 N 0.36 2.35 -0.46 4.42 2.96 0.04 -0.93 118.68 127.41 3hxl s LEU 85 Ca -0.03 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.28 3hxl s LEU 85 Cb -0.05 -1.50 0.09 0.00 0.50 0.00 0.00 46.19 45.23 3hxl s LEU 85 CO -0.01 0.14 0.35 -0.76 -1.32 0.00 0.00 176.35 174.75 3hxl s LEU 86 N 0.47 5.53 -0.13 -0.68 1.43 0.65 -1.29 118.68 124.66 3hxl s LEU 86 Ca -0.13 -1.54 -0.09 0.00 -1.03 0.00 0.00 54.13 51.34 3hxl s LEU 86 Cb -0.17 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 3hxl s LEU 86 CO 0.05 -0.64 0.16 -0.22 0.23 0.00 0.00 176.35 175.94 3hxl s LEU 87 N 1.51 4.34 -0.14 1.79 2.96 0.93 -4.27 118.68 125.81 3hxl s LEU 87 Ca 0.04 0.44 -0.00 0.00 -0.22 0.00 0.00 54.13 54.39 3hxl s LEU 87 Cb -0.25 -2.12 0.03 0.00 0.50 0.00 0.00 46.19 44.35 3hxl s LEU 87 CO 0.03 0.33 -0.07 -0.47 -1.32 0.00 0.00 176.35 174.85 3hxl s TYR 88 N -0.61 1.64 -0.31 5.38 5.04 -1.26 0.20 117.35 127.43 3hxl s TYR 88 Ca 0.14 -0.94 -0.24 0.00 -2.44 0.00 0.00 57.07 53.59 3hxl s TYR 88 Cb -0.12 -1.30 0.00 0.00 0.35 0.00 0.00 41.96 40.89 3hxl s TYR 88 CO 0.03 -0.57 0.83 0.50 -1.34 0.00 0.00 175.55 175.00 3hxl s ARG 89 N 1.66 3.98 0.50 4.97 3.52 -1.26 -0.84 118.95 131.48 3hxl s ARG 89 Ca 0.03 0.65 0.29 0.00 -0.13 0.00 0.00 55.73 56.57 3hxl s ARG 89 Cb -0.14 -3.73 0.92 0.00 -1.56 0.00 0.00 34.95 30.44 3hxl s ARG 89 CO -0.08 -0.71 1.82 -0.07 -0.81 0.00 0.00 175.30 175.45 3hxl h LEU 90 N 9.54 0.00 -8.54 -0.88 3.38 -1.28 -1.11 115.31 116.42 3hxl h LEU 90 Ca -0.24 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.06 3hxl h LEU 90 Cb 1.09 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.54 3hxl h LEU 90 CO 0.90 0.01 -0.88 0.54 0.09 0.00 0.00 178.44 179.11 3hxl s ASN 91 N -5.93 2.86 0.09 -0.43 4.22 -1.26 -4.87 114.94 109.63 3hxl s ASN 91 Ca 0.04 -0.45 0.18 0.00 -2.14 0.00 0.00 52.86 50.49 3hxl s ASN 91 Cb 0.07 -0.39 -0.11 0.00 1.28 0.00 0.00 41.25 42.10 3hxl s ASN 91 CO 0.60 0.29 0.87 0.00 -2.04 0.00 0.00 177.10 176.82 3hxl n ALA 92 N 2.56 2.04 -0.85 3.54 0.00 -1.26 -4.69 120.51 121.84 3hxl n ALA 92 Ca -0.16 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.80 3hxl n ALA 92 Cb 0.52 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.97 3hxl n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxl n GLY 93 N 1.35 -0.79 3.39 0.00 0.00 -1.25 -3.52 105.19 104.37 3hxl n GLY 93 Ca -0.08 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 3hxl n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hxl s THR 94 N -0.01 2.96 0.08 2.61 2.01 0.96 -4.68 115.64 119.57 3hxl s THR 94 Ca 0.00 -0.71 -0.31 0.00 0.31 0.00 0.00 61.69 60.98 3hxl s THR 94 Cb 0.00 -2.21 -0.06 0.00 0.01 0.00 0.00 72.50 70.24 3hxl s THR 94 CO 0.00 0.55 1.21 -0.54 -0.69 0.00 0.00 174.62 175.14 3hxl s LYS 95 N 0.04 4.44 0.60 4.92 1.02 -1.26 -1.33 119.74 128.16 3hxl s LYS 95 Ca -0.05 1.80 -0.14 0.00 0.02 0.00 0.00 55.97 57.60 3hxl s LYS 95 Cb -0.15 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 3hxl s LYS 95 CO 0.04 -0.24 1.03 0.00 -0.92 0.00 0.00 175.35 175.27 3hxl s ALA 96 N 0.89 2.91 0.20 5.17 0.00 -1.26 -4.42 121.76 125.24 3hxl s ALA 96 Ca 0.58 0.15 -0.23 0.00 0.00 0.00 0.00 51.96 52.46 3hxl s ALA 96 Cb -0.30 -3.15 0.05 0.00 0.00 0.00 0.00 23.12 19.72 3hxl s ALA 96 CO 0.30 -0.68 0.85 0.00 0.00 0.00 0.00 175.76 176.22 3hxl s ALA 97 N -2.79 -1.49 -0.12 0.00 0.00 0.15 -0.94 121.76 116.57 3hxl s ALA 97 Ca 0.59 0.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.28 3hxl s ALA 97 Cb -0.13 0.72 0.07 0.00 0.00 0.00 0.00 23.12 23.79 3hxl s ALA 97 CO 0.43 -1.01 0.67 0.54 0.00 0.00 0.00 175.76 176.38 3hxl s VAL 98 N -3.55 0.00 -0.09 0.00 0.11 -0.59 -0.61 120.40 115.67 3hxl s VAL 98 Ca 0.11 -0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.17 3hxl s VAL 98 Cb -0.03 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3hxl s VAL 98 CO 0.03 -0.01 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.68 3hxl s THR 99 N -0.68 1.87 -0.30 5.04 2.01 -1.26 -1.00 115.64 121.31 3hxl s THR 99 Ca -0.07 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.03 3hxl s THR 99 Cb -0.02 -1.62 0.09 0.00 0.01 0.00 0.00 72.50 70.96 3hxl s THR 99 CO 0.07 0.52 0.05 -0.69 -0.69 0.00 0.00 174.62 173.87 3hxl s VAL 100 N 0.41 1.46 0.00 3.82 1.01 0.41 -5.01 120.40 122.50 3hxl s VAL 100 Ca -0.18 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.16 3hxl s VAL 100 Cb -0.18 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.20 3hxl s VAL 100 CO 0.08 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.27 3hxl n GLY 101 N 4.62 3.30 0.11 4.51 0.00 -1.26 -2.00 105.19 114.47 3hxl n GLY 101 Ca -0.02 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3hxl n GLY 101 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hxl h ASN 102 N 0.00 0.00 -3.37 1.61 2.35 -1.87 -3.47 115.58 110.83 3hxl h ASN 102 Ca 0.00 -0.06 -0.56 0.00 -0.55 0.00 0.00 56.30 55.14 3hxl h ASN 102 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 3hxl h ASN 102 CO 0.00 0.03 0.08 -0.22 -1.65 0.00 0.00 177.43 175.67 3hxl s LEU 103 N -5.12 4.42 -0.07 1.61 2.96 -0.85 -3.91 118.68 117.73 3hxl s LEU 103 Ca 0.01 1.31 0.04 0.00 -0.22 0.00 0.00 54.13 55.27 3hxl s LEU 103 Cb 0.10 -3.09 -0.00 0.00 0.50 0.00 0.00 46.19 43.70 3hxl s LEU 103 CO 0.77 0.04 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.74 3hxl s THR 104 N -0.04 1.75 -0.18 3.68 2.01 0.04 -0.44 115.64 122.46 3hxl s THR 104 Ca 0.35 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.49 3hxl s THR 104 Cb -0.19 -1.51 0.01 0.00 0.01 0.00 0.00 72.50 70.81 3hxl s THR 104 CO 0.20 0.49 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.76 3hxl s VAL 105 N 0.23 2.37 -0.05 3.82 1.01 -0.17 -0.60 120.40 127.01 3hxl s VAL 105 Ca -0.12 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.07 3hxl s VAL 105 Cb -0.15 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 3hxl s VAL 105 CO 0.05 0.52 -0.21 -0.89 0.00 0.00 0.00 175.10 174.57 3hxl s THR 106 N 1.17 1.73 0.52 3.92 2.01 -0.69 -1.54 115.64 122.76 3hxl s THR 106 Ca 0.02 -0.89 -0.21 0.00 0.31 0.00 0.00 61.69 60.91 3hxl s THR 106 Cb -0.14 -1.47 -0.07 0.00 0.01 0.00 0.00 72.50 70.83 3hxl s THR 106 CO -0.08 0.49 1.06 0.00 -0.69 0.00 0.00 174.62 175.40 3hxl n ALA 107 N 3.01 0.47 -0.18 7.40 0.00 -0.12 -0.38 120.51 130.71 3hxl n ALA 107 Ca -0.18 0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 3hxl n ALA 107 Cb 0.52 -2.15 0.06 0.00 0.00 0.00 0.00 19.45 17.88 3hxl n ALA 107 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hxl h LYS 108 N 1.09 0.99 -5.91 0.00 3.64 -1.33 -3.43 116.57 111.62 3hxl h LYS 108 Ca -0.48 -0.32 -0.51 0.00 -1.27 0.00 0.00 60.65 58.07 3hxl h LYS 108 Cb 1.34 -0.09 -0.19 0.00 -0.41 0.00 0.00 32.23 32.88 3hxl h LYS 108 CO 0.54 1.00 -0.79 -1.58 -2.27 0.00 0.00 179.45 176.35 3hxl s TRP 109 N -4.95 1.72 0.62 1.91 0.52 -1.26 -5.05 118.94 112.46 3hxl s TRP 109 Ca -0.11 -0.46 -0.13 0.00 0.02 0.00 0.00 56.10 55.41 3hxl s TRP 109 Cb 0.14 -0.90 -0.03 0.00 -1.15 0.00 0.00 33.47 31.53 3hxl s TRP 109 CO 0.85 0.25 1.04 0.20 0.02 0.00 0.00 176.95 179.31 3hxl s GLY 110 N -2.35 1.89 0.00 0.98 0.00 -1.23 -4.60 107.32 102.01 3hxl s GLY 110 Ca 0.11 0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.02 3hxl s GLY 110 CO 0.05 0.50 0.00 0.61 0.00 0.00 0.00 173.10 174.26 3hxl n GLY 111 N -1.64 3.81 0.25 0.20 0.00 -0.44 -4.15 105.19 103.22 3hxl n GLY 111 Ca 0.08 -1.64 0.17 0.00 0.00 0.00 0.00 46.02 44.63 3hxl n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxl h ALA 112 N 0.00 1.00 0.00 4.61 0.00 -1.69 -2.51 119.26 120.67 3hxl h ALA 112 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hxl h ALA 112 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hxl h ALA 112 CO 0.00 0.00 -0.09 -0.09 0.00 0.00 0.00 179.25 179.07 3hxl h ARG 113 N 0.00 0.00 0.00 0.00 9.65 -1.84 -1.57 114.38 120.61 3hxl h ARG 113 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 3hxl h ARG 113 Cb 0.41 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 3hxl h ARG 113 CO 0.00 0.09 -0.17 0.78 2.80 0.00 0.00 179.97 183.47 3hxl h GLY 114 N 0.78 0.00 1.62 2.80 0.00 -1.68 -2.11 103.07 104.48 3hxl h GLY 114 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hxl h GLY 114 CO 0.01 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.25 3hxl n ASN 115 N -3.88 0.00 -0.87 0.19 3.02 -0.59 -2.29 115.26 110.83 3hxl n ASN 115 Ca -0.02 0.04 0.10 0.00 -0.03 0.00 0.00 54.58 54.67 3hxl n ASN 115 Cb 0.26 -0.31 0.27 0.00 -0.61 0.00 0.00 39.78 39.39 3hxl n ASN 115 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hxl n ASP 116 N -1.31 2.58 -4.88 6.41 8.00 -0.79 -4.69 116.55 121.87 3hxl n ASP 116 Ca 0.09 -1.91 -0.37 0.00 0.71 0.00 0.00 54.79 53.32 3hxl n ASP 116 Cb 0.18 -0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 40.98 3hxl n ASP 116 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hxl s ILE 117 N -1.52 5.49 -0.02 0.53 1.01 -0.97 -1.26 121.20 124.46 3hxl s ILE 117 Ca 0.35 0.24 0.01 0.00 0.00 0.00 0.00 60.65 61.24 3hxl s ILE 117 Cb 0.19 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 39.26 3hxl s ILE 117 CO 0.26 0.62 -0.03 -0.89 0.00 0.00 0.00 174.94 174.90 3hxl s THR 118 N -1.02 0.38 -0.02 2.92 2.01 0.78 -0.89 115.64 119.80 3hxl s THR 118 Ca 0.15 -0.10 -0.15 0.00 0.31 0.00 0.00 61.69 61.90 3hxl s THR 118 Cb -0.12 -0.39 -0.06 0.00 0.01 0.00 0.00 72.50 71.95 3hxl s THR 118 CO 0.04 0.16 0.42 -0.22 -0.69 0.00 0.00 174.62 174.33 3hxl s LEU 119 N 0.51 4.44 -0.08 4.42 2.96 -0.47 -0.81 118.68 129.65 3hxl s LEU 119 Ca -0.06 0.95 -0.00 0.00 -0.22 0.00 0.00 54.13 54.80 3hxl s LEU 119 Cb -0.09 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 44.01 3hxl s LEU 119 CO -0.00 0.27 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.56 3hxl s VAL 120 N -0.79 0.69 -0.21 1.68 1.01 -0.69 -0.66 120.40 121.44 3hxl s VAL 120 Ca 0.24 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 3hxl s VAL 120 Cb -0.17 -0.75 0.05 0.00 0.00 0.00 0.00 36.38 35.52 3hxl s VAL 120 CO 0.13 0.30 -0.05 -0.63 0.00 0.00 0.00 175.10 174.85 3hxl s ILE 121 N 1.52 1.31 -0.00 2.22 1.01 -0.80 -0.42 121.20 126.04 3hxl s ILE 121 Ca -0.01 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.73 3hxl s ILE 121 Cb -0.13 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 3hxl s ILE 121 CO -0.04 -0.02 -0.12 -1.10 0.00 0.00 0.00 174.94 173.66 3hxl s GLN 122 N 1.52 0.95 0.31 2.79 -1.52 -0.98 -0.42 119.66 122.30 3hxl s GLN 122 Ca -0.03 -0.48 -0.30 0.00 -1.95 0.00 0.00 55.36 52.60 3hxl s GLN 122 Cb -0.17 -0.93 -0.12 0.00 -0.22 0.00 0.00 33.01 31.57 3hxl s GLN 122 CO -0.07 0.25 1.50 -1.91 -0.25 0.00 0.00 175.29 174.80 3hxl n GLU 123 N 2.63 2.48 -2.09 2.91 2.13 -1.26 0.35 120.64 127.80 3hxl n GLU 123 Ca -0.15 0.88 -0.41 0.00 0.66 0.00 0.00 57.16 58.14 3hxl n GLU 123 Cb 0.56 -2.60 -0.02 0.00 0.27 0.00 0.00 31.44 29.64 3hxl n GLU 123 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3hxl s ASN 124 N 0.22 6.74 0.07 4.31 3.84 0.38 -4.71 114.94 125.80 3hxl s ASN 124 Ca 0.62 2.64 -0.17 0.00 0.21 0.00 0.00 52.86 56.16 3hxl s ASN 124 Cb -0.53 -2.63 -0.11 0.00 -0.55 0.00 0.00 41.25 37.43 3hxl s ASN 124 CO 0.54 -0.60 1.40 0.40 -2.79 0.00 0.00 177.10 176.04 3hxl h ILE 125 N 3.32 1.32 -0.32 -5.21 1.08 -1.90 -3.26 117.51 112.54 3hxl h ILE 125 Ca -0.47 -1.36 -0.11 0.00 -0.39 0.00 0.00 64.86 62.52 3hxl h ILE 125 Cb 1.22 1.68 -0.01 0.00 -3.07 0.00 0.00 36.82 36.65 3hxl h ILE 125 CO 0.72 0.42 -0.24 0.44 -0.69 0.00 0.00 178.15 178.80 3hxl h ASP 126 N 0.25 0.76 -3.33 1.72 5.19 -1.98 -3.41 116.42 115.63 3hxl h ASP 126 Ca 0.04 -0.44 -0.59 0.00 -0.62 0.00 0.00 57.03 55.41 3hxl h ASP 126 Cb 0.76 -0.21 -0.40 0.00 0.18 0.00 0.00 39.33 39.66 3hxl h ASP 126 CO 0.05 1.04 -0.75 -0.62 -3.12 0.00 0.00 179.24 175.84 3hxl s ASP 127 N -6.51 4.02 0.00 6.45 3.68 -1.25 -4.99 116.67 118.08 3hxl s ASP 127 Ca -0.12 -1.58 0.01 0.00 2.13 0.00 0.00 52.55 52.98 3hxl s ASP 127 Cb 0.09 -1.01 0.04 0.00 -1.45 0.00 0.00 42.92 40.58 3hxl s ASP 127 CO 0.83 -0.37 0.93 -1.84 0.13 0.00 0.00 175.17 174.84 3hxl n GLU 128 N 4.74 0.01 -0.10 4.34 0.00 -1.23 -1.13 120.64 127.27 3hxl n GLU 128 Ca -0.03 0.39 0.11 0.00 0.00 0.00 0.00 57.16 57.63 3hxl n GLU 128 Cb 0.43 -1.50 0.34 0.00 0.00 0.00 0.00 31.44 30.71 3hxl n GLU 128 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3hxl n THR 129 N -1.40 0.25 -4.39 3.84 -2.24 -1.26 -4.79 114.28 104.29 3hxl n THR 129 Ca 0.00 -0.41 -0.20 0.00 -2.27 0.00 0.00 64.05 61.17 3hxl n THR 129 Cb 0.01 0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 3hxl n THR 129 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hxl s LYS 130 N -1.75 1.45 0.10 -0.78 1.02 -0.28 -4.70 119.74 114.80 3hxl s LYS 130 Ca 0.33 -1.69 0.08 0.00 0.02 0.00 0.00 55.97 54.71 3hxl s LYS 130 Cb 0.18 -1.18 -0.03 0.00 -0.52 0.00 0.00 37.83 36.28 3hxl s LYS 130 CO 0.27 0.13 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.55 3hxl s PHE 131 N -2.96 1.87 -0.43 3.18 0.40 0.44 -0.47 117.98 120.02 3hxl s PHE 131 Ca 0.26 -0.41 -0.12 0.00 -0.60 0.00 0.00 56.93 56.07 3hxl s PHE 131 Cb 0.01 -1.04 0.07 0.00 0.51 0.00 0.00 43.02 42.57 3hxl s PHE 131 CO 0.10 0.20 0.29 -0.51 0.70 0.00 0.00 175.22 176.00 3hxl s ASP 132 N -1.80 5.83 -0.40 1.36 1.01 0.15 -1.53 116.67 121.28 3hxl s ASP 132 Ca 0.08 -1.33 -0.16 0.00 0.71 0.00 0.00 52.55 51.84 3hxl s ASP 132 Cb -0.10 -2.06 0.01 0.00 1.01 0.00 0.00 42.92 41.79 3hxl s ASP 132 CO 0.04 -0.54 0.39 -0.69 0.21 0.00 0.00 175.17 174.58 3hxl s VAL 133 N 1.52 5.15 0.02 -1.27 1.01 0.56 -2.31 120.40 125.08 3hxl s VAL 133 Ca 0.03 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.71 3hxl s VAL 133 Cb -0.23 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3hxl s VAL 133 CO 0.05 -0.33 -0.09 -0.44 0.00 0.00 0.00 175.10 174.28 3hxl s SER 134 N 1.76 4.42 -0.24 3.32 0.01 0.44 -0.99 113.70 122.43 3hxl s SER 134 Ca 0.10 -0.23 -0.05 0.00 1.31 0.00 0.00 55.95 57.08 3hxl s SER 134 Cb -0.17 -0.95 -0.01 0.00 0.21 0.00 0.00 66.02 65.09 3hxl s SER 134 CO 0.12 0.27 0.00 -0.89 0.41 0.00 0.00 173.24 173.15 3hxl s THR 135 N -1.00 3.67 -0.04 1.44 2.01 -0.34 -1.70 115.64 119.68 3hxl s THR 135 Ca 0.17 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.71 3hxl s THR 135 Cb -0.11 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 3hxl s THR 135 CO 0.08 0.34 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.57 3hxl s LEU 136 N 1.51 3.43 -0.16 4.42 1.02 0.01 -1.42 118.68 127.48 3hxl s LEU 136 Ca 0.05 0.03 -0.01 0.00 0.02 0.00 0.00 54.13 54.22 3hxl s LEU 136 Cb -0.15 -1.86 0.04 0.00 0.02 0.00 0.00 46.19 44.24 3hxl s LEU 136 CO -0.01 0.33 -0.05 -0.69 0.02 0.00 0.00 176.35 175.96 3hxl s VAL 137 N -0.95 1.05 -1.47 -1.59 1.01 0.47 -0.15 120.40 118.76 3hxl s VAL 137 Ca 0.16 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 3hxl s VAL 137 Cb -0.11 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.06 3hxl s VAL 137 CO 0.06 0.12 0.81 0.47 0.00 0.00 0.00 175.10 176.56 3hxl n ASP 138 N 4.90 -5.79 0.00 3.32 8.00 -0.39 -1.51 116.55 125.08 3hxl n ASP 138 Ca -0.12 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 54.95 3hxl n ASP 138 Cb 0.48 -4.64 0.00 0.00 -0.02 0.00 0.00 41.12 36.94 3hxl n ASP 138 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hxl n GLY 139 N -1.65 2.73 3.73 0.44 0.00 -1.26 -5.01 105.19 104.16 3hxl n GLY 139 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 3hxl n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxl s ALA 140 N -2.33 3.52 -0.30 4.61 0.00 -0.57 -5.00 121.76 121.69 3hxl s ALA 140 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.38 3hxl s ALA 140 Cb 0.00 -2.54 0.01 0.00 0.00 0.00 0.00 23.12 20.59 3hxl s ALA 140 CO 0.00 0.05 1.18 -2.00 0.00 0.00 0.00 175.76 174.99 3hxl s GLU 141 N 0.52 4.02 0.00 0.00 2.12 -1.26 -0.40 118.70 123.69 3hxl s GLU 141 Ca 0.22 1.18 0.14 0.00 0.36 0.00 0.00 54.97 56.87 3hxl s GLU 141 Cb -0.14 -3.80 -0.06 0.00 0.26 0.00 0.00 34.13 30.39 3hxl s GLU 141 CO 0.08 -0.98 0.71 1.28 -0.54 0.00 0.00 175.26 175.81 3hxl n LEU 142 N 7.15 1.17 -3.64 2.70 4.77 -0.51 -4.99 117.00 123.65 3hxl n LEU 142 Ca 0.13 -0.66 -0.15 0.00 -0.03 0.00 0.00 56.01 55.30 3hxl n LEU 142 Cb 0.47 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.48 3hxl n LEU 142 CO 0.61 0.24 0.29 -0.62 -1.33 0.00 0.00 177.39 176.57 3hxl s ASP 143 N -1.95 -0.56 -0.13 -1.43 2.15 -1.21 -5.00 116.67 108.54 3hxl s ASP 143 Ca 0.09 0.86 -0.05 0.00 0.43 0.00 0.00 52.55 53.87 3hxl s ASP 143 Cb 0.11 0.85 0.06 0.00 -0.30 0.00 0.00 42.92 43.64 3hxl s ASP 143 CO 0.44 -0.37 0.28 -0.75 -0.17 0.00 0.00 175.17 174.60 3hxl s LYS 144 N -0.43 0.20 -0.07 4.34 2.20 -1.26 -1.20 119.74 123.51 3hxl s LYS 144 Ca -0.06 0.71 0.02 0.00 -0.36 0.00 0.00 55.97 56.29 3hxl s LYS 144 Cb -0.03 -0.03 0.01 0.00 -1.51 0.00 0.00 37.83 36.28 3hxl s LYS 144 CO 0.04 -0.24 -0.14 -0.65 -0.36 0.00 0.00 175.35 174.00 3hxl s GLN 145 N 2.02 1.94 -0.34 4.03 -0.21 -0.16 -4.97 119.66 121.96 3hxl s GLN 145 Ca -0.03 -0.49 -0.12 0.00 0.02 0.00 0.00 55.36 54.74 3hxl s GLN 145 Cb -0.11 -1.58 -0.01 0.00 1.00 0.00 0.00 33.01 32.31 3hxl s GLN 145 CO -0.09 0.04 0.23 0.99 -2.12 0.00 0.00 175.29 174.34 3hxl s THR 146 N 0.65 5.13 0.28 -0.19 2.01 -1.26 -0.33 115.64 121.94 3hxl s THR 146 Ca -0.14 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.55 3hxl s THR 146 Cb -0.16 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 3hxl s THR 146 CO 0.04 -0.03 0.12 0.68 -0.69 0.00 0.00 174.62 174.74 3hxl s VAL 147 N 1.69 0.46 -0.13 3.82 -7.23 -0.58 -4.93 120.40 113.50 3hxl s VAL 147 Ca 0.06 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 3hxl s VAL 147 Cb -0.18 -2.58 -0.24 0.00 0.56 0.00 0.00 36.38 33.95 3hxl s VAL 147 CO 0.10 0.00 0.33 -1.20 -0.31 0.00 0.00 175.10 174.01 3hxl n SER 148 N -0.68 1.69 -1.93 4.85 7.64 -1.26 -0.42 113.62 123.51 3hxl n SER 148 Ca 0.00 0.19 -0.07 0.00 1.01 0.00 0.00 58.87 60.01 3hxl n SER 148 Cb 0.66 -0.50 -0.01 0.00 -1.01 0.00 0.00 64.21 63.34 3hxl n SER 148 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3hxl n ASP 149 N -3.31 -0.67 -0.20 6.43 5.68 -1.26 -4.71 116.55 118.51 3hxl n ASP 149 Ca -0.31 -1.88 -0.03 0.00 -0.50 0.00 0.00 54.79 52.07 3hxl n ASP 149 Cb 1.05 1.24 0.17 0.00 -1.14 0.00 0.00 41.12 42.44 3hxl n ASP 149 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 3hxl h ILE 150 N 1.48 1.23 -0.90 2.12 2.04 -1.86 -2.78 117.51 118.83 3hxl h ILE 150 Ca -0.13 -0.71 0.10 0.00 1.00 0.00 0.00 64.86 65.12 3hxl h ILE 150 Cb 0.56 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 3hxl h ILE 150 CO 0.18 0.29 0.58 0.00 0.00 0.00 0.00 178.15 179.19 3hxl h ALA 151 N 1.34 1.63 0.00 1.87 0.00 -1.89 -0.94 119.26 121.27 3hxl h ALA 151 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hxl h ALA 151 Cb 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hxl h ALA 151 CO -0.02 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.83 3hxl n GLY 152 N -1.40 -0.99 3.78 0.00 0.00 -1.05 -4.79 105.19 100.74 3hxl n GLY 152 Ca 0.15 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3hxl n GLY 152 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hxl s LEU 153 N -3.23 4.12 -0.01 0.99 1.43 -0.36 -4.94 118.68 116.69 3hxl s LEU 153 Ca 0.06 2.05 0.05 0.00 -1.03 0.00 0.00 54.13 55.26 3hxl s LEU 153 Cb 0.09 -4.20 -0.01 0.00 0.03 0.00 0.00 46.19 42.09 3hxl s LEU 153 CO 0.26 -0.53 -0.17 0.00 0.23 0.00 0.00 176.35 176.14 3hxl s ALA 154 N -1.66 1.43 0.72 4.21 0.00 -1.26 -5.02 121.76 120.18 3hxl s ALA 154 Ca 0.58 -0.74 -0.16 0.00 0.00 0.00 0.00 51.96 51.65 3hxl s ALA 154 Cb -0.22 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.56 3hxl s ALA 154 CO 0.28 0.35 1.19 0.00 0.00 0.00 0.00 175.76 177.57 3hxl n ALA 155 N 2.66 0.40 -3.83 0.00 0.00 -1.26 -4.89 120.51 113.59 3hxl n ALA 155 Ca -0.15 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3hxl n ALA 155 Cb 0.54 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3hxl n ALA 155 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hxl n ASN 156 N -2.35 1.70 0.00 0.00 0.23 -0.94 -5.02 115.26 108.87 3hxl n ASN 156 Ca 0.14 -0.98 0.11 0.00 -0.53 0.00 0.00 54.58 53.32 3hxl n ASN 156 Cb 0.49 0.00 0.57 0.00 -2.08 0.00 0.00 39.78 38.76 3hxl n ASN 156 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3hxl n ASP 157 N -1.28 0.00 -0.03 0.53 8.00 -1.26 -3.89 116.55 118.62 3hxl n ASP 157 Ca 0.00 -0.21 -0.03 0.00 0.71 0.00 0.00 54.79 55.26 3hxl n ASP 157 Cb 0.00 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 3hxl n ASP 157 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3hxl n TRP 158 N -1.21 0.00 -4.15 1.24 7.02 -1.26 -4.87 117.44 114.22 3hxl n TRP 158 Ca 0.12 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.50 3hxl n TRP 158 Cb 0.14 -0.22 -0.10 0.00 -2.42 0.00 0.00 31.31 28.71 3hxl n TRP 158 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 3hxl s VAL 159 N -2.11 0.09 -0.10 -0.99 -7.23 -1.25 -0.88 120.40 107.92 3hxl s VAL 159 Ca -0.06 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 3hxl s VAL 159 Cb 0.02 -2.08 -0.01 0.00 0.56 0.00 0.00 36.38 34.87 3hxl s VAL 159 CO 0.15 -0.41 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.69 3hxl s ILE 160 N -4.06 2.39 -0.07 -0.62 -1.09 0.49 -2.22 121.20 116.02 3hxl s ILE 160 Ca 0.25 -0.91 -0.13 0.00 -2.23 0.00 0.00 60.65 57.63 3hxl s ILE 160 Cb 0.07 -1.93 -0.05 0.00 -1.58 0.00 0.00 42.46 38.97 3hxl s ILE 160 CO 0.03 0.55 0.33 -0.36 -1.23 0.00 0.00 174.94 174.26 3hxl s PHE 161 N 0.19 3.63 0.06 3.97 0.08 -1.26 -1.71 117.98 122.94 3hxl s PHE 161 Ca -0.12 0.80 -0.00 0.00 0.12 0.00 0.00 56.93 57.72 3hxl s PHE 161 Cb -0.16 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.00 3hxl s PHE 161 CO 0.07 0.54 -0.04 -1.54 -0.10 0.00 0.00 175.22 174.15 3hxl s SER 162 N -0.61 0.63 0.00 1.36 1.04 0.23 -4.97 113.70 111.38 3hxl s SER 162 Ca 0.20 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.66 3hxl s SER 162 Cb -0.15 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.14 3hxl s SER 162 CO 0.09 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.37 3hxl n GLY 163 N 0.17 0.27 3.26 7.32 0.00 -1.26 -0.78 105.19 114.17 3hxl n GLY 163 Ca -0.14 -2.30 -0.12 0.00 0.00 0.00 0.00 46.02 43.46 3hxl n GLY 163 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hxl s THR 164 N -0.65 0.08 0.00 2.61 -1.32 -1.25 -4.86 115.64 110.24 3hxl s THR 164 Ca 0.00 -0.63 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 3hxl s THR 164 Cb 0.00 -0.93 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 3hxl s THR 164 CO 0.00 -0.35 0.00 0.61 -2.21 0.00 0.00 174.62 172.67 3hxl n GLY 165 N 0.59 -0.49 3.88 6.08 0.00 -1.26 -4.80 105.19 109.19 3hxl n GLY 165 Ca -0.19 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 3hxl n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxl s ALA 166 N -2.00 3.42 0.45 4.61 0.00 -1.26 -3.01 121.76 123.97 3hxl s ALA 166 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.62 3hxl s ALA 166 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 3hxl s ALA 166 CO 0.00 0.08 0.76 -0.51 0.00 0.00 0.00 175.76 176.09 3hxl s LEU 167 N -3.71 3.70 -0.01 0.00 1.43 -1.26 -4.42 118.68 114.41 3hxl s LEU 167 Ca 0.49 0.94 0.04 0.00 -1.03 0.00 0.00 54.13 54.58 3hxl s LEU 167 Cb -0.10 -3.87 -0.01 0.00 0.03 0.00 0.00 46.19 42.23 3hxl s LEU 167 CO 0.30 -0.51 -0.14 -0.89 0.23 0.00 0.00 176.35 175.34 3hxl s THR 168 N -2.62 1.07 0.84 5.49 2.01 -1.26 -5.04 115.64 116.12 3hxl s THR 168 Ca 0.48 -0.62 -0.11 0.00 0.31 0.00 0.00 61.69 61.75 3hxl s THR 168 Cb -0.10 -0.90 0.09 0.00 0.01 0.00 0.00 72.50 71.60 3hxl s THR 168 CO 0.41 0.27 1.09 -1.61 -0.69 0.00 0.00 174.62 174.10 3hxl s GLU 169 N -0.40 1.73 -0.29 4.92 2.02 -1.26 -4.83 118.70 120.60 3hxl s GLU 169 Ca 0.05 1.06 -0.16 0.00 0.02 0.00 0.00 54.97 55.93 3hxl s GLU 169 Cb -0.05 -1.85 0.12 0.00 0.10 0.00 0.00 34.13 32.45 3hxl s GLU 169 CO -0.00 -1.98 0.88 -0.08 0.02 0.00 0.00 175.26 174.10 3hxl s THR 170 N -2.89 0.00 0.17 3.63 -1.32 0.43 -4.92 115.64 110.75 3hxl s THR 170 Ca 0.63 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.26 3hxl s THR 170 Cb -0.18 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.87 3hxl s THR 170 CO 0.57 0.00 1.64 0.00 -2.21 0.00 0.00 174.62 174.62 3hxl h ALA 171 N 6.30 0.92 -0.03 11.08 0.00 -1.88 -2.12 119.26 133.53 3hxl h ALA 171 Ca -0.29 -0.45 0.28 0.00 0.00 0.00 0.00 54.91 54.45 3hxl h ALA 171 Cb 1.20 -0.08 -0.25 0.00 0.00 0.00 0.00 17.79 18.66 3hxl h ALA 171 CO 0.18 0.62 0.48 0.20 0.00 0.00 0.00 179.25 180.73 3hxl s GLY 172 N -4.42 0.19 -0.49 0.00 0.00 -1.26 -4.83 107.32 96.51 3hxl s GLY 172 Ca 0.00 3.53 0.03 0.00 0.00 0.00 0.00 44.72 48.28 3hxl s GLY 172 CO 0.72 3.62 0.29 0.00 0.00 0.00 0.00 173.10 177.74 3hxl s ALA 173 N 2.38 2.54 0.37 3.20 0.00 0.17 -4.96 121.76 125.46 3hxl s ALA 173 Ca -0.04 -2.89 -0.28 0.00 0.00 0.00 0.00 51.96 48.76 3hxl s ALA 173 Cb -0.03 -1.95 -0.10 0.00 0.00 0.00 0.00 23.12 21.04 3hxl s ALA 173 CO -0.12 -2.05 1.35 -2.14 0.00 0.00 0.00 175.76 172.79 3hxl s PRO 174 N -0.06 4.16 0.42 0.00 0.02 -1.26 -1.37 135.00 136.91 3hxl s PRO 174 Ca 0.20 2.28 -0.22 0.00 0.02 0.00 0.00 61.00 63.28 3hxl s PRO 174 Cb -0.19 -2.94 -0.09 0.00 0.02 0.00 0.00 34.50 31.30 3hxl s PRO 174 CO -0.04 -0.38 1.01 -0.51 -0.33 0.00 0.00 177.00 176.75 3hxl s LEU 175 N -2.09 4.03 0.31 -5.54 1.02 -0.07 -4.74 118.68 111.61 3hxl s LEU 175 Ca 0.53 1.91 0.06 0.00 0.02 0.00 0.00 54.13 56.65 3hxl s LEU 175 Cb -0.41 -4.35 -0.03 0.00 0.02 0.00 0.00 46.19 41.42 3hxl s LEU 175 CO 0.54 -0.51 0.26 0.27 0.02 0.00 0.00 176.35 176.93 3hxl s ILE 176 N -1.86 0.00 -0.00 -0.59 -0.00 0.22 -4.40 121.20 114.56 3hxl s ILE 176 Ca 0.61 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 59.26 3hxl s ILE 176 Cb -0.17 -2.50 0.00 0.00 -0.00 0.00 0.00 42.46 39.79 3hxl s ILE 176 CO 0.22 0.00 0.00 0.59 -0.00 0.00 0.00 174.94 175.75 3hxl n ASN 177 N -1.38 -3.46 -4.83 4.36 3.02 -1.26 -0.67 115.26 111.05 3hxl n ASN 177 Ca 0.07 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.29 3hxl n ASN 177 Cb 0.63 -0.96 -0.06 0.00 -0.61 0.00 0.00 39.78 38.77 3hxl n ASN 177 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hxl s GLY 178 N -2.01 2.35 -0.07 7.41 0.00 -1.26 -4.57 107.32 109.17 3hxl s GLY 178 Ca 0.00 0.33 -0.31 0.00 0.00 0.00 0.00 44.72 44.74 3hxl s GLY 178 CO 0.00 0.60 0.98 -1.35 0.00 0.00 0.00 173.10 173.33 3hxl s SER 179 N -2.29 -0.31 0.14 1.64 1.04 -0.86 -4.48 113.70 108.58 3hxl s SER 179 Ca 0.61 0.04 0.15 0.00 0.48 0.00 0.00 55.95 57.23 3hxl s SER 179 Cb -0.09 0.31 -0.07 0.00 0.10 0.00 0.00 66.02 66.27 3hxl s SER 179 CO 0.16 -0.49 1.06 0.44 0.98 0.00 0.00 173.24 175.39 3hxl h ASP 180 N 2.05 0.00 -1.06 7.02 3.32 -1.87 0.28 116.42 126.17 3hxl h ASP 180 Ca -0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3hxl h ASP 180 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3hxl h ASP 180 CO 0.29 0.59 0.00 0.61 -1.72 0.00 0.00 179.24 179.00 3hxl n GLY 181 N 1.34 -0.93 3.45 2.75 0.00 -1.26 -3.81 105.19 106.73 3hxl n GLY 181 Ca -0.05 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 3hxl n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxl s ALA 182 N -1.41 2.71 0.15 4.61 0.00 -1.26 -5.05 121.76 121.51 3hxl s ALA 182 Ca 0.00 -0.92 -0.13 0.00 0.00 0.00 0.00 51.96 50.91 3hxl s ALA 182 Cb 0.00 -1.13 -0.07 0.00 0.00 0.00 0.00 23.12 21.92 3hxl s ALA 182 CO 0.00 0.42 0.53 0.54 0.00 0.00 0.00 175.76 177.24 3hxl s VAL 183 N -0.25 4.91 0.00 0.00 0.11 -1.26 -5.05 120.40 118.85 3hxl s VAL 183 Ca 0.02 0.71 -0.05 0.00 -2.93 0.00 0.00 61.98 59.73 3hxl s VAL 183 Cb -0.13 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 3hxl s VAL 183 CO 0.03 0.20 0.23 0.28 -3.33 0.00 0.00 175.10 172.50 3hxl s THR 184 N -1.51 5.36 0.60 5.04 -1.32 -1.26 -4.97 115.64 117.58 3hxl s THR 184 Ca 0.39 0.02 0.42 0.00 -1.21 0.00 0.00 61.69 61.30 3hxl s THR 184 Cb -0.14 -3.55 0.42 0.00 -1.51 0.00 0.00 72.50 67.72 3hxl s THR 184 CO 0.19 0.34 2.28 0.78 -2.21 0.00 0.00 174.62 176.01 3hxl h ASN 185 N 3.90 0.00 0.61 8.08 -0.26 -2.01 0.17 115.58 126.06 3hxl h ASN 185 Ca -0.50 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.20 3hxl h ASN 185 Cb 1.19 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.45 3hxl h ASN 185 CO 0.67 0.00 -0.23 -0.61 -1.06 0.00 0.00 177.43 176.21 3hxl h GLN 186 N 0.00 0.00 -0.11 0.81 5.75 -2.01 -2.09 115.11 117.47 3hxl h GLN 186 Ca 0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3hxl h GLN 186 Cb 0.06 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 3hxl h GLN 186 CO 0.00 0.23 -0.05 0.00 -2.65 0.00 0.00 178.83 176.36 3hxl h ALA 187 N 1.77 1.72 0.00 3.38 0.00 -1.00 -0.43 119.26 124.69 3hxl h ALA 187 Ca -0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3hxl h ALA 187 Cb 0.59 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3hxl h ALA 187 CO 0.03 0.22 -0.22 1.88 0.00 0.00 0.00 179.25 181.15 3hxl h TYR 188 N 0.15 0.00 -0.10 0.00 -1.99 -1.50 -1.99 116.97 111.55 3hxl h TYR 188 Ca 0.04 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.53 3hxl h TYR 188 Cb 0.20 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.94 3hxl h TYR 188 CO 0.00 0.22 -0.86 0.82 -0.00 0.00 0.00 178.16 178.35 3hxl h ILE 189 N 0.00 1.29 -0.62 -2.88 1.08 -1.12 -2.11 117.51 113.15 3hxl h ILE 189 Ca -0.00 -2.09 -0.04 0.00 -0.39 0.00 0.00 64.86 62.33 3hxl h ILE 189 Cb 0.83 2.13 -0.03 0.00 -3.07 0.00 0.00 36.82 36.67 3hxl h ILE 189 CO 0.03 0.65 0.21 0.44 -0.69 0.00 0.00 178.15 178.80 3hxl h ASP 190 N 0.46 0.88 0.51 1.72 3.32 -1.16 -2.29 116.42 119.87 3hxl h ASP 190 Ca -0.07 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 3hxl h ASP 190 Cb 1.49 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 3hxl h ASP 190 CO 0.17 0.84 -0.43 0.22 -1.72 0.00 0.00 179.24 178.32 3hxl h TYR 191 N 0.88 -1.16 -0.99 4.55 3.20 -1.28 -1.61 116.97 120.55 3hxl h TYR 191 Ca 0.20 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.24 3hxl h TYR 191 Cb 0.26 0.44 -0.10 0.00 1.54 0.00 0.00 36.73 38.87 3hxl h TYR 191 CO 0.02 -0.60 0.61 -0.07 -1.64 0.00 0.00 178.16 176.47 3hxl h LEU 192 N -0.93 0.82 -0.58 2.82 3.38 -1.28 0.12 115.31 119.65 3hxl h LEU 192 Ca -0.06 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3hxl h LEU 192 Cb 0.80 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3hxl h LEU 192 CO -0.02 0.34 0.12 0.00 0.09 0.00 0.00 178.44 178.98 3hxl h ALA 193 N 1.60 0.76 -0.31 1.53 0.00 -1.14 -1.68 119.26 120.03 3hxl h ALA 193 Ca 0.54 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 3hxl h ALA 193 Cb 0.75 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hxl h ALA 193 CO -0.34 0.48 -0.33 0.00 0.00 0.00 0.00 179.25 179.06 3hxl h ALA 194 N 1.02 0.46 -0.07 0.00 0.00 -0.07 -3.19 119.26 117.41 3hxl h ALA 194 Ca 0.18 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3hxl h ALA 194 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3hxl h ALA 194 CO 0.01 0.51 -0.46 -0.24 0.00 0.00 0.00 179.25 179.07 3hxl h VAL 195 N 0.54 1.33 -0.16 0.00 3.04 -0.80 -2.99 116.25 117.21 3hxl h VAL 195 Ca 0.05 -1.63 0.05 0.00 -1.01 0.00 0.00 66.70 64.16 3hxl h VAL 195 Cb 0.91 1.80 -0.01 0.00 -2.01 0.00 0.00 31.29 31.98 3hxl h VAL 195 CO 0.08 0.48 0.22 -0.08 -1.01 0.00 0.00 177.57 177.26 3hxl h GLU 196 N 0.13 0.00 0.00 4.17 4.81 -1.29 0.12 114.58 122.53 3hxl h GLU 196 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3hxl h GLU 196 Cb 0.87 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.25 3hxl h GLU 196 CO 0.07 0.00 -0.42 -0.89 -0.73 0.00 0.00 179.01 177.04 3hxl n ILE 197 N -3.62 0.35 -3.08 2.32 5.41 -1.13 -4.89 119.36 114.72 3hxl n ILE 197 Ca 0.01 -0.23 -0.24 0.00 1.00 0.00 0.00 62.75 63.30 3hxl n ILE 197 Cb 0.33 -0.22 0.00 0.00 -0.71 0.00 0.00 39.64 39.04 3hxl n ILE 197 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3hxl s PHE 198 N -3.12 3.36 -0.18 1.39 0.40 0.42 -5.07 117.98 115.18 3hxl s PHE 198 Ca 0.08 0.34 -0.13 0.00 -0.60 0.00 0.00 56.93 56.62 3hxl s PHE 198 Cb 0.14 -2.17 -0.05 0.00 0.51 0.00 0.00 43.02 41.46 3hxl s PHE 198 CO 0.68 -0.18 0.26 -0.51 0.70 0.00 0.00 175.22 176.17 3hxl s ASP 199 N -4.14 6.37 0.28 1.36 1.01 -1.26 -5.02 116.67 115.26 3hxl s ASP 199 Ca 0.45 0.43 -0.17 0.00 0.71 0.00 0.00 52.55 53.98 3hxl s ASP 199 Cb -0.10 -2.16 0.01 0.00 1.01 0.00 0.00 42.92 41.68 3hxl s ASP 199 CO 0.38 0.09 0.62 0.72 0.21 0.00 0.00 175.17 177.20 3hxl s PHE 200 N 0.57 0.10 -0.10 4.23 -0.12 -1.26 -4.99 117.98 116.41 3hxl s PHE 200 Ca 0.15 -0.54 -0.03 0.00 -0.05 0.00 0.00 56.93 56.46 3hxl s PHE 200 Cb -0.13 0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 42.70 3hxl s PHE 200 CO 0.03 -1.17 -0.11 0.09 -0.05 0.00 0.00 175.22 174.01 3hxl n ASN 201 N -0.56 1.85 -4.09 1.98 3.02 -0.25 -4.84 115.26 112.38 3hxl n ASN 201 Ca -0.03 0.05 -0.11 0.00 -0.03 0.00 0.00 54.58 54.45 3hxl n ASN 201 Cb 0.60 -0.24 -0.11 0.00 -0.61 0.00 0.00 39.78 39.43 3hxl n ASN 201 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3hxl s THR 202 N -2.19 0.52 -0.01 3.41 -4.23 -1.05 -1.41 115.64 110.68 3hxl s THR 202 Ca -0.14 -1.37 0.06 0.00 -1.18 0.00 0.00 61.69 59.06 3hxl s THR 202 Cb 0.05 -0.96 -0.02 0.00 1.34 0.00 0.00 72.50 72.91 3hxl s THR 202 CO 0.20 -0.59 -0.20 -0.63 -0.54 0.00 0.00 174.62 172.87 3hxl s ILE 203 N -2.25 1.54 -0.08 2.99 1.01 0.23 -0.92 121.20 123.73 3hxl s ILE 203 Ca -0.03 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.79 3hxl s ILE 203 Cb -0.04 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 3hxl s ILE 203 CO -0.02 0.43 -0.11 0.00 0.00 0.00 0.00 174.94 175.24 3hxl s ALA 204 N -0.47 2.77 -0.46 9.38 0.00 -0.63 0.20 121.76 132.55 3hxl s ALA 204 Ca 0.08 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.15 3hxl s ALA 204 Cb -0.08 -1.15 0.12 0.00 0.00 0.00 0.00 23.12 22.02 3hxl s ALA 204 CO -0.01 0.46 0.20 -1.17 0.00 0.00 0.00 175.76 175.24 3hxl s LEU 205 N -0.40 4.37 -1.55 0.00 2.96 -0.53 -4.15 118.68 119.38 3hxl s LEU 205 Ca 0.05 -2.75 -0.09 0.00 -0.22 0.00 0.00 54.13 51.12 3hxl s LEU 205 Cb -0.12 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 3hxl s LEU 205 CO 0.02 -0.28 2.80 -0.81 -1.32 0.00 0.00 176.35 176.77 3hxl n PRO 206 N 3.45 3.89 -3.93 0.98 -0.04 -1.26 -4.36 135.00 133.73 3hxl n PRO 206 Ca 0.05 -2.52 -0.10 0.00 -0.04 0.00 0.00 63.50 60.89 3hxl n PRO 206 Cb 0.35 -2.78 -0.12 0.00 -0.04 0.00 0.00 33.50 30.91 3hxl n PRO 206 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hxl s SER 207 N 1.77 0.12 0.00 3.54 0.15 -1.26 -4.79 113.70 113.24 3hxl s SER 207 Ca 0.65 -0.27 0.25 0.00 0.70 0.00 0.00 55.95 57.28 3hxl s SER 207 Cb 0.18 0.09 0.62 0.00 -1.71 0.00 0.00 66.02 65.20 3hxl s SER 207 CO -0.07 -0.20 1.50 0.35 1.20 0.00 0.00 173.24 176.02 3hxl n THR 208 N 2.13 0.10 -1.78 6.45 -2.24 -1.26 -4.56 114.28 113.12 3hxl n THR 208 Ca -0.19 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.75 3hxl n THR 208 Cb 0.57 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 3hxl n THR 208 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hxl s ASP 209 N -1.87 5.44 0.36 3.42 -1.08 -1.26 -4.88 116.67 116.81 3hxl s ASP 209 Ca 0.34 1.43 0.05 0.00 -0.52 0.00 0.00 52.55 53.85 3hxl s ASP 209 Cb 0.20 -2.52 0.71 0.00 -1.46 0.00 0.00 42.92 39.86 3hxl s ASP 209 CO 0.31 -2.04 1.97 0.44 0.52 0.00 0.00 175.17 176.37 3hxl h ASP 210 N 14.94 0.69 -0.60 -0.34 3.32 -1.98 -1.91 116.42 130.54 3hxl h ASP 210 Ca -0.35 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.64 3hxl h ASP 210 Cb 1.21 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 3hxl h ASP 210 CO 1.04 0.46 0.12 0.00 -1.72 0.00 0.00 179.24 179.14 3hxl h ALA 211 N 1.61 0.80 -0.54 3.45 0.00 -2.00 -2.38 119.26 120.18 3hxl h ALA 211 Ca 0.29 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3hxl h ALA 211 Cb 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3hxl h ALA 211 CO -0.09 0.53 -0.04 -0.07 0.00 0.00 0.00 179.25 179.58 3hxl h LEU 212 N 0.89 0.94 -0.93 0.00 3.38 -1.80 -2.36 115.31 115.43 3hxl h LEU 212 Ca 0.19 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3hxl h LEU 212 Cb 0.39 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3hxl h LEU 212 CO 0.01 1.02 0.58 0.11 0.09 0.00 0.00 178.44 180.25 3hxl h LYS 213 N 0.88 1.25 -0.46 1.13 1.57 -1.15 0.68 116.57 120.46 3hxl h LYS 213 Ca 0.15 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3hxl h LYS 213 Cb 0.57 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3hxl h LYS 213 CO 0.03 0.86 0.04 0.00 -0.57 0.00 0.00 179.45 179.81 3hxl h ALA 214 N 1.32 0.62 -0.42 3.86 0.00 -1.19 -0.73 119.26 122.71 3hxl h ALA 214 Ca 0.34 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hxl h ALA 214 Cb -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3hxl h ALA 214 CO -0.07 0.38 0.16 1.15 0.00 0.00 0.00 179.25 180.88 3hxl h THR 215 N 0.65 1.20 -0.33 0.00 2.02 -0.92 -1.02 112.91 114.52 3hxl h THR 215 Ca 0.14 -0.62 -0.06 0.00 0.77 0.00 0.00 66.41 66.64 3hxl h THR 215 Cb 0.44 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 3hxl h THR 215 CO 0.02 0.23 -0.03 -0.26 0.37 0.00 0.00 175.52 175.84 3hxl h PHE 216 N 0.53 0.55 -0.43 3.16 0.05 -0.72 0.55 116.94 120.63 3hxl h PHE 216 Ca 0.14 -0.06 -0.04 0.00 3.82 0.00 0.00 57.97 61.82 3hxl h PHE 216 Cb 0.20 -0.16 -0.02 0.00 2.00 0.00 0.00 35.95 37.97 3hxl h PHE 216 CO 0.00 0.56 0.10 1.15 -0.18 0.00 0.00 178.31 179.94 3hxl h THR 217 N 0.50 1.23 -0.62 -1.55 2.02 -0.70 -0.65 112.91 113.15 3hxl h THR 217 Ca 0.10 -0.82 -0.08 0.00 0.77 0.00 0.00 66.41 66.38 3hxl h THR 217 Cb 0.38 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 3hxl h THR 217 CO 0.02 0.29 0.08 0.00 0.37 0.00 0.00 175.52 176.28 3hxl h ALA 218 N 0.96 0.82 -0.34 6.16 0.00 -0.75 -2.33 119.26 123.78 3hxl h ALA 218 Ca 0.13 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.82 3hxl h ALA 218 Cb 0.33 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3hxl h ALA 218 CO 0.00 0.60 0.08 0.35 0.00 0.00 0.00 179.25 180.28 3hxl h PHE 219 N 0.94 0.14 -0.52 0.00 3.57 -0.57 -1.23 116.94 119.28 3hxl h PHE 219 Ca 0.19 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.72 3hxl h PHE 219 Cb 0.45 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 3hxl h PHE 219 CO 0.03 0.04 0.33 0.00 -2.23 0.00 0.00 178.31 176.48 3hxl h ALA 220 N 1.24 0.66 -0.87 2.41 0.00 -0.89 -1.89 119.26 119.93 3hxl h ALA 220 Ca 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3hxl h ALA 220 Cb 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3hxl h ALA 220 CO -0.19 0.06 0.44 0.87 0.00 0.00 0.00 179.25 180.43 3hxl h LYS 221 N 0.66 1.24 0.09 0.00 1.57 -0.94 -0.86 116.57 118.33 3hxl h LYS 221 Ca 0.20 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3hxl h LYS 221 Cb -0.04 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.04 3hxl h LYS 221 CO -0.06 0.93 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.62 3hxl h ARG 222 N 1.23 -0.11 0.07 3.15 2.43 -0.91 -0.34 114.38 119.91 3hxl h ARG 222 Ca 0.30 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3hxl h ARG 222 Cb 0.08 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3hxl h ARG 222 CO -0.04 0.20 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.52 3hxl h LEU 223 N -0.43 -0.08 0.05 3.80 4.07 -1.28 0.05 115.31 121.50 3hxl h LEU 223 Ca -0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 3hxl h LEU 223 Cb 0.36 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.13 3hxl h LEU 223 CO 0.02 0.01 -0.03 0.03 -1.08 0.00 0.00 178.44 177.40 3hxl h ARG 224 N -0.17 -0.07 -0.00 1.13 3.08 -0.99 0.15 114.38 117.51 3hxl h ARG 224 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hxl h ARG 224 Cb 0.14 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3hxl h ARG 224 CO 0.02 0.04 -0.76 -0.25 -1.07 0.00 0.00 179.97 177.95 3hxl n ASP 225 N -5.08 1.04 -0.02 7.04 8.00 -0.14 -3.38 116.55 124.02 3hxl n ASP 225 Ca -0.08 -1.02 -0.00 0.00 0.71 0.00 0.00 54.79 54.40 3hxl n ASP 225 Cb 0.10 0.90 -0.06 0.00 -0.02 0.00 0.00 41.12 42.04 3hxl n ASP 225 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hxl n ASP 226 N -1.16 3.25 -0.00 -2.24 8.00 -0.11 -4.68 116.55 119.62 3hxl n ASP 226 Ca 0.04 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.60 3hxl n ASP 226 Cb 0.30 0.97 -0.07 0.00 -0.02 0.00 0.00 41.12 42.31 3hxl n ASP 226 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hxl n GLU 227 N -2.04 2.57 -1.43 -1.24 -0.58 -0.54 -4.99 120.64 112.38 3hxl n GLU 227 Ca -0.07 -0.03 -0.09 0.00 -0.42 0.00 0.00 57.16 56.55 3hxl n GLU 227 Cb 0.50 -1.08 -0.03 0.00 -0.57 0.00 0.00 31.44 30.25 3hxl n GLU 227 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hxl n GLY 228 N 1.43 0.90 3.23 0.62 0.00 -0.35 -4.96 105.19 106.05 3hxl n GLY 228 Ca 0.01 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 3hxl n GLY 228 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hxl s LYS 229 N -3.09 3.00 -0.37 1.61 2.20 0.39 -4.80 119.74 118.67 3hxl s LYS 229 Ca 0.00 -2.27 -0.29 0.00 -0.36 0.00 0.00 55.97 53.05 3hxl s LYS 229 Cb 0.00 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.22 3hxl s LYS 229 CO 0.00 -1.24 1.43 0.15 -0.36 0.00 0.00 175.35 175.33 3hxl s LYS 230 N 0.47 3.65 0.26 4.03 -0.14 -1.26 -2.82 119.74 123.92 3hxl s LYS 230 Ca 0.14 1.09 -0.03 0.00 -1.36 0.00 0.00 55.97 55.80 3hxl s LYS 230 Cb -0.18 -4.01 -0.02 0.00 -1.68 0.00 0.00 37.83 31.94 3hxl s LYS 230 CO -0.05 -1.47 0.31 0.96 -0.76 0.00 0.00 175.35 174.35 3hxl s ILE 231 N 5.28 0.00 0.06 2.17 -5.25 -1.26 -4.88 121.20 117.31 3hxl s ILE 231 Ca 0.62 -1.76 0.02 0.00 -0.99 0.00 0.00 60.65 58.54 3hxl s ILE 231 Cb -0.16 -2.45 -0.03 0.00 2.95 0.00 0.00 42.46 42.77 3hxl s ILE 231 CO 0.30 0.00 -0.07 -1.10 -1.79 0.00 0.00 174.94 172.28 3hxl s GLN 232 N -3.80 0.61 -0.04 0.37 -0.21 -0.50 -4.83 119.66 111.26 3hxl s GLN 232 Ca 0.33 -0.94 0.07 0.00 0.02 0.00 0.00 55.36 54.84 3hxl s GLN 232 Cb 0.03 -0.24 -0.02 0.00 1.00 0.00 0.00 33.01 33.78 3hxl s GLN 232 CO 0.15 0.02 -0.23 0.14 -2.12 0.00 0.00 175.29 173.25 3hxl s VAL 233 N -2.12 2.29 -0.27 1.09 -7.23 -0.51 -0.60 120.40 113.06 3hxl s VAL 233 Ca -0.03 -1.01 -0.04 0.00 -1.81 0.00 0.00 61.98 59.09 3hxl s VAL 233 Cb -0.05 -1.83 0.02 0.00 0.56 0.00 0.00 36.38 35.09 3hxl s VAL 233 CO -0.01 0.58 -0.00 -0.69 -0.31 0.00 0.00 175.10 174.66 3hxl s VAL 234 N -0.53 3.28 0.44 1.32 1.01 0.13 -0.98 120.40 125.08 3hxl s VAL 234 Ca 0.07 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.17 3hxl s VAL 234 Cb -0.11 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 3hxl s VAL 234 CO 0.00 0.12 0.19 -0.76 0.00 0.00 0.00 175.10 174.65 3hxl s LEU 235 N 1.38 2.96 -0.21 3.92 1.43 0.61 -1.45 118.68 127.32 3hxl s LEU 235 Ca 0.00 -1.18 -0.07 0.00 -1.03 0.00 0.00 54.13 51.86 3hxl s LEU 235 Cb -0.17 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 3hxl s LEU 235 CO -0.02 -0.66 0.06 -0.70 0.23 0.00 0.00 176.35 175.27 3hxl s GLU 236 N -3.95 3.82 -0.96 1.70 -6.30 -1.26 -0.51 118.70 111.23 3hxl s GLU 236 Ca 0.36 -0.41 -0.12 0.00 -2.50 0.00 0.00 54.97 52.29 3hxl s GLU 236 Cb 0.03 -3.24 0.02 0.00 0.00 0.00 0.00 34.13 30.94 3hxl s GLU 236 CO 0.20 0.08 0.63 0.09 0.02 0.00 0.00 175.26 176.27 3hxl n ASN 237 N 4.12 -4.56 -2.88 -1.70 3.02 0.15 -4.88 115.26 108.54 3hxl n ASN 237 Ca -0.16 -1.10 -0.12 0.00 -0.03 0.00 0.00 54.58 53.16 3hxl n ASN 237 Cb 0.52 -1.60 0.03 0.00 -0.61 0.00 0.00 39.78 38.12 3hxl n ASN 237 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hxl n TYR 238 N -3.49 -0.36 0.26 3.10 4.19 -1.26 -4.93 117.16 114.68 3hxl n TYR 238 Ca -0.25 -2.97 0.13 0.00 3.31 0.00 0.00 57.90 58.12 3hxl n TYR 238 Cb 0.65 0.19 0.64 0.00 0.49 0.00 0.00 39.34 41.31 3hxl n TYR 238 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 3hxl h PRO 239 N 2.87 0.00 0.00 2.98 0.13 -1.89 -2.50 132.00 133.58 3hxl h PRO 239 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3hxl h PRO 239 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3hxl h PRO 239 CO 0.36 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.13 3hxl h ALA 240 N 2.08 1.00 -0.74 -0.56 0.00 -1.91 -2.08 119.26 117.05 3hxl h ALA 240 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3hxl h ALA 240 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3hxl h ALA 240 CO 0.00 0.00 0.49 0.00 0.00 0.00 0.00 179.25 179.74 3hxl h ALA 241 N 2.00 1.68 -7.05 0.00 0.00 -1.79 -3.46 119.26 110.65 3hxl h ALA 241 Ca 0.00 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.27 3hxl h ALA 241 Cb 0.00 -0.20 -0.16 0.00 0.00 0.00 0.00 17.79 17.43 3hxl h ALA 241 CO 0.00 0.20 -0.98 -3.47 0.00 0.00 0.00 179.25 175.00 3hxl n ASP 242 N -4.48 -0.21 -3.79 0.00 2.03 -0.79 -4.93 116.55 104.38 3hxl n ASP 242 Ca 0.11 -1.28 -0.13 0.00 0.52 0.00 0.00 54.79 54.01 3hxl n ASP 242 Cb 0.22 -1.62 -0.12 0.00 -0.72 0.00 0.00 41.12 38.88 3hxl n ASP 242 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3hxl s TYR 243 N -4.19 -0.24 -0.33 -0.67 5.04 -1.25 -4.63 117.35 111.07 3hxl s TYR 243 Ca 0.11 0.59 0.22 0.00 -2.44 0.00 0.00 57.07 55.56 3hxl s TYR 243 Cb -0.06 0.06 1.07 0.00 0.35 0.00 0.00 41.96 43.39 3hxl s TYR 243 CO 0.99 -0.13 1.68 -0.85 -1.34 0.00 0.00 175.55 175.90 3hxl n GLU 244 N 3.25 0.16 0.00 4.97 0.00 -1.26 -1.58 120.64 126.18 3hxl n GLU 244 Ca -0.15 0.54 0.14 0.00 0.00 0.00 0.00 57.16 57.69 3hxl n GLU 244 Cb 0.57 -1.92 0.63 0.00 0.00 0.00 0.00 31.44 30.72 3hxl n GLU 244 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3hxl n GLY 245 N -0.72 -0.47 3.07 -1.84 0.00 -1.26 -4.81 105.19 99.15 3hxl n GLY 245 Ca 0.00 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 3hxl n GLY 245 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hxl s VAL 246 N -2.13 1.44 -0.14 1.61 1.01 -0.61 -1.42 120.40 120.15 3hxl s VAL 246 Ca 0.37 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 3hxl s VAL 246 Cb 0.21 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 3hxl s VAL 246 CO 0.39 0.43 0.01 -0.63 0.00 0.00 0.00 175.10 175.29 3hxl s ILE 247 N 0.78 4.37 -0.30 2.22 1.01 -0.15 -0.63 121.20 128.49 3hxl s ILE 247 Ca -0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 3hxl s ILE 247 Cb -0.16 -2.91 0.06 0.00 0.01 0.00 0.00 42.46 39.46 3hxl s ILE 247 CO 0.02 0.52 -0.00 -0.55 0.00 0.00 0.00 174.94 174.93 3hxl s SER 248 N -0.04 4.85 -0.16 3.58 0.15 -1.26 -0.28 113.70 120.53 3hxl s SER 248 Ca 0.04 -1.36 -0.28 0.00 0.70 0.00 0.00 55.95 55.05 3hxl s SER 248 Cb -0.13 -1.69 -0.01 0.00 -1.71 0.00 0.00 66.02 62.48 3hxl s SER 248 CO 0.02 -0.27 0.96 -0.69 1.20 0.00 0.00 173.24 174.46 3hxl s VAL 249 N 1.21 4.78 -0.14 4.45 1.01 0.33 -0.11 120.40 131.93 3hxl s VAL 249 Ca -0.04 1.92 -0.21 0.00 0.00 0.00 0.00 61.98 63.64 3hxl s VAL 249 Cb -0.20 -4.26 -0.24 0.00 0.00 0.00 0.00 36.38 31.68 3hxl s VAL 249 CO -0.02 -0.05 0.50 0.50 0.00 0.00 0.00 175.10 176.04 3hxl h LYS 250 N 7.28 0.11 -5.17 2.72 3.64 -1.09 0.46 116.57 124.52 3hxl h LYS 250 Ca -0.27 -0.19 -0.64 0.00 -1.27 0.00 0.00 60.65 58.28 3hxl h LYS 250 Cb 1.12 0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 32.88 3hxl h LYS 250 CO 0.89 1.09 -0.52 0.54 -2.27 0.00 0.00 179.45 179.18 3hxl s ASN 251 N -6.79 3.69 0.00 4.20 4.22 -1.26 -4.73 114.94 114.26 3hxl s ASN 251 Ca -0.22 -1.65 0.00 0.00 -2.14 0.00 0.00 52.86 48.85 3hxl s ASN 251 Cb 0.03 0.48 0.00 0.00 1.28 0.00 0.00 41.25 43.04 3hxl s ASN 251 CO 0.69 -0.86 0.00 0.61 -2.04 0.00 0.00 177.10 175.50 3hxl n GLY 252 N -1.14 5.29 3.22 0.45 0.00 0.27 -4.24 105.19 109.04 3hxl n GLY 252 Ca -0.14 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.67 3hxl n GLY 252 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hxl s VAL 253 N 0.80 0.04 -0.16 1.61 -7.23 -0.85 -1.19 120.40 113.42 3hxl s VAL 253 Ca 0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 3hxl s VAL 253 Cb 0.00 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.44 3hxl s VAL 253 CO 0.00 0.00 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.93 3hxl s VAL 254 N -4.06 2.43 0.62 1.32 1.01 -0.19 -0.55 120.40 120.98 3hxl s VAL 254 Ca 0.39 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 3hxl s VAL 254 Cb 0.07 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3hxl s VAL 254 CO 0.14 0.52 1.00 -0.76 0.00 0.00 0.00 175.10 175.99 3hxl s LEU 255 N 1.01 3.19 0.56 3.92 1.43 0.13 0.02 118.68 128.94 3hxl s LEU 255 Ca -0.02 1.16 0.28 0.00 -1.03 0.00 0.00 54.13 54.52 3hxl s LEU 255 Cb -0.15 -4.08 1.67 0.00 0.03 0.00 0.00 46.19 43.66 3hxl s LEU 255 CO -0.04 -1.00 2.19 0.00 0.23 0.00 0.00 176.35 177.73 3hxl h ALA 256 N -0.32 1.48 -0.10 4.21 0.00 -0.99 -0.31 119.26 123.22 3hxl h ALA 256 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3hxl h ALA 256 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hxl h ALA 256 CO 0.62 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.52 3hxl n ASP 257 N -3.83 0.88 0.00 0.00 5.75 -1.26 -4.88 116.55 113.21 3hxl n ASP 257 Ca -0.03 -1.66 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 3hxl n ASP 257 Cb 0.13 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 3hxl n ASP 257 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxl n GLY 258 N 0.93 1.68 3.72 6.12 0.00 -0.13 -5.04 105.19 112.48 3hxl n GLY 258 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3hxl n GLY 258 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hxl n THR 259 N -2.00 0.27 -3.72 2.61 -1.04 -1.25 -4.68 114.28 104.47 3hxl n THR 259 Ca 0.00 -0.07 -0.37 0.00 -2.04 0.00 0.00 64.05 61.57 3hxl n THR 259 Cb 0.00 -1.97 -0.12 0.00 -1.82 0.00 0.00 70.33 66.42 3hxl n THR 259 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3hxl s ILE 260 N 0.85 4.39 -0.15 12.58 1.09 -1.26 0.20 121.20 138.90 3hxl s ILE 260 Ca 0.72 -0.30 -0.07 0.00 -1.10 0.00 0.00 60.65 59.91 3hxl s ILE 260 Cb -0.51 -3.13 -0.04 0.00 -1.06 0.00 0.00 42.46 37.72 3hxl s ILE 260 CO 0.37 0.22 0.08 -0.76 -0.10 0.00 0.00 174.94 174.76 3hxl s LEU 261 N 1.61 4.00 0.97 2.97 1.43 0.28 -4.99 118.68 124.95 3hxl s LEU 261 Ca 0.05 0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.24 3hxl s LEU 261 Cb -0.16 -1.99 0.17 0.00 0.03 0.00 0.00 46.19 44.25 3hxl s LEU 261 CO 0.04 0.28 1.19 0.42 0.23 0.00 0.00 176.35 178.51 3hxl s THR 262 N -0.26 1.93 0.21 5.49 -4.23 -1.26 -2.01 115.64 115.51 3hxl s THR 262 Ca 0.09 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.52 3hxl s THR 262 Cb -0.12 -2.79 0.14 0.00 1.34 0.00 0.00 72.50 71.07 3hxl s THR 262 CO 0.01 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 175.86 3hxl h ALA 263 N -1.68 1.01 -0.60 3.99 0.00 -1.85 0.24 119.26 120.36 3hxl h ALA 263 Ca -0.47 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.25 3hxl h ALA 263 Cb 1.30 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3hxl h ALA 263 CO 0.51 0.65 0.37 0.00 0.00 0.00 0.00 179.25 180.78 3hxl h ALA 264 N 1.15 0.77 -0.10 0.00 0.00 -1.90 -1.88 119.26 117.30 3hxl h ALA 264 Ca 0.25 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3hxl h ALA 264 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hxl h ALA 264 CO -0.02 0.11 -0.43 1.96 0.00 0.00 0.00 179.25 180.88 3hxl h GLN 265 N 0.73 0.23 0.00 0.00 4.20 -1.76 -2.94 115.11 115.58 3hxl h GLN 265 Ca 0.24 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3hxl h GLN 265 Cb 0.01 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3hxl h GLN 265 CO -0.09 0.62 0.00 0.00 -0.67 0.00 0.00 178.83 178.69 3hxl h ALA 266 N 1.36 1.00 0.00 3.87 0.00 -0.15 -2.70 119.26 122.64 3hxl h ALA 266 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hxl h ALA 266 Cb 0.84 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3hxl h ALA 266 CO 0.07 0.00 -0.03 1.79 0.00 0.00 0.00 179.25 181.07 3hxl h THR 267 N 0.00 0.88 0.49 0.00 1.35 -1.27 -2.04 112.91 112.32 3hxl h THR 267 Ca 0.00 -0.12 -0.02 0.00 -0.55 0.00 0.00 66.41 65.71 3hxl h THR 267 Cb 0.29 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 3hxl h THR 267 CO 0.00 0.03 -0.24 0.00 -0.25 0.00 0.00 175.52 175.07 3hxl h ALA 268 N 1.97 -0.66 -0.41 6.62 0.00 -1.68 0.13 119.26 125.22 3hxl h ALA 268 Ca -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3hxl h ALA 268 Cb 0.07 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3hxl h ALA 268 CO 0.00 -0.87 0.10 2.35 0.00 0.00 0.00 179.25 180.83 3hxl h TRP 269 N -0.67 0.69 -0.84 0.00 7.01 -1.66 -1.45 115.95 119.03 3hxl h TRP 269 Ca -0.07 -0.08 0.05 0.00 2.11 0.00 0.00 58.89 60.90 3hxl h TRP 269 Cb 0.51 -0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 27.32 3hxl h TRP 269 CO -0.04 0.66 0.53 0.28 -2.79 0.00 0.00 178.44 177.08 3hxl h VAL 270 N 0.52 1.08 -0.43 2.65 2.07 -1.28 0.38 116.25 121.24 3hxl h VAL 270 Ca 0.13 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 3hxl h VAL 270 Cb 0.32 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3hxl h VAL 270 CO 0.00 0.18 -0.07 0.00 0.02 0.00 0.00 177.57 177.70 3hxl h ALA 271 N 1.38 0.59 -0.53 1.67 0.00 -0.83 -0.50 119.26 121.04 3hxl h ALA 271 Ca 0.35 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3hxl h ALA 271 Cb 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3hxl h ALA 271 CO -0.15 0.45 0.03 0.78 0.00 0.00 0.00 179.25 180.37 3hxl h GLY 272 N 0.65 0.99 1.25 0.00 0.00 -0.59 -1.02 103.07 104.35 3hxl h GLY 272 Ca 0.11 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.64 3hxl h GLY 272 CO 0.04 0.65 -0.09 0.00 0.00 0.00 0.00 176.54 177.13 3hxl h ALA 273 N 0.96 0.92 -0.24 3.60 0.00 -0.16 0.52 119.26 124.86 3hxl h ALA 273 Ca 0.16 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3hxl h ALA 273 Cb 0.48 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3hxl h ALA 273 CO 0.02 0.63 -0.06 1.15 0.00 0.00 0.00 179.25 180.99 3hxl h THR 274 N 0.80 1.28 -0.61 0.00 2.02 -0.97 -0.20 112.91 115.23 3hxl h THR 274 Ca 0.13 -1.07 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 3hxl h THR 274 Cb 0.60 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 3hxl h THR 274 CO 0.04 0.33 0.16 0.00 0.37 0.00 0.00 175.52 176.42 3hxl h ALA 275 N 0.76 0.81 0.00 6.16 0.00 -1.06 -2.93 119.26 123.00 3hxl h ALA 275 Ca 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3hxl h ALA 275 Cb 0.53 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hxl h ALA 275 CO 0.02 0.50 -0.05 0.78 0.00 0.00 0.00 179.25 180.51 3hxl h GLY 276 N 0.89 0.00 -4.02 0.00 0.00 -0.82 0.32 103.07 99.45 3hxl h GLY 276 Ca 0.19 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.00 3hxl h GLY 276 CO -0.00 0.00 0.70 0.00 0.00 0.00 0.00 176.54 177.24 3hxl s ALA 277 N -3.43 3.55 0.68 3.60 0.00 -0.09 -4.75 121.76 121.32 3hxl s ALA 277 Ca 0.04 1.34 -0.10 0.00 0.00 0.00 0.00 51.96 53.23 3hxl s ALA 277 Cb 0.07 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.68 3hxl s ALA 277 CO 0.62 -0.74 1.05 1.03 0.00 0.00 0.00 175.76 177.71 3hxl s ARG 278 N -1.36 2.91 0.14 0.00 0.52 -1.26 -4.84 118.95 115.06 3hxl s ARG 278 Ca 0.53 0.38 0.13 0.00 -0.52 0.00 0.00 55.73 56.25 3hxl s ARG 278 Cb -0.42 -2.08 0.63 0.00 0.52 0.00 0.00 34.95 33.60 3hxl s ARG 278 CO 0.51 -0.94 1.40 1.33 0.02 0.00 0.00 175.30 177.63 3hxl n VAL 279 N -2.90 1.33 -0.10 3.52 0.24 -1.26 -1.10 118.33 118.06 3hxl n VAL 279 Ca 0.06 0.48 0.06 0.00 -2.04 0.00 0.00 64.34 62.90 3hxl n VAL 279 Cb 0.57 -1.42 0.16 0.00 -1.47 0.00 0.00 33.84 31.68 3hxl n VAL 279 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3hxl n ASN 280 N -1.85 2.90 -4.50 -1.34 0.23 -1.26 -4.34 115.26 105.10 3hxl n ASN 280 Ca 0.01 -1.94 -0.32 0.00 -0.53 0.00 0.00 54.58 51.80 3hxl n ASN 280 Cb 0.08 -0.22 -0.12 0.00 -2.08 0.00 0.00 39.78 37.43 3hxl n ASN 280 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3hxl s GLU 281 N -1.00 2.42 0.02 -3.83 2.02 -0.26 -4.93 118.70 113.13 3hxl s GLU 281 Ca 0.24 -0.76 0.08 0.00 0.02 0.00 0.00 54.97 54.56 3hxl s GLU 281 Cb 0.13 -2.37 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 3hxl s GLU 281 CO 0.17 0.60 -0.25 0.45 0.02 0.00 0.00 175.26 176.26 3hxl s SER 282 N -1.03 3.22 0.00 -0.19 0.15 -1.26 -4.58 113.70 110.01 3hxl s SER 282 Ca 0.13 -0.51 0.29 0.00 0.70 0.00 0.00 55.95 56.56 3hxl s SER 282 Cb -0.11 -0.36 1.22 0.00 -1.71 0.00 0.00 66.02 65.06 3hxl s SER 282 CO 0.03 0.29 1.91 0.18 1.20 0.00 0.00 173.24 176.84 3hxl n LEU 283 N 2.03 0.04 -4.66 3.45 4.77 -1.26 -4.84 117.00 116.53 3hxl n LEU 283 Ca -0.17 0.44 -0.53 0.00 -0.03 0.00 0.00 56.01 55.72 3hxl n LEU 283 Cb 0.52 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 3hxl n LEU 283 CO 0.23 0.01 1.18 0.41 -1.33 0.00 0.00 177.39 177.89 3hxl n THR 284 N -1.47 0.20 -1.44 -5.08 -1.04 -1.26 -0.62 114.28 103.56 3hxl n THR 284 Ca 0.08 -0.04 -0.15 0.00 -2.04 0.00 0.00 64.05 61.90 3hxl n THR 284 Cb 0.33 -1.18 -0.06 0.00 -1.82 0.00 0.00 70.33 67.60 3hxl n THR 284 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3hxl n TYR 285 N 4.29 0.00 -3.33 -1.42 4.02 0.11 -4.94 117.16 115.90 3hxl n TYR 285 Ca 0.22 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.79 3hxl n TYR 285 Cb 0.18 -2.82 -0.06 0.00 -0.02 0.00 0.00 39.34 36.62 3hxl n TYR 285 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 3hxl s GLN 286 N -3.24 3.88 0.15 -0.72 -0.21 0.20 -4.72 119.66 115.00 3hxl s GLN 286 Ca 0.00 0.41 -0.11 0.00 0.02 0.00 0.00 55.36 55.68 3hxl s GLN 286 Cb 0.00 -2.60 -0.07 0.00 1.00 0.00 0.00 33.01 31.34 3hxl s GLN 286 CO 0.00 0.28 0.49 0.20 -2.12 0.00 0.00 175.29 174.14 3hxl s GLY 287 N -2.28 2.36 -0.21 3.09 0.00 -1.26 -1.25 107.32 107.77 3hxl s GLY 287 Ca 0.49 -0.28 -0.29 0.00 0.00 0.00 0.00 44.72 44.64 3hxl s GLY 287 CO 0.20 -0.07 1.56 -0.47 0.00 0.00 0.00 173.10 174.32 3hxl s TYR 288 N -1.55 2.20 -0.13 1.90 6.14 0.23 -4.90 117.35 121.24 3hxl s TYR 288 Ca 0.39 0.57 -0.38 0.00 0.64 0.00 0.00 57.07 58.30 3hxl s TYR 288 Cb -0.13 -3.93 -0.15 0.00 0.42 0.00 0.00 41.96 38.16 3hxl s TYR 288 CO 0.20 -2.82 1.67 -0.25 0.64 0.00 0.00 175.55 174.99 3hxl n ASP 289 N 8.11 2.47 0.00 4.32 9.92 -1.26 -1.23 116.55 138.87 3hxl n ASP 289 Ca 0.18 1.07 0.00 0.00 -0.53 0.00 0.00 54.79 55.50 3hxl n ASP 289 Cb 0.45 -1.22 0.00 0.00 -0.64 0.00 0.00 41.12 39.71 3hxl n ASP 289 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3hxl n GLU 290 N 4.81 0.00 -3.15 -1.24 2.13 -1.26 -5.04 120.64 116.89 3hxl n GLU 290 Ca 0.23 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.68 3hxl n GLU 290 Cb 0.19 -1.24 -0.06 0.00 0.27 0.00 0.00 31.44 30.60 3hxl n GLU 290 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hxl s ALA 291 N -2.90 3.48 0.00 4.31 0.00 -0.37 -0.32 121.76 125.97 3hxl s ALA 291 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3hxl s ALA 291 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.36 3hxl s ALA 291 CO 0.00 0.35 0.30 1.33 0.00 0.00 0.00 175.76 177.75 3hxl n VAL 292 N 1.12 0.00 -3.82 0.00 0.24 0.10 -3.78 118.33 112.18 3hxl n VAL 292 Ca -0.05 -0.46 -0.06 0.00 -2.04 0.00 0.00 64.34 61.73 3hxl n VAL 292 Cb 0.51 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 3hxl n VAL 292 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3hxl s ASP 293 N -0.31 -0.12 0.24 -1.34 -1.08 -1.15 -3.40 116.67 109.51 3hxl s ASP 293 Ca 0.00 -0.73 0.11 0.00 -0.52 0.00 0.00 52.55 51.41 3hxl s ASP 293 Cb 0.00 0.67 -0.05 0.00 -1.46 0.00 0.00 42.92 42.08 3hxl s ASP 293 CO 0.00 -1.28 -0.19 0.68 0.52 0.00 0.00 175.17 174.90 3hxl s VAL 294 N -2.99 2.22 -0.19 1.11 -7.23 -1.26 -1.02 120.40 111.03 3hxl s VAL 294 Ca 0.14 -2.27 -0.05 0.00 -1.81 0.00 0.00 61.98 58.00 3hxl s VAL 294 Cb -0.04 -2.17 0.10 0.00 0.56 0.00 0.00 36.38 34.82 3hxl s VAL 294 CO 0.07 -0.41 0.34 0.00 -0.31 0.00 0.00 175.10 174.79 3hxl s ALA 295 N -2.49 -0.88 0.82 1.32 0.00 -0.34 -4.28 121.76 115.91 3hxl s ALA 295 Ca 0.26 1.04 -0.09 0.00 0.00 0.00 0.00 51.96 53.17 3hxl s ALA 295 Cb -0.04 -1.35 0.14 0.00 0.00 0.00 0.00 23.12 21.87 3hxl s ALA 295 CO 0.12 -0.92 1.14 -1.25 0.00 0.00 0.00 175.76 174.84 3hxl s PRO 296 N 2.51 1.35 0.22 0.00 0.04 -1.26 -0.57 135.00 137.29 3hxl s PRO 296 Ca 0.04 -0.62 0.01 0.00 0.04 0.00 0.00 61.00 60.47 3hxl s PRO 296 Cb -0.13 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 3hxl s PRO 296 CO -0.12 -1.82 0.40 1.03 0.04 0.00 0.00 177.00 176.52 3hxl s ARG 297 N -5.49 3.49 0.15 4.56 0.52 -1.26 -4.82 118.95 116.11 3hxl s ARG 297 Ca 0.68 -0.44 0.06 0.00 -0.52 0.00 0.00 55.73 55.50 3hxl s ARG 297 Cb -0.06 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 3hxl s ARG 297 CO 0.48 0.38 -0.12 0.71 0.02 0.00 0.00 175.30 176.77 3hxl s TYR 298 N -1.94 1.40 0.70 -0.53 2.02 -1.26 -5.14 117.35 112.61 3hxl s TYR 298 Ca 0.37 -0.66 -0.08 0.00 -0.37 0.00 0.00 57.07 56.33 3hxl s TYR 298 Cb -0.10 -0.70 0.05 0.00 -0.40 0.00 0.00 41.96 40.81 3hxl s TYR 298 CO 0.30 0.16 1.03 0.95 -1.57 0.00 0.00 175.55 176.43 3hxl s THR 299 N -2.94 2.58 0.23 -0.71 -4.23 -1.26 -4.84 115.64 104.47 3hxl s THR 299 Ca 0.16 -0.10 -0.06 0.00 -1.18 0.00 0.00 61.69 60.51 3hxl s THR 299 Cb -0.00 -3.13 0.19 0.00 1.34 0.00 0.00 72.50 70.90 3hxl s THR 299 CO 0.03 -0.14 1.80 -1.13 -0.54 0.00 0.00 174.62 174.64 3hxl h ASN 300 N -0.62 0.60 -0.67 3.99 -1.24 -2.01 -0.41 115.58 115.22 3hxl h ASN 300 Ca -0.45 0.04 -0.07 0.00 0.71 0.00 0.00 56.30 56.54 3hxl h ASN 300 Cb 1.30 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 40.26 3hxl h ASN 300 CO 0.62 0.35 0.15 0.00 -1.29 0.00 0.00 177.43 177.26 3hxl h ALA 301 N 1.42 0.89 -0.34 1.57 0.00 -2.00 -2.16 119.26 118.64 3hxl h ALA 301 Ca 0.36 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hxl h ALA 301 Cb 0.31 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hxl h ALA 301 CO -0.23 0.62 -0.17 1.96 0.00 0.00 0.00 179.25 181.42 3hxl h GLN 302 N 1.01 0.63 -0.23 0.00 4.20 -1.68 -1.53 115.11 117.51 3hxl h GLN 302 Ca 0.21 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3hxl h GLN 302 Cb 0.38 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3hxl h GLN 302 CO 0.00 0.77 -0.00 0.82 -0.67 0.00 0.00 178.83 179.75 3hxl h ILE 303 N 0.57 1.26 -0.60 2.54 2.04 -0.87 -1.06 117.51 121.38 3hxl h ILE 303 Ca 0.09 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.07 3hxl h ILE 303 Cb 0.61 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 3hxl h ILE 303 CO 0.04 0.28 0.39 0.40 0.00 0.00 0.00 178.15 179.26 3hxl h ILE 304 N 0.17 1.13 -0.77 -0.67 2.04 -1.27 0.39 117.51 118.53 3hxl h ILE 304 Ca 0.06 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 3hxl h ILE 304 Cb 0.41 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3hxl h ILE 304 CO 0.01 0.14 0.32 0.00 0.00 0.00 0.00 178.15 178.62 3hxl h ALA 305 N 1.23 1.00 -0.47 1.87 0.00 -1.18 -0.53 119.26 121.19 3hxl h ALA 305 Ca 0.23 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3hxl h ALA 305 Cb -0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3hxl h ALA 305 CO -0.06 0.62 0.04 0.00 0.00 0.00 0.00 179.25 179.84 3hxl h ALA 306 N 1.16 0.62 -0.30 0.00 0.00 -0.54 -1.02 119.26 119.18 3hxl h ALA 306 Ca 0.26 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3hxl h ALA 306 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3hxl h ALA 306 CO -0.02 0.39 0.08 -0.07 0.00 0.00 0.00 179.25 179.62 3hxl h LEU 307 N 0.66 0.46 -2.25 0.00 3.38 -0.74 -0.85 115.31 115.97 3hxl h LEU 307 Ca 0.14 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3hxl h LEU 307 Cb 0.45 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3hxl h LEU 307 CO 0.02 0.57 0.03 -0.61 0.09 0.00 0.00 178.44 178.54 3hxl h GLN 308 N 0.33 0.00 -0.00 1.13 4.15 -0.93 0.12 115.11 119.91 3hxl h GLN 308 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3hxl h GLN 308 Cb 0.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.98 3hxl h GLN 308 CO 0.00 0.00 -0.12 0.00 -1.93 0.00 0.00 178.83 176.78 3hxl n ALA 309 N -2.42 2.79 -1.40 3.38 0.00 -0.40 -4.93 120.51 117.53 3hxl n ALA 309 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3hxl n ALA 309 Cb 0.13 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3hxl n ALA 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxl n GLY 310 N 1.28 0.80 3.84 0.00 0.00 0.43 -4.83 105.19 106.70 3hxl n GLY 310 Ca 0.14 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 3hxl n GLY 310 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hxl s GLU 311 N -3.06 3.71 -0.31 1.61 2.02 -0.40 -3.63 118.70 118.64 3hxl s GLU 311 Ca 0.00 0.06 -0.18 0.00 0.02 0.00 0.00 54.97 54.87 3hxl s GLU 311 Cb 0.00 -3.23 -0.01 0.00 0.10 0.00 0.00 34.13 30.98 3hxl s GLU 311 CO 0.00 0.68 0.53 0.12 0.02 0.00 0.00 175.26 176.60 3hxl s PHE 312 N -0.83 3.21 0.05 1.61 2.19 0.85 -4.51 117.98 120.54 3hxl s PHE 312 Ca 0.18 0.39 -0.01 0.00 0.33 0.00 0.00 56.93 57.82 3hxl s PHE 312 Cb -0.14 -2.86 -0.03 0.00 -1.31 0.00 0.00 43.02 38.68 3hxl s PHE 312 CO 0.07 -0.44 -0.01 -0.48 1.83 0.00 0.00 175.22 176.19 3hxl s LEU 313 N 2.39 2.35 0.00 6.12 0.05 -1.26 -0.46 118.68 127.87 3hxl s LEU 313 Ca 0.20 -0.86 -0.01 0.00 0.05 0.00 0.00 54.13 53.51 3hxl s LEU 313 Cb -0.15 0.24 -0.04 0.00 -2.05 0.00 0.00 46.19 44.19 3hxl s LEU 313 CO 0.12 -0.54 0.14 -0.36 -0.55 0.00 0.00 176.35 175.16 3hxl s PHE 314 N -3.37 3.44 -0.04 3.48 0.08 -1.26 -1.09 117.98 119.23 3hxl s PHE 314 Ca 0.02 0.29 0.03 0.00 0.12 0.00 0.00 56.93 57.39 3hxl s PHE 314 Cb 0.04 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.71 3hxl s PHE 314 CO -0.08 0.61 -0.13 0.99 -0.10 0.00 0.00 175.22 176.51 3hxl s THR 315 N -1.30 1.09 0.22 0.64 2.01 0.81 -4.87 115.64 114.24 3hxl s THR 315 Ca 0.26 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 3hxl s THR 315 Cb -0.12 -0.96 -0.08 0.00 0.01 0.00 0.00 72.50 71.34 3hxl s THR 315 CO 0.18 0.33 1.04 0.00 -0.69 0.00 0.00 174.62 175.47 3hxl s ALA 316 N 0.23 3.36 -0.29 7.40 0.00 -1.26 -0.49 121.76 130.71 3hxl s ALA 316 Ca -0.05 0.76 -0.15 0.00 0.00 0.00 0.00 51.96 52.52 3hxl s ALA 316 Cb -0.11 -3.29 0.12 0.00 0.00 0.00 0.00 23.12 19.84 3hxl s ALA 316 CO 0.02 -0.05 0.82 0.45 0.00 0.00 0.00 175.76 177.00 3hxl s SER 317 N -0.67 -0.79 -1.49 0.00 0.15 -0.11 -4.93 113.70 105.86 3hxl s SER 317 Ca 0.45 1.19 -0.07 0.00 0.70 0.00 0.00 55.95 58.21 3hxl s SER 317 Cb -0.29 1.56 0.06 0.00 -1.71 0.00 0.00 66.02 65.64 3hxl s SER 317 CO 0.35 -0.18 0.68 -0.67 1.20 0.00 0.00 173.24 174.63 3hxl n ASP 318 N 4.46 -2.17 -2.58 5.45 2.03 -1.26 -1.20 116.55 121.28 3hxl n ASP 318 Ca -0.16 -0.92 -0.20 0.00 0.52 0.00 0.00 54.79 54.03 3hxl n ASP 318 Cb 0.56 -3.35 0.02 0.00 -0.72 0.00 0.00 41.12 37.62 3hxl n ASP 318 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3hxl n ASN 319 N -2.89 -5.69 -4.12 1.67 3.02 -1.26 -5.00 115.26 100.99 3hxl n ASN 319 Ca -0.14 -0.19 -0.08 0.00 -0.03 0.00 0.00 54.58 54.14 3hxl n ASN 319 Cb 0.60 -4.58 -0.10 0.00 -0.61 0.00 0.00 39.78 35.09 3hxl n ASN 319 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3hxl s GLN 320 N -5.40 0.70 -0.46 3.52 -0.21 -0.34 -4.25 119.66 113.22 3hxl s GLN 320 Ca 0.19 -1.27 -0.08 0.00 0.02 0.00 0.00 55.36 54.22 3hxl s GLN 320 Cb -0.08 0.09 0.12 0.00 1.00 0.00 0.00 33.01 34.14 3hxl s GLN 320 CO 0.24 -0.10 0.32 0.00 -2.12 0.00 0.00 175.29 173.63 3hxl s ALA 321 N -3.85 3.36 0.07 6.09 0.00 -1.25 -0.93 121.76 125.25 3hxl s ALA 321 Ca 0.10 -2.51 -0.10 0.00 0.00 0.00 0.00 51.96 49.45 3hxl s ALA 321 Cb 0.07 -2.76 -0.06 0.00 0.00 0.00 0.00 23.12 20.37 3hxl s ALA 321 CO -0.08 -1.88 0.39 -0.51 0.00 0.00 0.00 175.76 173.69 3hxl s LEU 322 N 1.34 4.35 -0.09 0.00 1.02 0.36 -0.60 118.68 125.05 3hxl s LEU 322 Ca 0.06 0.78 -0.30 0.00 0.02 0.00 0.00 54.13 54.69 3hxl s LEU 322 Cb -0.26 -2.96 -0.04 0.00 0.02 0.00 0.00 46.19 42.96 3hxl s LEU 322 CO -0.01 0.18 1.42 -0.69 0.02 0.00 0.00 176.35 177.26 3hxl s VAL 323 N -1.39 3.94 0.06 -1.59 1.01 -0.38 -0.13 120.40 121.91 3hxl s VAL 323 Ca 0.33 1.18 -0.31 0.00 0.00 0.00 0.00 61.98 63.18 3hxl s VAL 323 Cb -0.14 -3.76 -0.18 0.00 0.00 0.00 0.00 36.38 32.30 3hxl s VAL 323 CO 0.18 -0.08 1.53 -0.08 0.00 0.00 0.00 175.10 176.65 3hxl h GLU 324 N 8.54 -0.78 -2.91 2.72 4.57 -1.44 0.32 114.58 125.60 3hxl h GLU 324 Ca -0.33 0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 57.74 3hxl h GLU 324 Cb 1.15 0.18 -0.28 0.00 -0.16 0.00 0.00 28.75 29.64 3hxl h GLU 324 CO 0.95 -0.49 -0.40 -0.65 -1.18 0.00 0.00 179.01 177.24 3hxl s GLN 325 N -5.75 0.30 -1.29 1.92 -0.21 -1.26 -4.37 119.66 109.00 3hxl s GLN 325 Ca -0.17 0.58 -0.16 0.00 0.02 0.00 0.00 55.36 55.62 3hxl s GLN 325 Cb 0.03 -0.02 0.10 0.00 1.00 0.00 0.00 33.01 34.12 3hxl s GLN 325 CO 0.59 -0.13 1.71 -3.47 -2.12 0.00 0.00 175.29 171.87 3hxl n ASP 326 N 3.89 4.93 -4.34 5.90 2.03 -1.26 -4.59 116.55 123.11 3hxl n ASP 326 Ca -0.22 -2.93 -0.19 0.00 0.52 0.00 0.00 54.79 51.98 3hxl n ASP 326 Cb 0.55 -1.69 -0.10 0.00 -0.72 0.00 0.00 41.12 39.16 3hxl n ASP 326 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3hxl s ILE 327 N 3.40 1.73 0.42 5.18 -4.36 -1.26 -1.99 121.20 124.32 3hxl s ILE 327 Ca 0.50 -2.19 0.06 0.00 -0.26 0.00 0.00 60.65 58.76 3hxl s ILE 327 Cb 0.03 -2.03 0.06 0.00 1.25 0.00 0.00 42.46 41.77 3hxl s ILE 327 CO 0.05 -0.58 0.50 -0.46 0.24 0.00 0.00 174.94 174.68 3hxl n ASN 328 N -0.34 1.77 0.00 4.36 0.23 0.22 -4.49 115.26 117.01 3hxl n ASN 328 Ca -0.08 -2.20 0.12 0.00 -0.53 0.00 0.00 54.58 51.88 3hxl n ASN 328 Cb 0.60 -0.22 0.63 0.00 -2.08 0.00 0.00 39.78 38.71 3hxl n ASN 328 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3hxl n THR 329 N -1.77 0.19 -1.77 5.53 -2.24 0.20 -4.62 114.28 109.79 3hxl n THR 329 Ca 0.08 0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.48 3hxl n THR 329 Cb 0.44 -0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 3hxl n THR 329 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hxl s LEU 330 N -2.49 4.21 0.00 3.22 2.96 -1.24 -3.81 118.68 121.53 3hxl s LEU 330 Ca 0.25 2.36 0.00 0.00 -0.22 0.00 0.00 54.13 56.52 3hxl s LEU 330 Cb 0.16 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.33 3hxl s LEU 330 CO 0.36 -1.19 0.00 0.35 -1.32 0.00 0.00 176.35 174.56 3hxl n THR 331 N 5.95 0.00 -2.80 3.68 -2.24 -1.26 -4.72 114.28 112.90 3hxl n THR 331 Ca 0.21 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.55 3hxl n THR 331 Cb 0.42 0.12 -0.00 0.00 -2.10 0.00 0.00 70.33 68.78 3hxl n THR 331 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hxl s SER 332 N -1.52 6.97 0.38 3.42 0.01 -1.26 -4.99 113.70 116.71 3hxl s SER 332 Ca 0.00 -2.74 -0.24 0.00 1.31 0.00 0.00 55.95 54.28 3hxl s SER 332 Cb 0.00 -2.47 -0.10 0.00 0.21 0.00 0.00 66.02 63.66 3hxl s SER 332 CO 0.00 -0.93 0.99 -0.36 0.41 0.00 0.00 173.24 173.35 3hxl s PHE 333 N 2.69 3.41 0.39 2.43 0.08 -1.26 -5.03 117.98 120.69 3hxl s PHE 333 Ca 0.47 1.68 0.04 0.00 0.12 0.00 0.00 56.93 59.24 3hxl s PHE 333 Cb -0.00 -3.00 -0.03 0.00 -0.57 0.00 0.00 43.02 39.43 3hxl s PHE 333 CO 0.03 -0.24 0.14 0.95 -0.10 0.00 0.00 175.22 176.00 3hxl s THR 334 N -1.76 0.56 0.17 0.64 -4.23 -0.35 -4.98 115.64 105.68 3hxl s THR 334 Ca 0.56 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.93 3hxl s THR 334 Cb -0.18 -2.38 0.04 0.00 1.34 0.00 0.00 72.50 71.32 3hxl s THR 334 CO 0.23 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.11 3hxl h ALA 335 N 1.85 0.57 0.00 3.99 0.00 -2.00 -2.62 119.26 121.05 3hxl h ALA 335 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3hxl h ALA 335 Cb 1.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3hxl h ALA 335 CO 0.55 -0.05 0.00 -0.44 0.00 0.00 0.00 179.25 179.32 3hxl h ASP 336 N 0.54 0.00 -2.61 0.00 3.32 -2.02 -3.38 116.42 112.27 3hxl h ASP 336 Ca 0.18 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.64 3hxl h ASP 336 Cb 0.01 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.17 3hxl h ASP 336 CO -0.08 0.00 -0.88 -0.75 -1.72 0.00 0.00 179.24 175.81 3hxl s LYS 337 N -3.33 0.97 0.75 3.56 2.20 -1.00 -5.08 119.74 117.80 3hxl s LYS 337 Ca 0.06 -1.97 -0.13 0.00 -0.36 0.00 0.00 55.97 53.56 3hxl s LYS 337 Cb 0.07 -1.64 0.18 0.00 -1.51 0.00 0.00 37.83 34.92 3hxl s LYS 337 CO 0.62 -1.30 0.79 0.41 -0.36 0.00 0.00 175.35 175.51 3hxl n GLY 338 N 3.19 -2.14 0.31 5.54 0.00 -1.12 -1.21 105.19 109.75 3hxl n GLY 338 Ca 0.22 -1.57 0.18 0.00 0.00 0.00 0.00 46.02 44.85 3hxl n GLY 338 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hxl h LYS 339 N 0.00 0.00 -0.13 1.61 2.10 -1.96 -2.08 116.57 116.11 3hxl h LYS 339 Ca -0.28 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.38 3hxl h LYS 339 Cb 0.82 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.14 3hxl h LYS 339 CO 0.19 0.00 0.08 -0.56 -2.00 0.00 0.00 179.45 177.16 3hxl h GLN 340 N 0.00 0.14 0.00 0.07 -0.00 -1.94 -1.26 115.11 112.12 3hxl h GLN 340 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 3hxl h GLN 340 Cb 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.45 3hxl h GLN 340 CO 0.00 0.09 0.00 1.19 -0.00 0.00 0.00 178.83 180.11 3hxl n PHE 341 N -4.52 0.34 0.63 0.06 3.01 -0.78 -1.97 117.46 114.22 3hxl n PHE 341 Ca -0.01 0.15 0.13 0.00 1.01 0.00 0.00 57.45 58.72 3hxl n PHE 341 Cb 0.10 -0.73 0.36 0.00 -0.01 0.00 0.00 39.48 39.20 3hxl n PHE 341 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hxl n ALA 342 N -1.62 2.43 -2.67 4.37 0.00 -0.48 -4.76 120.51 117.78 3hxl n ALA 342 Ca 0.02 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 3hxl n ALA 342 Cb 0.14 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 3hxl n ALA 342 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hxl s LYS 343 N -3.11 4.28 0.48 0.00 1.02 -0.83 -0.61 119.74 120.96 3hxl s LYS 343 Ca 0.10 0.87 0.17 0.00 0.02 0.00 0.00 55.97 57.13 3hxl s LYS 343 Cb 0.13 -3.56 1.14 0.00 -0.52 0.00 0.00 37.83 35.01 3hxl s LYS 343 CO 0.62 -0.27 2.04 -0.91 -0.92 0.00 0.00 175.35 175.92 3hxl h ASN 344 N 7.33 0.00 -0.13 2.83 2.35 -1.70 -1.45 115.58 124.81 3hxl h ASN 344 Ca -0.31 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.32 3hxl h ASN 344 Cb 1.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 3hxl h ASN 344 CO 0.81 0.14 -0.31 -0.09 -1.65 0.00 0.00 177.43 176.33 3hxl h ARG 345 N 0.00 0.62 -0.47 0.81 2.43 -1.81 0.12 114.38 116.08 3hxl h ARG 345 Ca -0.00 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 58.87 3hxl h ARG 345 Cb 0.25 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3hxl h ARG 345 CO 0.02 0.85 0.17 0.28 -1.51 0.00 0.00 179.97 179.77 3hxl h VAL 346 N 0.53 1.22 -0.93 0.20 2.07 -1.57 -1.71 116.25 116.06 3hxl h VAL 346 Ca 0.06 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 3hxl h VAL 346 Cb 0.79 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3hxl h VAL 346 CO 0.06 0.26 0.56 0.40 0.02 0.00 0.00 177.57 178.87 3hxl h ILE 347 N 0.62 1.25 -0.62 4.57 1.08 -1.00 -1.31 117.51 122.10 3hxl h ILE 347 Ca 0.15 -0.55 -0.02 0.00 -0.39 0.00 0.00 64.86 64.05 3hxl h ILE 347 Cb 0.23 -0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 33.90 3hxl h ILE 347 CO -0.01 0.27 0.29 0.03 -0.69 0.00 0.00 178.15 178.04 3hxl h ARG 348 N 1.28 0.90 -0.44 2.37 3.08 -0.49 0.32 114.38 121.40 3hxl h ARG 348 Ca 0.33 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 60.11 3hxl h ARG 348 Cb -0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3hxl h ARG 348 CO -0.06 0.73 -0.26 -0.24 -1.07 0.00 0.00 179.97 179.07 3hxl h VAL 349 N 0.86 1.27 -0.32 2.04 3.04 -0.93 -0.42 116.25 121.79 3hxl h VAL 349 Ca 0.21 -1.42 -0.16 0.00 -1.01 0.00 0.00 66.70 64.32 3hxl h VAL 349 Cb 0.13 1.24 -0.00 0.00 -2.01 0.00 0.00 31.29 30.64 3hxl h VAL 349 CO -0.03 0.48 -0.42 -0.07 -1.01 0.00 0.00 177.57 176.53 3hxl h LEU 350 N 0.78 0.93 -1.19 3.16 3.38 -1.08 -1.12 115.31 120.17 3hxl h LEU 350 Ca 0.09 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 3hxl h LEU 350 Cb 0.84 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3hxl h LEU 350 CO 0.07 1.24 -0.16 0.44 0.09 0.00 0.00 178.44 180.13 3hxl h ASP 351 N 0.64 0.35 -0.46 -0.43 3.32 -0.34 -0.77 116.42 118.74 3hxl h ASP 351 Ca 0.04 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 3hxl h ASP 351 Cb 1.02 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 3hxl h ASP 351 CO 0.10 0.54 0.08 1.23 -1.72 0.00 0.00 179.24 179.47 3hxl h GLY 352 N 0.89 0.81 0.96 2.75 0.00 -0.76 0.17 103.07 107.89 3hxl h GLY 352 Ca 0.06 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 3hxl h GLY 352 CO 0.03 0.50 0.17 -2.22 0.00 0.00 0.00 176.54 175.01 3hxl h ILE 353 N 0.62 1.13 0.56 2.60 2.04 -0.75 0.88 117.51 124.59 3hxl h ILE 353 Ca 0.14 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 3hxl h ILE 353 Cb 0.37 0.80 0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3hxl h ILE 353 CO 0.01 0.13 -0.27 -1.13 0.00 0.00 0.00 178.15 176.89 3hxl h ASN 354 N 0.38 -0.64 -0.52 1.72 -1.24 -0.91 -0.82 115.58 113.55 3hxl h ASN 354 Ca 0.11 0.02 0.07 0.00 0.71 0.00 0.00 56.30 57.21 3hxl h ASN 354 Cb 0.06 0.17 -0.06 0.00 0.73 0.00 0.00 38.32 39.22 3hxl h ASN 354 CO -0.02 -0.45 0.19 0.78 -1.29 0.00 0.00 177.43 176.64 3hxl h ASN 355 N -0.76 0.19 0.08 1.15 -0.26 -0.70 -0.92 115.58 114.37 3hxl h ASN 355 Ca -0.08 0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 55.72 3hxl h ASN 355 Cb 0.58 0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.88 3hxl h ASN 355 CO 0.13 0.13 -0.04 0.44 -1.06 0.00 0.00 177.43 177.03 3hxl h ASP 356 N 0.37 -0.09 -0.17 5.81 3.32 -0.86 -1.88 116.42 122.92 3hxl h ASP 356 Ca 0.25 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.24 3hxl h ASP 356 Cb 0.27 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.79 3hxl h ASP 356 CO -0.25 0.05 -0.18 -0.26 -1.72 0.00 0.00 179.24 176.88 3hxl h PHE 357 N -0.23 -0.46 -0.99 4.55 -1.00 -0.85 0.37 116.94 118.33 3hxl h PHE 357 Ca -0.01 0.03 0.15 0.00 2.81 0.00 0.00 57.97 60.95 3hxl h PHE 357 Cb 0.19 0.23 -0.09 0.00 3.61 0.00 0.00 35.95 39.88 3hxl h PHE 357 CO -0.03 -0.25 0.61 0.28 -1.61 0.00 0.00 178.31 177.30 3hxl h VAL 358 N -0.20 0.82 -0.08 -0.55 2.07 -1.10 0.90 116.25 118.11 3hxl h VAL 358 Ca 0.11 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3hxl h VAL 358 Cb 0.37 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3hxl h VAL 358 CO -0.29 0.16 -0.15 -0.09 0.02 0.00 0.00 177.57 177.22 3hxl h ARG 359 N 0.87 0.24 -0.40 1.57 2.43 -0.33 -2.25 114.38 116.52 3hxl h ARG 359 Ca 0.53 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 3hxl h ARG 359 Cb 0.66 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 3hxl h ARG 359 CO -0.32 0.74 0.16 0.82 -1.51 0.00 0.00 179.97 179.86 3hxl h ILE 360 N -0.22 1.19 -0.23 1.20 1.08 0.28 -1.98 117.51 118.83 3hxl h ILE 360 Ca 0.00 -0.59 -0.08 0.00 -0.39 0.00 0.00 64.86 63.81 3hxl h ILE 360 Cb 0.72 0.84 -0.00 0.00 -3.07 0.00 0.00 36.82 35.31 3hxl h ILE 360 CO 0.03 0.21 -0.16 -0.26 -0.69 0.00 0.00 178.15 177.28 3hxl h PHE 361 N 0.50 0.61 0.00 1.37 0.04 -0.93 -1.29 116.94 117.23 3hxl h PHE 361 Ca 0.13 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 3hxl h PHE 361 Cb 0.18 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 3hxl h PHE 361 CO -0.00 0.82 -0.09 0.77 -0.60 0.00 0.00 178.31 179.21 3hxl h SER 362 N 0.22 0.00 0.00 2.17 0.02 -1.39 -1.41 113.55 113.16 3hxl h SER 362 Ca 0.04 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.73 3hxl h SER 362 Cb 0.69 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 3hxl h SER 362 CO 0.04 0.09 -1.72 0.29 -1.14 0.00 0.00 176.83 174.40 3hxl n LYS 363 N -3.33 0.56 0.00 3.45 4.76 -0.75 -4.64 118.16 118.22 3hxl n LYS 363 Ca -0.01 0.34 0.13 0.00 -2.87 0.00 0.00 58.31 55.90 3hxl n LYS 363 Cb 0.28 -1.55 0.28 0.00 -1.84 0.00 0.00 35.03 32.20 3hxl n LYS 363 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3hxl n PHE 364 N -4.37 0.00 -4.33 2.13 3.72 -0.49 -5.10 117.46 109.02 3hxl n PHE 364 Ca -0.36 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 56.87 3hxl n PHE 364 Cb 0.69 -0.07 -0.10 0.00 -0.94 0.00 0.00 39.48 39.06 3hxl n PHE 364 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3hxl s TYR 365 N -2.42 1.56 0.20 1.38 1.51 -0.53 -5.03 117.35 114.03 3hxl s TYR 365 Ca 0.24 -0.80 -0.10 0.00 -1.01 0.00 0.00 57.07 55.41 3hxl s TYR 365 Cb 0.19 -0.85 -0.07 0.00 -0.11 0.00 0.00 41.96 41.12 3hxl s TYR 365 CO 0.50 0.10 0.52 -1.12 -1.11 0.00 0.00 175.55 174.44 3hxl s SER 370 N -3.29 6.63 -1.36 2.29 0.01 -1.26 -4.97 113.70 111.75 3hxl s SER 370 Ca 0.25 0.89 -0.15 0.00 1.31 0.00 0.00 55.95 58.25 3hxl s SER 370 Cb 0.04 -2.21 0.08 0.00 0.21 0.00 0.00 66.02 64.13 3hxl s SER 370 CO 0.07 -0.03 1.94 -3.20 0.41 0.00 0.00 173.24 172.43 3hxl n ASN 371 N 0.03 4.53 -3.94 2.44 5.15 -1.26 -4.34 115.26 117.87 3hxl n ASN 371 Ca -0.01 -2.92 -0.21 0.00 -0.60 0.00 0.00 54.58 50.84 3hxl n ASN 371 Cb 0.52 -1.65 -0.09 0.00 -0.53 0.00 0.00 39.78 38.03 3hxl n ASN 371 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3hxl s ASN 372 N 3.16 1.99 0.16 1.20 6.03 -1.26 -4.97 114.94 121.25 3hxl s ASN 372 Ca 0.48 -1.62 -0.24 0.00 -1.03 0.00 0.00 52.86 50.45 3hxl s ASN 372 Cb 0.08 0.44 0.04 0.00 -3.03 0.00 0.00 41.25 38.78 3hxl s ASN 372 CO -0.01 -0.92 1.60 0.00 -2.03 0.00 0.00 177.10 175.74 3hxl h ALA 373 N 2.06 -0.22 -0.46 3.54 0.00 -1.99 -0.53 119.26 121.65 3hxl h ALA 373 Ca -0.33 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 3hxl h ALA 373 Cb 1.25 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 3hxl h ALA 373 CO 0.51 -0.74 -0.08 -0.44 0.00 0.00 0.00 179.25 178.50 3hxl h ASP 374 N -0.28 0.88 -0.42 0.00 3.32 -1.97 -1.57 116.42 116.37 3hxl h ASP 374 Ca 0.16 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 56.87 3hxl h ASP 374 Cb 0.54 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3hxl h ASP 374 CO -0.51 1.02 0.26 1.23 -1.72 0.00 0.00 179.24 179.52 3hxl h GLY 375 N 0.72 0.59 1.48 2.75 0.00 -1.68 -1.16 103.07 105.79 3hxl h GLY 375 Ca 0.12 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 3hxl h GLY 375 CO 0.04 0.18 -0.14 3.21 0.00 0.00 0.00 176.54 179.83 3hxl h ARG 376 N 0.52 0.61 -0.51 4.80 3.08 -1.01 -2.39 114.38 119.48 3hxl h ARG 376 Ca 0.17 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3hxl h ARG 376 Cb -0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3hxl h ARG 376 CO -0.07 0.74 0.10 -0.91 -1.07 0.00 0.00 179.97 178.76 3hxl h ASN 377 N 0.56 0.80 -0.59 7.04 -0.26 -0.88 -0.93 115.58 121.33 3hxl h ASN 377 Ca 0.10 -0.25 -0.08 0.00 -0.56 0.00 0.00 56.30 55.50 3hxl h ASN 377 Cb 0.57 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 3hxl h ASN 377 CO 0.04 0.85 0.05 0.25 -1.06 0.00 0.00 177.43 177.55 3hxl h LEU 378 N 0.73 1.00 -0.54 1.61 5.85 -1.03 -0.74 115.31 122.18 3hxl h LEU 378 Ca 0.16 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 3hxl h LEU 378 Cb 0.38 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3hxl h LEU 378 CO 0.01 1.02 -0.03 0.25 -0.34 0.00 0.00 178.44 179.35 3hxl h LEU 379 N 0.96 0.96 -0.69 2.25 6.46 -1.30 -1.94 115.31 122.01 3hxl h LEU 379 Ca 0.18 -0.32 -0.01 0.00 -0.12 0.00 0.00 57.88 57.61 3hxl h LEU 379 Cb 0.49 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.12 3hxl h LEU 379 CO 0.02 1.05 0.38 0.50 -0.62 0.00 0.00 178.44 179.77 3hxl h LYS 380 N 0.85 0.96 -0.63 1.25 3.64 -0.83 -1.84 116.57 119.98 3hxl h LYS 380 Ca 0.15 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3hxl h LYS 380 Cb 0.57 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 3hxl h LYS 380 CO 0.03 0.72 0.20 1.03 -2.27 0.00 0.00 179.45 179.16 3hxl h SER 381 N 0.95 0.91 0.02 4.20 0.87 -0.91 -1.10 113.55 118.49 3hxl h SER 381 Ca 0.24 -0.20 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 3hxl h SER 381 Cb 0.03 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 3hxl h SER 381 CO -0.04 0.87 -0.27 -0.33 -0.53 0.00 0.00 176.83 176.53 3hxl h GLU 382 N 0.90 0.39 -0.19 2.24 4.39 -1.06 -1.55 114.58 119.70 3hxl h GLU 382 Ca 0.20 -0.15 -0.21 0.00 0.34 0.00 0.00 59.36 59.55 3hxl h GLU 382 Cb 0.28 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3hxl h GLU 382 CO -0.01 0.63 -0.71 0.00 -1.16 0.00 0.00 179.01 177.77 3hxl h ILE 384 N 0.57 1.10 -0.84 0.00 1.08 -1.03 -1.96 117.51 116.42 3hxl h ILE 384 Ca -0.03 -0.21 0.02 0.00 -0.39 0.00 0.00 64.86 64.24 3hxl h ILE 384 Cb 1.33 0.70 -0.04 0.00 -3.07 0.00 0.00 36.82 35.74 3hxl h ILE 384 CO 0.15 0.09 0.56 0.78 -0.69 0.00 0.00 178.15 179.04 3hxl h ASN 385 N 0.39 0.95 0.00 1.72 2.35 -1.25 0.82 115.58 120.56 3hxl h ASN 385 Ca 0.11 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3hxl h ASN 385 Cb -0.01 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.13 3hxl h ASN 385 CO -0.02 0.68 0.00 0.00 -1.65 0.00 0.00 177.43 176.44 3hxl n TYR 386 N -4.42 0.00 0.00 1.19 9.36 -0.71 -1.78 117.16 120.81 3hxl n TYR 386 Ca 0.10 -0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.29 3hxl n TYR 386 Cb 0.05 -0.05 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 3hxl n TYR 386 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3hxl n ASN 388 N 0.51 0.00 -0.10 2.98 3.02 0.28 -2.12 115.26 119.82 3hxl n ASN 388 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 3hxl n ASN 388 Cb 0.07 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.37 3hxl n ASN 388 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3hxl h THR 389 N 0.00 1.25 -0.37 3.41 2.02 -1.60 -0.41 112.91 117.22 3hxl h THR 389 Ca 0.00 -1.13 -0.11 0.00 0.77 0.00 0.00 66.41 65.94 3hxl h THR 389 Cb 0.00 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3hxl h THR 389 CO 0.00 0.39 -0.21 -0.07 0.37 0.00 0.00 175.52 176.00 3hxl h LEU 390 N 0.71 0.72 -0.64 2.58 3.38 -1.72 -2.60 115.31 117.74 3hxl h LEU 390 Ca 0.12 -0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 3hxl h LEU 390 Cb 0.56 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3hxl h LEU 390 CO 0.03 0.92 -0.52 -0.61 0.09 0.00 0.00 178.44 178.35 3hxl h GLN 391 N 0.63 0.43 -0.19 1.13 4.15 -1.66 0.20 115.11 119.79 3hxl h GLN 391 Ca 0.09 -0.25 -0.07 0.00 0.77 0.00 0.00 58.65 59.19 3hxl h GLN 391 Cb 0.70 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 3hxl h GLN 391 CO 0.05 0.84 -0.18 -0.44 -1.93 0.00 0.00 178.83 177.18 3hxl h ASP 392 N 0.33 0.32 -0.45 -0.69 3.32 -0.83 -1.92 116.42 116.50 3hxl h ASP 392 Ca 0.01 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3hxl h ASP 392 Cb 1.02 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3hxl h ASP 392 CO 0.09 0.52 0.00 2.30 -1.72 0.00 0.00 179.24 180.43 3hxl n ILE 393 N -4.20 1.01 -3.14 0.35 -5.35 -1.00 -4.92 119.36 102.11 3hxl n ILE 393 Ca -0.00 -0.73 -0.23 0.00 -0.27 0.00 0.00 62.75 61.52 3hxl n ILE 393 Cb 0.32 0.11 0.05 0.00 -1.74 0.00 0.00 39.64 38.38 3hxl n ILE 393 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3hxl n ASP 394 N 0.76 -6.23 0.02 7.28 8.00 -0.72 -4.82 116.55 120.84 3hxl n ASP 394 Ca 0.17 -0.34 -0.16 0.00 0.71 0.00 0.00 54.79 55.17 3hxl n ASP 394 Cb 0.55 -5.01 -0.14 0.00 -0.02 0.00 0.00 41.12 36.51 3hxl n ASP 394 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hxl h ALA 395 N 1.01 0.45 -2.23 2.24 0.00 -0.83 -3.44 119.26 116.46 3hxl h ALA 395 Ca -0.54 -1.29 -0.39 0.00 0.00 0.00 0.00 54.91 52.69 3hxl h ALA 395 Cb 1.37 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 19.49 3hxl h ALA 395 CO 0.57 1.31 -0.61 0.96 0.00 0.00 0.00 179.25 181.48 3hxl s ILE 396 N -2.59 0.73 0.16 0.00 -4.36 -1.16 -2.48 121.20 111.50 3hxl s ILE 396 Ca -0.12 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.21 3hxl s ILE 396 Cb 0.07 -2.68 -0.02 0.00 1.25 0.00 0.00 42.46 41.08 3hxl s ILE 396 CO 0.82 0.00 0.20 -1.59 0.24 0.00 0.00 174.94 174.60 3hxl s LYS 397 N -3.98 1.09 -1.45 0.37 -2.85 0.81 -4.33 119.74 109.40 3hxl s LYS 397 Ca 0.37 -1.31 -0.09 0.00 -1.00 0.00 0.00 55.97 53.93 3hxl s LYS 397 Cb 0.08 0.32 0.05 0.00 -2.06 0.00 0.00 37.83 36.22 3hxl s LYS 397 CO 0.14 -0.37 0.75 0.09 0.10 0.00 0.00 175.35 176.06 3hxl n ASN 398 N -0.18 -5.03 -4.62 0.03 3.02 -1.26 -4.13 115.26 103.08 3hxl n ASN 398 Ca -0.06 -0.49 -0.40 0.00 -0.03 0.00 0.00 54.58 53.60 3hxl n ASN 398 Cb 0.63 -4.06 -0.08 0.00 -0.61 0.00 0.00 39.78 35.67 3hxl n ASN 398 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3hxl s PHE 399 N -3.15 3.28 -0.39 3.10 5.36 -1.26 -4.92 117.98 120.00 3hxl s PHE 399 Ca 0.47 0.63 -0.02 0.00 -0.96 0.00 0.00 56.93 57.06 3hxl s PHE 399 Cb -0.23 -2.70 0.10 0.00 -0.34 0.00 0.00 43.02 39.85 3hxl s PHE 399 CO 0.59 -0.25 0.16 0.34 -1.46 0.00 0.00 175.22 174.60 3hxl s ASP 400 N 1.49 5.16 0.39 6.13 -1.08 -1.26 -4.96 116.67 122.55 3hxl s ASP 400 Ca 0.21 -1.94 0.23 0.00 -0.52 0.00 0.00 52.55 50.53 3hxl s ASP 400 Cb -0.16 -1.79 1.26 0.00 -1.46 0.00 0.00 42.92 40.77 3hxl s ASP 400 CO 0.09 -0.49 1.68 1.23 0.52 0.00 0.00 175.17 178.21 3hxl h GLY 401 N 8.00 0.00 1.10 2.66 0.00 -1.95 0.28 103.07 113.15 3hxl h GLY 401 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3hxl h GLY 401 CO 0.66 0.00 -0.01 -1.06 0.00 0.00 0.00 176.54 176.13 3hxl n GLN 402 N -2.36 0.83 0.00 4.80 6.02 -1.26 -4.43 117.38 120.98 3hxl n GLN 402 Ca -0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3hxl n GLN 402 Cb 0.13 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.89 3hxl n GLN 402 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 3hxl n THR 403 N -1.03 0.00 1.44 5.09 5.66 -0.30 -4.96 114.28 120.18 3hxl n THR 403 Ca 0.20 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.26 3hxl n THR 403 Cb 0.18 0.00 0.23 0.00 -1.55 0.00 0.00 70.33 69.18 3hxl n THR 403 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3hxl n ASP 404 N 0.00 1.02 -3.65 1.09 10.43 0.82 -4.81 116.55 121.45 3hxl n ASP 404 Ca 0.00 -1.84 -0.07 0.00 2.57 0.00 0.00 54.79 55.45 3hxl n ASP 404 Cb 0.00 -0.11 -0.07 0.00 1.84 0.00 0.00 41.12 42.78 3hxl n ASP 404 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3hxl s LEU 405 N -1.22 -0.85 0.15 0.64 0.20 -1.26 -0.89 118.68 115.46 3hxl s LEU 405 Ca 0.20 1.42 0.01 0.00 0.69 0.00 0.00 54.13 56.45 3hxl s LEU 405 Cb 0.10 2.18 -0.04 0.00 -0.43 0.00 0.00 46.19 48.00 3hxl s LEU 405 CO 0.15 -0.23 -0.01 0.42 -0.29 0.00 0.00 176.35 176.39 3hxl s THR 406 N 1.86 0.62 -0.10 3.68 -4.23 0.13 -4.98 115.64 112.62 3hxl s THR 406 Ca -0.09 -1.96 -0.03 0.00 -1.18 0.00 0.00 61.69 58.43 3hxl s THR 406 Cb -0.07 -2.00 0.04 0.00 1.34 0.00 0.00 72.50 71.81 3hxl s THR 406 CO -0.18 -0.57 0.06 -0.69 -0.54 0.00 0.00 174.62 172.70 3hxl s VAL 407 N -3.69 -0.02 0.32 2.29 1.01 -1.26 -1.46 120.40 117.59 3hxl s VAL 407 Ca 0.21 0.14 0.10 0.00 0.00 0.00 0.00 61.98 62.42 3hxl s VAL 407 Cb 0.06 -0.39 -0.06 0.00 0.00 0.00 0.00 36.38 36.00 3hxl s VAL 407 CO 0.02 0.00 -0.07 -1.10 0.00 0.00 0.00 175.10 173.94 3hxl s GLN 408 N 2.12 1.92 0.00 2.72 1.11 0.03 -4.94 119.66 122.62 3hxl s GLN 408 Ca 0.04 -1.79 0.00 0.00 0.01 0.00 0.00 55.36 53.61 3hxl s GLN 408 Cb -0.14 -1.83 0.00 0.00 -1.01 0.00 0.00 33.01 30.03 3hxl s GLN 408 CO -0.06 0.20 0.00 0.45 0.01 0.00 0.00 175.29 175.89 3hxl n SER 409 N -0.82 -0.06 -0.70 5.90 2.88 -1.26 -0.77 113.62 118.78 3hxl n SER 409 Ca -0.05 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.17 3hxl n SER 409 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 3hxl n SER 409 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3hxl n ASP 412 N -1.05 0.00 0.01 -3.46 2.03 -1.26 -4.77 116.55 108.06 3hxl n ASP 412 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 3hxl n ASP 412 Cb 0.00 -1.05 0.26 0.00 -0.72 0.00 0.00 41.12 39.61 3hxl n ASP 412 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 3hxl h VAL 413 N 0.34 1.23 -0.48 5.18 3.04 -2.03 -3.17 116.25 120.35 3hxl h VAL 413 Ca 0.00 -0.99 -0.33 0.00 -1.01 0.00 0.00 66.70 64.37 3hxl h VAL 413 Cb 0.00 1.13 -0.23 0.00 -2.01 0.00 0.00 31.29 30.18 3hxl h VAL 413 CO 0.00 0.32 -0.45 -0.90 -1.01 0.00 0.00 177.57 175.53 3hxl n ASP 414 N -4.21 3.73 -4.35 3.17 3.85 -1.26 -4.70 116.55 112.78 3hxl n ASP 414 Ca 0.01 -3.81 -0.33 0.00 -0.71 0.00 0.00 54.79 49.95 3hxl n ASP 414 Cb 0.31 -0.50 -0.15 0.00 -1.35 0.00 0.00 41.12 39.43 3hxl n ASP 414 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hxl s ALA 415 N -3.45 2.49 -0.10 2.12 0.00 -1.20 -2.16 121.76 119.47 3hxl s ALA 415 Ca 0.47 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.53 3hxl s ALA 415 Cb 0.41 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 3hxl s ALA 415 CO -0.00 0.33 -0.22 0.08 0.00 0.00 0.00 175.76 175.95 3hxl s VAL 416 N 0.09 2.30 -0.11 0.00 1.01 0.36 -4.58 120.40 119.47 3hxl s VAL 416 Ca -0.08 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 60.98 3hxl s VAL 416 Cb -0.15 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 3hxl s VAL 416 CO 0.05 0.55 -0.16 -0.31 0.00 0.00 0.00 175.10 175.24 3hxl s TYR 417 N 0.25 2.73 -0.11 5.22 2.02 0.05 -0.57 117.35 126.94 3hxl s TYR 417 Ca -0.15 -0.66 0.03 0.00 -0.37 0.00 0.00 57.07 55.93 3hxl s TYR 417 Cb -0.17 -1.78 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 3hxl s TYR 417 CO 0.07 -0.20 -0.22 0.42 -1.57 0.00 0.00 175.55 174.05 3hxl s ILE 418 N 0.19 1.98 -0.07 2.71 1.01 0.50 -0.79 121.20 126.73 3hxl s ILE 418 Ca -0.09 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.65 3hxl s ILE 418 Cb -0.16 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 3hxl s ILE 418 CO 0.06 0.54 -0.24 -1.61 0.00 0.00 0.00 174.94 173.68 3hxl s GLU 419 N 0.53 2.65 0.15 2.79 2.02 -0.54 -0.10 118.70 126.21 3hxl s GLU 419 Ca -0.15 -0.87 -0.10 0.00 0.02 0.00 0.00 54.97 53.87 3hxl s GLU 419 Cb -0.17 -2.16 -0.00 0.00 0.10 0.00 0.00 34.13 31.90 3hxl s GLU 419 CO 0.05 0.30 0.30 0.00 0.02 0.00 0.00 175.26 175.93 3hxl s ALA 420 N 0.02 -0.19 -0.13 5.21 0.00 -0.28 -0.69 121.76 125.71 3hxl s ALA 420 Ca -0.09 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.18 3hxl s ALA 420 Cb -0.15 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.76 3hxl s ALA 420 CO 0.05 -0.64 -0.20 0.71 0.00 0.00 0.00 175.76 175.68 3hxl s TYR 421 N -3.93 2.47 -0.07 0.00 2.02 -0.07 -0.82 117.35 116.96 3hxl s TYR 421 Ca 0.13 -1.21 0.05 0.00 -0.37 0.00 0.00 57.07 55.67 3hxl s TYR 421 Cb 0.03 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.88 3hxl s TYR 421 CO -0.03 -0.56 -0.23 0.00 -1.57 0.00 0.00 175.55 173.15 3hxl s ALA 422 N 0.83 2.06 -0.42 3.71 0.00 -0.11 -4.92 121.76 122.92 3hxl s ALA 422 Ca -0.08 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 50.92 3hxl s ALA 422 Cb -0.15 -0.69 0.11 0.00 0.00 0.00 0.00 23.12 22.39 3hxl s ALA 422 CO -0.01 0.35 0.19 -0.46 0.00 0.00 0.00 175.76 175.83 3hxl s TRP 423 N 0.05 3.59 0.42 0.00 -0.11 -1.26 0.18 118.94 121.81 3hxl s TRP 423 Ca -0.09 -2.68 -0.26 0.00 1.22 0.00 0.00 56.10 54.28 3hxl s TRP 423 Cb -0.15 -3.11 -0.09 0.00 -1.50 0.00 0.00 33.47 28.62 3hxl s TRP 423 CO 0.05 -0.94 1.43 -2.14 -4.62 0.00 0.00 176.95 170.74 3hxl s PRO 424 N 0.83 3.89 0.29 5.86 0.02 -1.26 -0.13 135.00 144.49 3hxl s PRO 424 Ca 0.11 2.45 0.01 0.00 0.02 0.00 0.00 61.00 63.59 3hxl s PRO 424 Cb -0.22 -2.79 0.55 0.00 0.02 0.00 0.00 34.50 32.06 3hxl s PRO 424 CO -0.05 -0.66 1.86 -0.39 -0.33 0.00 0.00 177.00 177.43 3hxl h VAL 425 N 2.59 0.96 -1.43 3.83 -1.51 -1.78 -2.60 116.25 116.32 3hxl h VAL 425 Ca -0.51 -0.34 -0.69 0.00 -1.23 0.00 0.00 66.70 63.93 3hxl h VAL 425 Cb 1.25 -0.13 -0.18 0.00 -2.13 0.00 0.00 31.29 30.10 3hxl h VAL 425 CO 0.62 0.18 1.46 -0.90 -1.23 0.00 0.00 177.57 177.71 3hxl n ASP 426 N -4.57 7.44 -3.56 4.19 5.75 -1.26 -4.80 116.55 119.74 3hxl n ASP 426 Ca 0.17 -3.34 -0.00 0.00 -0.01 0.00 0.00 54.79 51.61 3hxl n ASP 426 Cb 0.31 -1.26 -0.06 0.00 -1.03 0.00 0.00 41.12 39.09 3hxl n ASP 426 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3hxl s SER 427 N -0.11 -0.43 -0.21 -1.12 0.15 -0.98 -4.94 113.70 106.06 3hxl s SER 427 Ca 0.52 0.65 0.08 0.00 0.70 0.00 0.00 55.95 57.91 3hxl s SER 427 Cb 0.27 1.28 0.57 0.00 -1.71 0.00 0.00 66.02 66.43 3hxl s SER 427 CO -0.17 -0.10 1.47 2.30 1.20 0.00 0.00 173.24 177.94 3hxl n ILE 428 N 3.96 2.15 -3.96 6.45 -0.00 -1.26 -4.60 119.36 122.10 3hxl n ILE 428 Ca -0.15 -1.11 -0.16 0.00 -0.00 0.00 0.00 62.75 61.33 3hxl n ILE 428 Cb 0.56 -0.41 -0.16 0.00 -0.00 0.00 0.00 39.64 39.63 3hxl n ILE 428 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 3hxl s GLU 429 N -2.30 0.31 0.62 6.28 2.12 -1.26 -5.15 118.70 119.32 3hxl s GLU 429 Ca 0.40 0.02 -0.17 0.00 0.36 0.00 0.00 54.97 55.58 3hxl s GLU 429 Cb 0.31 -0.43 -0.02 0.00 0.26 0.00 0.00 34.13 34.25 3hxl s GLU 429 CO 0.11 -0.08 1.13 0.15 -0.54 0.00 0.00 175.26 176.02 3hxl s LYS 430 N 0.74 2.95 -0.10 4.30 1.02 -1.26 -4.64 119.74 122.75 3hxl s LYS 430 Ca -0.08 1.52 0.03 0.00 0.02 0.00 0.00 55.97 57.47 3hxl s LYS 430 Cb -0.11 -1.96 -0.01 0.00 -0.52 0.00 0.00 37.83 35.24 3hxl s LYS 430 CO -0.01 -1.15 -0.21 0.42 -0.92 0.00 0.00 175.35 173.48 3hxl s ILE 431 N -2.07 2.36 -0.01 2.17 1.01 0.13 -4.95 121.20 119.84 3hxl s ILE 431 Ca 0.70 -0.92 -0.27 0.00 0.00 0.00 0.00 60.65 60.16 3hxl s ILE 431 Cb -0.23 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3hxl s ILE 431 CO 0.36 0.55 0.87 -0.47 0.00 0.00 0.00 174.94 176.26 3hxl s TYR 432 N 0.20 3.65 -0.17 3.97 5.04 -1.26 -0.93 117.35 127.85 3hxl s TYR 432 Ca -0.13 1.55 0.01 0.00 -2.44 0.00 0.00 57.07 56.06 3hxl s TYR 432 Cb -0.16 -2.99 0.02 0.00 0.35 0.00 0.00 41.96 39.18 3hxl s TYR 432 CO 0.07 0.06 -0.18 0.08 -1.34 0.00 0.00 175.55 174.24 3hxl s VAL 433 N 0.77 1.91 -0.17 3.14 1.01 0.00 -4.98 120.40 122.08 3hxl s VAL 433 Ca 0.46 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3hxl s VAL 433 Cb -0.20 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.45 3hxl s VAL 433 CO 0.25 0.52 -0.18 -0.60 0.00 0.00 0.00 175.10 175.09 3hxl s ARG 434 N 1.29 3.10 -0.14 2.72 3.52 -1.26 -1.12 118.95 127.05 3hxl s ARG 434 Ca 0.03 -0.79 -0.00 0.00 -0.13 0.00 0.00 55.73 54.84 3hxl s ARG 434 Cb -0.13 -2.60 -0.01 0.00 -1.56 0.00 0.00 34.95 30.65 3hxl s ARG 434 CO -0.11 -0.10 -0.13 0.08 -0.81 0.00 0.00 175.30 174.23 3hxl s VAL 435 N 1.06 2.99 -0.23 7.11 1.01 0.86 -4.97 120.40 128.23 3hxl s VAL 435 Ca -0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 3hxl s VAL 435 Cb -0.14 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 33.99 3hxl s VAL 435 CO -0.06 0.52 -0.10 -0.60 0.00 0.00 0.00 175.10 174.86 3hxl s ARG 436 N 0.52 2.89 -0.11 2.72 3.52 -1.26 -0.37 118.95 126.86 3hxl s ARG 436 Ca -0.09 -0.93 0.02 0.00 -0.13 0.00 0.00 55.73 54.60 3hxl s ARG 436 Cb -0.16 -2.87 -0.01 0.00 -1.56 0.00 0.00 34.95 30.35 3hxl s ARG 436 CO 0.04 -0.34 -0.17 0.42 -0.81 0.00 0.00 175.30 174.44 3hxl s ILE 437 N 1.31 2.75 0.03 4.11 1.01 0.26 -4.99 121.20 125.68 3hxl s ILE 437 Ca 0.01 -0.79 0.09 0.00 0.00 0.00 0.00 60.65 59.97 3hxl s ILE 437 Cb -0.16 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 3hxl s ILE 437 CO -0.07 0.55 -0.26 -0.75 0.00 0.00 0.00 174.94 174.41 3hxl s LYS 438 N 0.14 1.86 0.00 2.79 2.20 -1.26 -0.49 119.74 124.99 3hxl s LYS 438 Ca -0.09 -1.05 0.00 0.00 -0.36 0.00 0.00 55.97 54.47 3hxl s LYS 438 Cb -0.15 -1.97 0.00 0.00 -1.51 0.00 0.00 37.83 34.20 3hxl s LYS 438 CO 0.05 0.52 0.27 1.28 -0.36 0.00 0.00 175.35 177.11