#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf2 n PRO 6 N 0.00 0.18 -3.69 2.12 -0.02 -1.26 -4.69 135.00 127.64 3hf2 n PRO 6 Ca 0.00 0.13 -0.12 0.00 -2.02 0.00 0.00 63.50 61.49 3hf2 n PRO 6 Cb 0.00 -2.24 -0.09 0.00 -0.02 0.00 0.00 33.50 31.15 3hf2 n PRO 6 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3hf2 s GLN 7 N -3.74 0.58 1.05 -0.52 0.74 -1.26 -1.38 119.66 115.13 3hf2 s GLN 7 Ca 0.70 0.80 -0.16 0.00 0.05 0.00 0.00 55.36 56.75 3hf2 s GLN 7 Cb -0.30 0.22 0.22 0.00 1.10 0.00 0.00 33.01 34.25 3hf2 s GLN 7 CO 0.54 -0.10 1.20 -1.25 -0.55 0.00 0.00 175.29 175.13 3hf2 s PRO 8 N 0.64 0.02 0.35 1.67 0.04 -1.26 -4.94 135.00 131.52 3hf2 s PRO 8 Ca -0.03 -0.11 -0.28 0.00 0.04 0.00 0.00 61.00 60.62 3hf2 s PRO 8 Cb -0.05 -1.75 -0.12 0.00 0.04 0.00 0.00 34.50 32.63 3hf2 s PRO 8 CO -0.04 -2.88 1.41 0.36 0.04 0.00 0.00 177.00 175.89 3hf2 n LYS 9 N -4.16 2.44 -3.91 4.56 2.85 -1.26 -4.94 118.16 113.74 3hf2 n LYS 9 Ca 0.12 0.86 -0.21 0.00 -1.05 0.00 0.00 58.31 58.03 3hf2 n LYS 9 Cb 0.59 -2.53 -0.04 0.00 -0.65 0.00 0.00 35.03 32.40 3hf2 n LYS 9 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3hf2 s THR 10 N -1.01 3.77 -0.47 0.58 -4.23 -1.26 -4.61 115.64 108.41 3hf2 s THR 10 Ca 0.55 -1.40 0.08 0.00 -1.18 0.00 0.00 61.69 59.74 3hf2 s THR 10 Cb -0.52 -3.23 0.38 0.00 1.34 0.00 0.00 72.50 70.47 3hf2 s THR 10 CO 0.62 -0.23 0.96 0.49 -0.54 0.00 0.00 174.62 175.92 3hf2 n PHE 11 N -1.31 2.85 -1.25 3.99 3.01 0.11 -4.94 117.46 119.92 3hf2 n PHE 11 Ca -0.04 -3.57 0.00 0.00 1.01 0.00 0.00 57.45 54.86 3hf2 n PHE 11 Cb 0.59 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 3hf2 n PHE 11 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hf2 n GLY 12 N -0.20 3.17 0.07 1.37 0.00 -1.26 -2.07 105.19 106.27 3hf2 n GLY 12 Ca 0.30 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.18 3hf2 n GLY 12 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hf2 n GLU 13 N 13.81 0.09 0.00 1.61 0.28 -1.26 -1.77 120.64 133.40 3hf2 n GLU 13 Ca 0.00 0.41 0.13 0.00 -0.16 0.00 0.00 57.16 57.55 3hf2 n GLU 13 Cb 0.00 -1.70 0.48 0.00 1.43 0.00 0.00 31.44 31.65 3hf2 n GLU 13 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3hf2 n LEU 14 N -1.87 0.39 0.00 -1.84 4.77 -0.88 -4.64 117.00 112.93 3hf2 n LEU 14 Ca 0.02 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3hf2 n LEU 14 Cb 0.14 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3hf2 n LEU 14 CO 0.13 0.08 0.00 0.29 -1.33 0.00 0.00 177.39 176.56 3hf2 n LYS 15 N -1.26 0.00 0.01 3.23 5.02 -0.73 -1.95 118.16 122.47 3hf2 n LYS 15 Ca 0.09 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.51 3hf2 n LYS 15 Cb 0.32 0.00 0.29 0.00 -0.02 0.00 0.00 35.03 35.62 3hf2 n LYS 15 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hf2 n ASN 16 N 3.98 0.45 -0.30 4.39 5.03 0.77 0.07 115.26 129.65 3hf2 n ASN 16 Ca 0.00 -0.12 0.13 0.00 0.87 0.00 0.00 54.58 55.46 3hf2 n ASN 16 Cb 0.00 0.15 0.30 0.00 -1.02 0.00 0.00 39.78 39.20 3hf2 n ASN 16 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 3hf2 h LEU 17 N 0.00 0.12 -2.74 3.41 5.85 -1.30 -1.11 115.31 119.54 3hf2 h LEU 17 Ca 0.00 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3hf2 h LEU 17 Cb 0.52 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 3hf2 h LEU 17 CO 0.00 -0.10 -0.01 -0.65 -0.34 0.00 0.00 178.44 177.34 3hf2 h PRO 18 N 0.27 0.00 -0.00 5.25 0.11 -1.79 -0.53 132.00 135.31 3hf2 h PRO 18 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 3hf2 h PRO 18 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hf2 h PRO 18 CO -0.61 0.01 0.04 -0.07 -0.21 0.00 0.00 178.00 177.16 3hf2 h LEU 19 N 0.00 0.00 -0.90 2.35 3.38 -1.54 -0.79 115.31 117.82 3hf2 h LEU 19 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hf2 h LEU 19 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hf2 h LEU 19 CO 0.00 0.00 -0.40 0.18 0.09 0.00 0.00 178.44 178.32 3hf2 n LEU 20 N -3.15 1.79 -3.86 1.67 4.77 -0.21 -4.56 117.00 113.45 3hf2 n LEU 20 Ca -0.03 -0.63 -0.42 0.00 -0.03 0.00 0.00 56.01 54.90 3hf2 n LEU 20 Cb 0.11 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3hf2 n LEU 20 CO 0.20 0.33 2.44 -3.20 -1.33 0.00 0.00 177.39 175.84 3hf2 n ASN 21 N -0.14 4.25 -3.55 -1.43 5.15 -0.30 -4.78 115.26 114.45 3hf2 n ASN 21 Ca 0.10 -2.90 -0.11 0.00 -0.60 0.00 0.00 54.58 51.07 3hf2 n ASN 21 Cb 0.44 -1.63 -0.04 0.00 -0.53 0.00 0.00 39.78 38.02 3hf2 n ASN 21 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3hf2 s THR 22 N 2.74 0.04 0.24 -0.44 -1.32 -1.26 -5.04 115.64 110.60 3hf2 s THR 22 Ca 0.46 -0.34 0.23 0.00 -1.21 0.00 0.00 61.69 60.84 3hf2 s THR 22 Cb 0.12 -1.09 0.22 0.00 -1.51 0.00 0.00 72.50 70.23 3hf2 s THR 22 CO -0.05 -0.19 1.88 0.44 -2.21 0.00 0.00 174.62 174.49 3hf2 h ASP 23 N 2.24 0.00 -2.11 8.08 3.32 -1.98 -3.35 116.42 122.62 3hf2 h ASP 23 Ca -0.34 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.13 3hf2 h ASP 23 Cb 1.28 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.42 3hf2 h ASP 23 CO 0.43 0.23 -0.82 0.29 -1.72 0.00 0.00 179.24 177.65 3hf2 n LYS 24 N -3.54 1.78 -0.15 3.56 5.02 -1.26 -4.32 118.16 119.25 3hf2 n LYS 24 Ca -0.01 -4.05 -0.10 0.00 -2.02 0.00 0.00 58.31 52.13 3hf2 n LYS 24 Cb 0.39 -1.82 -0.01 0.00 -0.02 0.00 0.00 35.03 33.57 3hf2 n LYS 24 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3hf2 h PRO 25 N 4.00 0.77 -0.85 1.97 0.13 -1.87 0.12 132.00 136.27 3hf2 h PRO 25 Ca 0.14 -0.24 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 3hf2 h PRO 25 Cb 0.75 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.77 3hf2 h PRO 25 CO 0.67 0.84 0.42 0.28 -0.23 0.00 0.00 178.00 179.98 3hf2 h VAL 26 N 0.61 1.26 -0.41 1.56 2.07 -1.96 0.22 116.25 119.61 3hf2 h VAL 26 Ca 0.12 -0.71 -0.11 0.00 0.82 0.00 0.00 66.70 66.83 3hf2 h VAL 26 Cb 0.49 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3hf2 h VAL 26 CO 0.02 0.31 -0.16 1.56 0.02 0.00 0.00 177.57 179.31 3hf2 h GLN 27 N 1.20 0.84 -0.54 1.57 4.20 -1.92 0.90 115.11 121.37 3hf2 h GLN 27 Ca 0.29 -0.35 0.11 0.00 0.06 0.00 0.00 58.65 58.76 3hf2 h GLN 27 Cb 0.10 -0.03 -0.09 0.00 0.30 0.00 0.00 27.48 27.75 3hf2 h GLN 27 CO -0.04 0.99 -0.04 0.00 -0.67 0.00 0.00 178.83 179.07 3hf2 h ALA 28 N 0.83 0.47 -0.29 3.87 0.00 -0.36 -2.18 119.26 121.60 3hf2 h ALA 28 Ca 0.10 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3hf2 h ALA 28 Cb 0.72 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3hf2 h ALA 28 CO 0.05 -0.41 -0.16 -0.07 0.00 0.00 0.00 179.25 178.66 3hf2 h LEU 29 N 0.08 0.50 -0.51 0.00 3.38 0.14 -0.98 115.31 117.92 3hf2 h LEU 29 Ca 0.27 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hf2 h LEU 29 Cb 0.42 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3hf2 h LEU 29 CO -0.49 0.69 0.30 0.24 0.09 0.00 0.00 178.44 179.28 3hf2 h MET 30 N 0.47 0.69 -0.28 1.13 2.86 -0.42 -0.68 114.93 118.68 3hf2 h MET 30 Ca 0.08 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3hf2 h MET 30 Cb 0.56 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3hf2 h MET 30 CO 0.04 0.50 0.16 -0.22 1.06 0.00 0.00 176.91 178.45 3hf2 h LYS 31 N 0.68 0.40 -0.71 1.72 3.64 -1.01 -0.50 116.57 120.79 3hf2 h LYS 31 Ca 0.18 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 3hf2 h LYS 31 Cb -0.01 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.67 3hf2 h LYS 31 CO -0.03 0.34 0.37 0.82 -2.27 0.00 0.00 179.45 178.67 3hf2 h ILE 32 N 0.34 0.87 -0.59 2.00 2.04 -1.04 -2.16 117.51 118.98 3hf2 h ILE 32 Ca 0.10 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3hf2 h ILE 32 Cb 0.06 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 3hf2 h ILE 32 CO -0.02 0.12 0.28 0.00 0.00 0.00 0.00 178.15 178.53 3hf2 h ALA 33 N 1.42 1.38 -0.81 1.87 0.00 -0.52 -0.01 119.26 122.59 3hf2 h ALA 33 Ca 0.34 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.16 3hf2 h ALA 33 Cb 0.33 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3hf2 h ALA 33 CO -0.25 0.49 0.52 -0.44 0.00 0.00 0.00 179.25 179.57 3hf2 h ASP 34 N 0.84 0.88 0.09 0.00 3.32 -0.47 0.59 116.42 121.65 3hf2 h ASP 34 Ca 0.21 -0.01 -0.24 0.00 0.02 0.00 0.00 57.03 57.01 3hf2 h ASP 34 Cb 0.09 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.45 3hf2 h ASP 34 CO -0.03 0.61 -0.92 -0.33 -1.72 0.00 0.00 179.24 176.86 3hf2 h GLU 35 N 1.03 0.61 0.00 3.56 5.08 -0.93 -3.38 114.58 120.56 3hf2 h GLU 35 Ca 0.32 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3hf2 h GLU 35 Cb -0.03 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3hf2 h GLU 35 CO -0.10 1.21 -1.26 1.28 -1.00 0.00 0.00 179.01 179.14 3hf2 n LEU 36 N -3.84 0.35 0.00 1.33 4.77 -0.10 -5.10 117.00 114.40 3hf2 n LEU 36 Ca -0.08 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 3hf2 n LEU 36 Cb 0.82 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 3hf2 n LEU 36 CO 0.53 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3hf2 n GLY 37 N 1.49 -1.70 0.34 -0.72 0.00 0.19 -4.63 105.19 100.16 3hf2 n GLY 37 Ca -0.00 -1.89 0.22 0.00 0.00 0.00 0.00 46.02 44.35 3hf2 n GLY 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3hf2 h GLU 38 N 0.00 0.00 -2.69 1.61 4.11 -1.92 -3.43 114.58 112.25 3hf2 h GLU 38 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 3hf2 h GLU 38 Cb 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.00 3hf2 h GLU 38 CO 0.00 0.00 -0.27 -1.50 0.07 0.00 0.00 179.01 177.31 3hf2 s ILE 39 N -4.18 -0.01 0.02 -1.06 2.07 -1.25 -0.38 121.20 116.41 3hf2 s ILE 39 Ca -0.05 0.05 -0.01 0.00 -1.41 0.00 0.00 60.65 59.23 3hf2 s ILE 39 Cb 0.13 -0.59 -0.02 0.00 0.13 0.00 0.00 42.46 42.11 3hf2 s ILE 39 CO 0.42 0.02 -0.02 0.72 -1.91 0.00 0.00 174.94 174.17 3hf2 s PHE 40 N 0.81 0.23 0.02 3.50 -0.12 -0.75 -4.35 117.98 117.32 3hf2 s PHE 40 Ca -0.05 -0.47 -0.30 0.00 -0.05 0.00 0.00 56.93 56.06 3hf2 s PHE 40 Cb -0.06 -0.17 -0.05 0.00 -0.63 0.00 0.00 43.02 42.12 3hf2 s PHE 40 CO -0.06 -0.18 1.16 0.21 -0.05 0.00 0.00 175.22 176.29 3hf2 s LYS 41 N -1.36 4.44 -0.19 1.99 2.47 -0.48 -0.71 119.74 125.90 3hf2 s LYS 41 Ca -0.15 1.68 -0.00 0.00 -1.56 0.00 0.00 55.97 55.94 3hf2 s LYS 41 Cb -0.09 -3.42 0.01 0.00 -1.46 0.00 0.00 37.83 32.87 3hf2 s LYS 41 CO -0.01 -0.26 -0.17 0.12 0.16 0.00 0.00 175.35 175.19 3hf2 s PHE 42 N 1.32 2.82 -0.05 4.03 2.19 0.56 -4.24 117.98 124.61 3hf2 s PHE 42 Ca 0.57 -1.49 0.03 0.00 0.33 0.00 0.00 56.93 56.36 3hf2 s PHE 42 Cb -0.27 -1.96 -0.03 0.00 -1.31 0.00 0.00 43.02 39.46 3hf2 s PHE 42 CO 0.27 -0.75 -0.12 -1.21 1.83 0.00 0.00 175.22 175.24 3hf2 s GLU 43 N 1.32 2.56 0.19 10.12 2.02 -1.26 -0.80 118.70 132.85 3hf2 s GLU 43 Ca 0.05 -0.66 0.03 0.00 0.02 0.00 0.00 54.97 54.40 3hf2 s GLU 43 Cb -0.13 -2.44 -0.05 0.00 0.10 0.00 0.00 34.13 31.61 3hf2 s GLU 43 CO -0.11 0.63 -0.02 0.00 0.02 0.00 0.00 175.26 175.79 3hf2 s ALA 44 N -0.77 1.56 0.17 5.21 0.00 0.18 -0.16 121.76 127.94 3hf2 s ALA 44 Ca 0.12 -1.65 -0.31 0.00 0.00 0.00 0.00 51.96 50.13 3hf2 s ALA 44 Cb -0.11 0.45 -0.09 0.00 0.00 0.00 0.00 23.12 23.37 3hf2 s ALA 44 CO 0.01 -0.26 1.38 -2.14 0.00 0.00 0.00 175.76 174.76 3hf2 s PRO 45 N -3.87 4.33 0.00 0.00 0.02 -1.26 -1.86 135.00 132.36 3hf2 s PRO 45 Ca 0.25 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.40 3hf2 s PRO 45 Cb 0.05 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.38 3hf2 s PRO 45 CO 0.05 -0.38 0.00 0.41 -0.33 0.00 0.00 177.00 176.75 3hf2 n GLY 46 N 2.87 3.19 3.23 0.52 0.00 -1.26 -5.01 105.19 108.74 3hf2 n GLY 46 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 3hf2 n GLY 46 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hf2 s ARG 47 N -0.41 0.89 -0.01 1.61 1.70 -0.78 -5.16 118.95 116.79 3hf2 s ARG 47 Ca 0.00 -0.89 -0.02 0.00 -0.47 0.00 0.00 55.73 54.35 3hf2 s ARG 47 Cb 0.00 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 3hf2 s ARG 47 CO 0.00 -0.30 0.06 0.54 -1.08 0.00 0.00 175.30 174.52 3hf2 s VAL 48 N -3.81 0.03 0.21 4.99 0.11 -1.26 -0.65 120.40 120.02 3hf2 s VAL 48 Ca 0.04 -0.27 -0.02 0.00 -2.93 0.00 0.00 61.98 58.81 3hf2 s VAL 48 Cb 0.04 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.68 3hf2 s VAL 48 CO -0.11 -0.15 0.17 0.28 -3.33 0.00 0.00 175.10 171.97 3hf2 s THR 49 N -0.44 0.00 -0.10 5.04 -1.32 0.02 -4.55 115.64 114.29 3hf2 s THR 49 Ca -0.05 -1.94 0.01 0.00 -1.21 0.00 0.00 61.69 58.50 3hf2 s THR 49 Cb -0.03 -2.47 0.02 0.00 -1.51 0.00 0.00 72.50 68.51 3hf2 s THR 49 CO 0.00 0.00 -0.10 -0.13 -2.21 0.00 0.00 174.62 172.18 3hf2 s ARG 50 N -4.11 1.68 -0.20 7.08 0.52 -1.12 -0.32 118.95 122.48 3hf2 s ARG 50 Ca 0.37 -0.35 -0.17 0.00 -0.52 0.00 0.00 55.73 55.06 3hf2 s ARG 50 Cb 0.06 -1.57 -0.03 0.00 0.52 0.00 0.00 34.95 33.93 3hf2 s ARG 50 CO 0.12 -0.15 0.47 0.71 0.02 0.00 0.00 175.30 176.48 3hf2 s TYR 51 N 1.27 3.37 -0.12 -0.53 1.51 0.12 -0.84 117.35 122.13 3hf2 s TYR 51 Ca -0.03 0.72 -0.02 0.00 -1.01 0.00 0.00 57.07 56.73 3hf2 s TYR 51 Cb -0.14 -2.61 -0.03 0.00 -0.11 0.00 0.00 41.96 39.07 3hf2 s TYR 51 CO -0.04 -0.06 -0.06 -0.51 -1.11 0.00 0.00 175.55 173.77 3hf2 s LEU 52 N 1.50 3.17 0.00 -1.29 1.02 -0.20 -1.81 118.68 121.07 3hf2 s LEU 52 Ca 0.22 -0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.27 3hf2 s LEU 52 Cb -0.15 -1.73 0.00 0.00 0.02 0.00 0.00 46.19 44.33 3hf2 s LEU 52 CO 0.09 0.25 0.00 -1.20 0.02 0.00 0.00 176.35 175.51 3hf2 n SER 53 N 2.98 1.51 -4.89 2.29 7.64 0.49 -1.54 113.62 122.10 3hf2 n SER 53 Ca -0.18 -0.14 -0.34 0.00 1.01 0.00 0.00 58.87 59.22 3hf2 n SER 53 Cb 0.53 0.58 -0.05 0.00 -1.01 0.00 0.00 64.21 64.26 3hf2 n SER 53 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3hf2 s SER 54 N -0.88 6.45 0.40 6.43 1.04 -1.25 -2.40 113.70 123.49 3hf2 s SER 54 Ca 0.00 0.49 0.14 0.00 0.48 0.00 0.00 55.95 57.06 3hf2 s SER 54 Cb 0.00 -2.06 0.97 0.00 0.10 0.00 0.00 66.02 65.03 3hf2 s SER 54 CO 0.00 0.26 1.88 -0.61 0.98 0.00 0.00 173.24 175.74 3hf2 h GLN 55 N 3.94 0.50 -0.76 4.02 -0.00 -1.88 -1.20 115.11 119.74 3hf2 h GLN 55 Ca -0.50 -0.03 0.04 0.00 -0.00 0.00 0.00 58.65 58.16 3hf2 h GLN 55 Cb 1.19 -0.11 -0.05 0.00 0.00 0.00 0.00 27.48 28.51 3hf2 h GLN 55 CO 0.67 0.33 0.47 -0.09 0.00 0.00 0.00 178.83 180.21 3hf2 h ARG 56 N 0.52 0.87 0.06 1.69 2.43 -1.94 -0.29 114.38 117.71 3hf2 h ARG 56 Ca 0.44 -0.05 -0.31 0.00 -0.81 0.00 0.00 59.98 59.25 3hf2 h ARG 56 Cb 0.91 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 3hf2 h ARG 56 CO -0.18 0.58 -1.72 -0.07 -1.51 0.00 0.00 179.97 177.07 3hf2 h LEU 57 N 0.90 0.18 -1.49 3.80 3.38 -1.88 -3.37 115.31 116.83 3hf2 h LEU 57 Ca 0.31 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3hf2 h LEU 57 Cb 0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3hf2 h LEU 57 CO -0.13 1.31 -0.26 0.40 0.09 0.00 0.00 178.44 179.85 3hf2 h ILE 58 N 0.03 1.03 0.00 1.22 2.04 -0.99 -1.74 117.51 119.10 3hf2 h ILE 58 Ca -0.30 -0.95 -0.06 0.00 1.00 0.00 0.00 64.86 64.55 3hf2 h ILE 58 Cb 2.01 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.61 3hf2 h ILE 58 CO 0.10 0.26 -0.27 0.07 0.00 0.00 0.00 178.15 178.31 3hf2 h LYS 59 N 0.00 0.00 0.22 2.37 2.10 -1.21 -0.20 116.57 119.85 3hf2 h LYS 59 Ca -0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.33 3hf2 h LYS 59 Cb 0.51 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.87 3hf2 h LYS 59 CO 0.03 0.27 -1.41 0.93 -2.00 0.00 0.00 179.45 177.27 3hf2 h GLU 60 N 0.00 0.47 -0.25 0.07 5.08 -1.53 -3.24 114.58 115.17 3hf2 h GLU 60 Ca -0.00 -0.79 0.02 0.00 -1.00 0.00 0.00 59.36 57.58 3hf2 h GLU 60 Cb 0.60 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3hf2 h GLU 60 CO 0.03 1.38 0.17 0.00 -1.00 0.00 0.00 179.01 179.59 3hf2 h ALA 61 N 0.28 1.89 -0.00 3.43 0.00 -0.86 -2.06 119.26 121.95 3hf2 h ALA 61 Ca -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hf2 h ALA 61 Cb 2.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.82 3hf2 h ALA 61 CO 0.26 0.08 -0.02 0.00 0.00 0.00 0.00 179.25 179.57 3hf2 s ASP 63 N -2.26 6.16 0.42 0.00 -1.08 -0.77 -4.86 116.67 114.27 3hf2 s ASP 63 Ca 0.38 0.99 0.29 0.00 -0.52 0.00 0.00 52.55 53.69 3hf2 s ASP 63 Cb 0.21 -2.53 1.17 0.00 -1.46 0.00 0.00 42.92 40.31 3hf2 s ASP 63 CO 0.41 -1.55 1.86 -0.33 0.52 0.00 0.00 175.17 176.09 3hf2 h GLU 64 N 11.53 0.00 0.00 4.34 5.08 -1.86 0.18 114.58 133.86 3hf2 h GLU 64 Ca -0.30 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 3hf2 h GLU 64 Cb 1.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 3hf2 h GLU 64 CO 1.07 0.00 -0.14 0.66 -1.00 0.00 0.00 179.01 179.60 3hf2 h SER 65 N 0.00 0.00 0.00 1.42 4.64 -1.96 -3.34 113.55 114.30 3hf2 h SER 65 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 3hf2 h SER 65 Cb 0.47 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.51 3hf2 h SER 65 CO 0.00 0.14 -2.18 0.54 -0.87 0.00 0.00 176.83 174.46 3hf2 n ARG 66 N -3.14 0.91 -3.99 4.77 1.74 -0.70 -4.85 116.66 111.40 3hf2 n ARG 66 Ca 0.03 -0.05 -0.10 0.00 -0.77 0.00 0.00 57.85 56.96 3hf2 n ARG 66 Cb 0.57 -1.47 -0.12 0.00 -1.02 0.00 0.00 32.46 30.42 3hf2 n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hf2 s PHE 67 N -2.65 0.30 0.18 -1.55 0.08 -0.03 -1.69 117.98 112.62 3hf2 s PHE 67 Ca -0.09 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.58 3hf2 s PHE 67 Cb 0.07 -0.20 -0.05 0.00 -0.57 0.00 0.00 43.02 42.27 3hf2 s PHE 67 CO 0.77 -0.14 -0.08 0.34 -0.10 0.00 0.00 175.22 176.01 3hf2 s ASP 68 N -1.22 1.90 0.31 1.36 2.15 -0.88 -4.27 116.67 116.02 3hf2 s ASP 68 Ca -0.12 -1.08 -0.29 0.00 0.43 0.00 0.00 52.55 51.49 3hf2 s ASP 68 Cb -0.08 -0.02 -0.11 0.00 -0.30 0.00 0.00 42.92 42.41 3hf2 s ASP 68 CO -0.01 -0.37 1.57 -0.75 -0.17 0.00 0.00 175.17 175.44 3hf2 s LYS 69 N -3.77 4.12 0.03 4.34 2.20 -1.26 -1.25 119.74 124.14 3hf2 s LYS 69 Ca 0.21 2.58 0.04 0.00 -0.36 0.00 0.00 55.97 58.44 3hf2 s LYS 69 Cb 0.03 -3.01 -0.04 0.00 -1.51 0.00 0.00 37.83 33.31 3hf2 s LYS 69 CO 0.04 -0.61 -0.07 1.21 -0.36 0.00 0.00 175.35 175.56 3hf2 s ASN 70 N 0.33 4.62 -0.37 1.43 2.47 0.12 -4.66 114.94 118.88 3hf2 s ASN 70 Ca 0.61 -0.19 -0.25 0.00 0.42 0.00 0.00 52.86 53.44 3hf2 s ASN 70 Cb -0.47 -1.05 0.01 0.00 -1.45 0.00 0.00 41.25 38.29 3hf2 s ASN 70 CO 0.52 0.25 0.90 -0.76 -3.72 0.00 0.00 177.10 174.29 3hf2 s LEU 71 N -1.65 4.03 1.34 3.21 1.43 -1.26 -4.34 118.68 121.44 3hf2 s LEU 71 Ca 0.19 0.52 -0.19 0.00 -1.03 0.00 0.00 54.13 53.62 3hf2 s LEU 71 Cb -0.11 -3.21 0.34 0.00 0.03 0.00 0.00 46.19 43.24 3hf2 s LEU 71 CO 0.10 -0.84 0.96 -0.94 0.23 0.00 0.00 176.35 175.86 3hf2 s SER 72 N 1.88 -0.42 0.18 2.29 1.04 -1.26 -4.71 113.70 112.70 3hf2 s SER 72 Ca 0.37 1.14 -0.13 0.00 0.48 0.00 0.00 55.95 57.80 3hf2 s SER 72 Cb -0.12 -1.70 0.11 0.00 0.10 0.00 0.00 66.02 64.42 3hf2 s SER 72 CO 0.19 -5.01 1.80 -0.61 0.98 0.00 0.00 173.24 170.59 3hf2 h GLN 73 N -3.17 0.53 -0.35 4.02 5.75 -1.99 -1.56 115.11 118.33 3hf2 h GLN 73 Ca -0.52 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 57.95 3hf2 h GLN 73 Cb 1.34 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.75 3hf2 h GLN 73 CO 0.38 0.35 0.23 0.00 -2.65 0.00 0.00 178.83 177.14 3hf2 h ALA 74 N 1.25 0.44 -0.06 3.38 0.00 -2.00 -2.86 119.26 119.42 3hf2 h ALA 74 Ca 0.21 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3hf2 h ALA 74 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hf2 h ALA 74 CO -0.12 -0.09 -0.28 -0.07 0.00 0.00 0.00 179.25 178.69 3hf2 h LEU 75 N 0.47 0.10 -1.26 0.00 3.38 -1.85 -1.60 115.31 114.55 3hf2 h LEU 75 Ca 0.13 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3hf2 h LEU 75 Cb -0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3hf2 h LEU 75 CO -0.03 0.38 -0.00 0.11 0.09 0.00 0.00 178.44 178.99 3hf2 h LYS 76 N 0.09 0.50 0.02 1.13 1.57 -1.07 -0.37 116.57 118.44 3hf2 h LYS 76 Ca 0.01 -0.10 -0.23 0.00 -1.87 0.00 0.00 60.65 58.46 3hf2 h LYS 76 Cb 0.55 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 3hf2 h LYS 76 CO 0.04 0.53 -1.11 0.74 -0.57 0.00 0.00 179.45 179.08 3hf2 h PHE 77 N 0.48 0.08 -0.25 -1.35 -1.00 -1.27 -3.21 116.94 110.42 3hf2 h PHE 77 Ca 0.10 -0.06 -0.09 0.00 2.81 0.00 0.00 57.97 60.74 3hf2 h PHE 77 Cb 0.32 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 3hf2 h PHE 77 CO 0.01 1.05 -0.23 0.28 -1.61 0.00 0.00 178.31 177.81 3hf2 h VAL 78 N 0.01 1.26 -0.05 -0.55 2.07 -0.87 -3.06 116.25 115.06 3hf2 h VAL 78 Ca -0.06 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.27 3hf2 h VAL 78 Cb 1.83 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 3hf2 h VAL 78 CO 0.14 0.38 0.26 -0.09 0.02 0.00 0.00 177.57 178.28 3hf2 h ARG 79 N 0.41 0.00 -0.17 1.57 2.43 -1.07 0.44 114.38 117.99 3hf2 h ARG 79 Ca 0.06 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3hf2 h ARG 79 Cb 0.63 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 3hf2 h ARG 79 CO 0.04 0.00 0.03 -0.44 -1.51 0.00 0.00 179.97 178.09 3hf2 h ASP 80 N 0.00 0.21 0.00 -3.80 3.32 -1.68 -0.26 116.42 114.22 3hf2 h ASP 80 Ca 0.02 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 3hf2 h ASP 80 Cb 0.54 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3hf2 h ASP 80 CO -0.00 0.23 -1.51 2.22 -1.72 0.00 0.00 179.24 178.46 3hf2 n PHE 81 N -4.42 0.00 0.22 4.55 -1.74 -0.21 -4.66 117.46 111.19 3hf2 n PHE 81 Ca -0.00 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.00 3hf2 n PHE 81 Cb 0.15 -0.30 0.05 0.00 1.52 0.00 0.00 39.48 40.90 3hf2 n PHE 81 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3hf2 h ALA 82 N 0.76 0.56 -0.78 1.98 0.00 -1.04 -3.48 119.26 117.26 3hf2 h ALA 82 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hf2 h ALA 82 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hf2 h ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3hf2 n GLY 83 N 1.21 1.38 1.89 0.00 0.00 -0.11 -2.07 105.19 107.50 3hf2 n GLY 83 Ca 0.01 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 3hf2 n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hf2 n ASP 84 N -0.67 6.16 -4.58 1.61 5.75 -1.26 -4.39 116.55 119.16 3hf2 n ASP 84 Ca 0.00 -3.09 -0.29 0.00 -0.01 0.00 0.00 54.79 51.40 3hf2 n ASP 84 Cb 0.00 -1.00 0.21 0.00 -1.03 0.00 0.00 41.12 39.30 3hf2 n ASP 84 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3hf2 s GLY 85 N -0.02 1.56 0.31 6.12 0.00 -0.88 -4.73 107.32 109.68 3hf2 s GLY 85 Ca 0.33 -0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.85 3hf2 s GLY 85 CO 0.00 0.45 1.86 1.41 0.00 0.00 0.00 173.10 176.83 3hf2 h LEU 86 N -2.27 0.67 -0.65 0.66 3.38 -1.89 -2.24 115.31 112.96 3hf2 h LEU 86 Ca -0.58 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.14 3hf2 h LEU 86 Cb 1.33 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3hf2 h LEU 86 CO 0.53 0.67 -0.42 0.15 0.09 0.00 0.00 178.44 179.46 3hf2 h PHE 87 N 0.70 0.67 -0.16 1.13 3.57 -1.94 -3.27 116.94 117.65 3hf2 h PHE 87 Ca 0.16 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3hf2 h PHE 87 Cb 0.27 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.87 3hf2 h PHE 87 CO 0.01 0.89 0.00 0.25 -2.23 0.00 0.00 178.31 177.23 3hf2 n THR 88 N -4.02 1.84 -3.98 4.41 -2.24 -1.14 -5.00 114.28 104.15 3hf2 n THR 88 Ca -0.02 -1.78 -0.28 0.00 -2.27 0.00 0.00 64.05 59.70 3hf2 n THR 88 Cb 0.53 -0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.66 3hf2 n THR 88 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hf2 s SER 89 N -2.00 6.08 0.37 3.42 1.04 -0.86 -4.75 113.70 117.01 3hf2 s SER 89 Ca 0.32 0.11 -0.20 0.00 0.48 0.00 0.00 55.95 56.65 3hf2 s SER 89 Cb 0.25 -1.78 -0.10 0.00 0.10 0.00 0.00 66.02 64.50 3hf2 s SER 89 CO 0.07 0.09 0.88 0.26 0.98 0.00 0.00 173.24 175.52 3hf2 s TRP 90 N -1.66 3.41 0.53 5.02 0.52 -1.26 -4.95 118.94 120.55 3hf2 s TRP 90 Ca 0.33 1.53 0.20 0.00 0.02 0.00 0.00 56.10 58.17 3hf2 s TRP 90 Cb -0.11 -2.77 1.33 0.00 -1.15 0.00 0.00 33.47 30.77 3hf2 s TRP 90 CO 0.27 0.03 2.10 1.15 0.02 0.00 0.00 176.95 180.51 3hf2 h THR 91 N 2.10 0.89 -0.01 2.01 2.02 -1.97 -1.73 112.91 116.22 3hf2 h THR 91 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3hf2 h THR 91 Cb 1.18 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3hf2 h THR 91 CO 0.63 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 176.38 3hf2 n HIS 92 N -4.46 0.00 -2.41 3.16 1.44 -1.26 -4.60 115.22 107.09 3hf2 n HIS 92 Ca 0.01 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.31 3hf2 n HIS 92 Cb 0.27 -0.08 -0.03 0.00 0.12 0.00 0.00 29.99 30.26 3hf2 n HIS 92 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3hf2 s GLU 93 N -2.30 4.47 0.28 -1.40 2.02 -0.65 -4.92 118.70 116.20 3hf2 s GLU 93 Ca 0.30 1.81 0.01 0.00 0.02 0.00 0.00 54.97 57.11 3hf2 s GLU 93 Cb 0.20 -3.30 0.60 0.00 0.10 0.00 0.00 34.13 31.74 3hf2 s GLU 93 CO 0.44 -0.15 1.77 -0.22 0.02 0.00 0.00 175.26 177.12 3hf2 h LYS 94 N 6.00 0.68 0.00 1.61 3.64 -1.88 0.43 116.57 127.05 3hf2 h LYS 94 Ca -0.43 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3hf2 h LYS 94 Cb 1.21 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3hf2 h LYS 94 CO 0.78 0.45 0.00 -0.91 -2.27 0.00 0.00 179.45 177.50 3hf2 h ASN 95 N 0.70 0.00 0.56 4.20 -0.26 -1.92 -2.74 115.58 116.12 3hf2 h ASN 95 Ca 0.50 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.22 3hf2 h ASN 95 Cb 0.72 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.99 3hf2 h ASN 95 CO -0.36 0.00 -0.27 -0.25 -1.06 0.00 0.00 177.43 175.49 3hf2 h TRP 96 N 0.00 -0.70 -0.49 1.19 7.01 -1.16 -2.23 115.95 119.58 3hf2 h TRP 96 Ca 0.00 -0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.90 3hf2 h TRP 96 Cb 0.41 0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.68 3hf2 h TRP 96 CO 0.00 -0.37 -0.01 -0.22 -2.79 0.00 0.00 178.44 175.05 3hf2 h LYS 97 N -1.01 0.86 0.25 2.65 1.63 -1.59 0.12 116.57 119.48 3hf2 h LYS 97 Ca -0.08 -0.28 0.01 0.00 -0.85 0.00 0.00 60.65 59.45 3hf2 h LYS 97 Cb 0.64 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.16 3hf2 h LYS 97 CO 0.13 0.91 -0.46 0.87 -3.45 0.00 0.00 179.45 177.44 3hf2 h LYS 98 N 0.72 -0.76 -0.84 1.90 1.57 -1.60 -0.16 116.57 117.40 3hf2 h LYS 98 Ca 0.14 0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 3hf2 h LYS 98 Cb 0.53 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 3hf2 h LYS 98 CO 0.03 -0.50 0.42 0.00 -0.57 0.00 0.00 179.45 178.82 3hf2 h ALA 99 N -0.46 1.09 0.01 3.86 0.00 -1.13 -1.32 119.26 121.31 3hf2 h ALA 99 Ca -0.01 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3hf2 h ALA 99 Cb 0.75 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3hf2 h ALA 99 CO -0.19 0.64 -0.34 1.25 0.00 0.00 0.00 179.25 180.61 3hf2 h HIS 100 N 1.20 -0.94 -0.79 0.00 -0.00 -0.66 0.31 115.15 114.27 3hf2 h HIS 100 Ca 0.29 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.67 3hf2 h HIS 100 Cb 0.10 0.41 -0.04 0.00 -0.00 0.00 0.00 27.41 27.88 3hf2 h HIS 100 CO 0.01 -0.43 0.41 -0.91 -0.00 0.00 0.00 177.93 177.01 3hf2 h ASN 101 N -0.50 1.00 -0.10 3.26 2.35 -0.73 -1.10 115.58 119.75 3hf2 h ASN 101 Ca 0.06 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 3hf2 h ASN 101 Cb 0.58 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 3hf2 h ASN 101 CO -0.27 0.82 -0.09 0.40 -1.65 0.00 0.00 177.43 176.65 3hf2 h ILE 102 N 1.10 1.36 0.04 2.81 2.04 -1.01 -3.36 117.51 120.48 3hf2 h ILE 102 Ca 0.27 -1.23 -0.23 0.00 1.00 0.00 0.00 64.86 64.68 3hf2 h ILE 102 Cb 0.06 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3hf2 h ILE 102 CO -0.04 0.35 -1.02 -0.07 0.00 0.00 0.00 178.15 177.37 3hf2 h LEU 103 N -0.17 0.30 -0.71 1.44 3.38 -0.31 -3.39 115.31 115.85 3hf2 h LEU 103 Ca 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3hf2 h LEU 103 Cb 0.60 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3hf2 h LEU 103 CO 0.02 1.14 0.36 0.25 0.09 0.00 0.00 178.44 180.30 3hf2 h LEU 104 N 0.09 0.91 -1.25 1.67 5.85 -1.35 -2.70 115.31 118.54 3hf2 h LEU 104 Ca -0.07 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 3hf2 h LEU 104 Cb 1.70 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 3hf2 h LEU 104 CO 0.16 0.78 -0.36 -0.65 -0.34 0.00 0.00 178.44 178.02 3hf2 h PRO 105 N 0.99 0.00 0.00 5.25 0.11 -1.79 -2.68 132.00 133.88 3hf2 h PRO 105 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3hf2 h PRO 105 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 3hf2 h PRO 105 CO -0.03 0.36 0.00 0.43 -0.21 0.00 0.00 178.00 178.55 3hf2 n SER 106 N -3.93 0.00 -0.07 -2.05 7.64 -1.02 -1.49 113.62 112.70 3hf2 n SER 106 Ca -0.02 -0.67 0.04 0.00 1.01 0.00 0.00 58.87 59.23 3hf2 n SER 106 Cb 0.42 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.67 3hf2 n SER 106 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3hf2 n PHE 107 N -0.64 0.00 -1.55 1.43 3.72 -1.01 -4.86 117.46 114.55 3hf2 n PHE 107 Ca 0.03 -0.58 -0.35 0.00 -0.05 0.00 0.00 57.45 56.49 3hf2 n PHE 107 Cb 0.01 -0.08 0.08 0.00 -0.94 0.00 0.00 39.48 38.56 3hf2 n PHE 107 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3hf2 s SER 108 N -1.56 4.35 0.30 4.37 1.04 -0.56 -4.62 113.70 117.02 3hf2 s SER 108 Ca 0.11 2.45 0.05 0.00 0.48 0.00 0.00 55.95 59.04 3hf2 s SER 108 Cb 0.10 -2.60 0.78 0.00 0.10 0.00 0.00 66.02 64.40 3hf2 s SER 108 CO 0.01 -2.17 1.66 -0.61 0.98 0.00 0.00 173.24 173.12 3hf2 h GLN 109 N 0.02 0.28 -0.32 4.02 5.75 -1.93 -0.82 115.11 122.11 3hf2 h GLN 109 Ca -0.49 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 57.97 3hf2 h GLN 109 Cb 1.31 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.78 3hf2 h GLN 109 CO 0.51 0.18 0.09 1.96 -2.65 0.00 0.00 178.83 178.92 3hf2 h GLN 110 N 0.29 0.46 0.00 1.69 1.08 -1.94 -2.57 115.11 114.11 3hf2 h GLN 110 Ca 0.58 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.72 3hf2 h GLN 110 Cb 1.19 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.53 3hf2 h GLN 110 CO -0.61 0.42 -0.02 0.00 -0.95 0.00 0.00 178.83 177.67 3hf2 h ALA 111 N 1.65 1.02 0.00 3.87 0.00 -1.42 -2.97 119.26 121.40 3hf2 h ALA 111 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hf2 h ALA 111 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hf2 h ALA 111 CO -0.01 0.02 0.00 0.52 0.00 0.00 0.00 179.25 179.79 3hf2 h MET 112 N 0.00 0.00 -0.73 0.00 2.86 -1.23 -2.37 114.93 113.46 3hf2 h MET 112 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3hf2 h MET 112 Cb 0.36 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 3hf2 h MET 112 CO 0.00 0.00 0.33 0.87 1.06 0.00 0.00 176.91 179.17 3hf2 h LYS 113 N 0.00 1.05 0.00 1.72 1.57 -1.71 -0.66 116.57 118.54 3hf2 h LYS 113 Ca 0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3hf2 h LYS 113 Cb 0.06 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3hf2 h LYS 113 CO 0.00 0.82 0.00 0.78 -0.57 0.00 0.00 179.45 180.48 3hf2 h GLY 114 N 1.09 0.00 0.00 3.86 0.00 -1.67 -3.24 103.07 103.11 3hf2 h GLY 114 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3hf2 h GLY 114 CO -0.03 0.00 -1.57 -1.72 0.00 0.00 0.00 176.54 173.22 3hf2 n TYR 115 N -2.73 0.00 -0.11 5.60 4.01 -0.74 -4.56 117.16 118.63 3hf2 n TYR 115 Ca 0.02 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.71 3hf2 n TYR 115 Cb 0.33 -0.28 0.02 0.00 -0.31 0.00 0.00 39.34 39.10 3hf2 n TYR 115 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3hf2 h HIS 116 N 0.00 0.07 -1.00 -0.72 2.76 -1.18 -0.20 115.15 114.88 3hf2 h HIS 116 Ca 0.00 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 3hf2 h HIS 116 Cb 0.78 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.72 3hf2 h HIS 116 CO 0.00 -0.02 0.66 0.00 -1.30 0.00 0.00 177.93 177.27 3hf2 h ALA 117 N 1.30 1.28 -0.22 5.26 0.00 -1.80 -1.18 119.26 123.90 3hf2 h ALA 117 Ca 0.18 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3hf2 h ALA 117 Cb 0.23 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hf2 h ALA 117 CO -0.26 0.66 -0.47 0.52 0.00 0.00 0.00 179.25 179.70 3hf2 h MET 118 N 1.35 0.59 -0.62 0.00 2.07 -1.57 -2.32 114.93 114.43 3hf2 h MET 118 Ca 0.36 -0.33 -0.03 0.00 -2.07 0.00 0.00 59.70 57.63 3hf2 h MET 118 Cb -0.15 0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 29.57 3hf2 h MET 118 CO -0.08 0.93 0.26 0.52 1.07 0.00 0.00 176.91 179.61 3hf2 h MET 119 N 0.47 0.91 -0.86 1.72 2.86 -0.60 -2.57 114.93 116.88 3hf2 h MET 119 Ca 0.03 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3hf2 h MET 119 Cb 1.00 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.47 3hf2 h MET 119 CO 0.09 0.77 0.54 0.28 1.06 0.00 0.00 176.91 179.65 3hf2 h VAL 120 N 0.86 1.23 -0.19 -2.22 2.07 -1.17 -1.06 116.25 115.76 3hf2 h VAL 120 Ca 0.21 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 67.31 3hf2 h VAL 120 Cb 0.19 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 3hf2 h VAL 120 CO -0.02 0.23 -0.07 -0.78 0.02 0.00 0.00 177.57 176.95 3hf2 h ASP 121 N 1.17 -0.24 0.07 0.57 1.82 -1.00 0.11 116.42 118.92 3hf2 h ASP 121 Ca 0.31 0.07 -0.16 0.00 -0.39 0.00 0.00 57.03 56.86 3hf2 h ASP 121 Cb -0.09 0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 3hf2 h ASP 121 CO -0.06 -0.09 -0.57 0.40 -1.61 0.00 0.00 179.24 177.30 3hf2 h ILE 122 N -0.04 1.33 -0.43 2.25 1.08 -1.33 -2.12 117.51 118.26 3hf2 h ILE 122 Ca 0.10 -1.84 -0.03 0.00 -0.39 0.00 0.00 64.86 62.70 3hf2 h ILE 122 Cb 0.18 1.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.74 3hf2 h ILE 122 CO -0.22 0.57 0.13 0.00 -0.69 0.00 0.00 178.15 177.94 3hf2 h ALA 123 N 0.98 0.56 -0.66 1.87 0.00 -0.83 0.18 119.26 121.36 3hf2 h ALA 123 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3hf2 h ALA 123 Cb 1.11 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3hf2 h ALA 123 CO 0.11 0.21 0.40 0.28 0.00 0.00 0.00 179.25 180.24 3hf2 h VAL 124 N 0.55 1.05 -0.72 0.00 2.07 -0.77 -1.01 116.25 117.42 3hf2 h VAL 124 Ca 0.14 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.45 3hf2 h VAL 124 Cb 0.27 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 3hf2 h VAL 124 CO -0.00 0.14 0.43 1.56 0.02 0.00 0.00 177.57 179.71 3hf2 h GLN 125 N 0.77 0.77 -0.07 1.57 4.20 -0.60 -1.36 115.11 120.39 3hf2 h GLN 125 Ca 0.27 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3hf2 h GLN 125 Cb 0.07 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3hf2 h GLN 125 CO -0.13 0.51 0.03 1.25 -0.67 0.00 0.00 178.83 179.83 3hf2 h LEU 126 N 0.80 0.05 -0.59 1.46 5.85 -0.68 -1.62 115.31 120.58 3hf2 h LEU 126 Ca 0.32 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 3hf2 h LEU 126 Cb 0.15 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3hf2 h LEU 126 CO -0.16 0.04 0.32 0.58 -0.34 0.00 0.00 178.44 178.88 3hf2 h VAL 127 N 0.08 1.19 -0.78 1.05 2.07 -0.79 -2.29 116.25 116.78 3hf2 h VAL 127 Ca 0.03 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3hf2 h VAL 127 Cb 0.01 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 3hf2 h VAL 127 CO -0.02 0.21 0.41 1.56 0.02 0.00 0.00 177.57 179.74 3hf2 h GLN 128 N 0.79 1.09 -0.23 1.57 4.20 -1.16 0.11 115.11 121.50 3hf2 h GLN 128 Ca 0.21 -0.13 0.03 0.00 0.06 0.00 0.00 58.65 58.81 3hf2 h GLN 128 Cb 0.04 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 3hf2 h GLN 128 CO -0.03 0.82 0.03 -0.22 -0.67 0.00 0.00 178.83 178.75 3hf2 h LYS 129 N 1.09 0.11 -0.43 1.46 3.64 -0.75 -1.62 116.57 120.08 3hf2 h LYS 129 Ca 0.27 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.55 3hf2 h LYS 129 Cb 0.06 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3hf2 h LYS 129 CO -0.04 0.07 -0.11 -1.49 -2.27 0.00 0.00 179.45 175.62 3hf2 h TRP 130 N 0.12 0.85 0.00 1.91 6.55 -0.95 -2.07 115.95 122.35 3hf2 h TRP 130 Ca 0.10 -0.15 -0.03 0.00 0.95 0.00 0.00 58.89 59.76 3hf2 h TRP 130 Cb 0.11 -0.22 -0.00 0.00 -0.86 0.00 0.00 29.16 28.19 3hf2 h TRP 130 CO -0.16 0.84 -0.12 0.93 -1.05 0.00 0.00 178.44 178.88 3hf2 h GLU 131 N 0.70 0.00 -0.16 0.49 4.39 -0.36 -2.84 114.58 116.80 3hf2 h GLU 131 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3hf2 h GLU 131 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3hf2 h GLU 131 CO 0.04 0.12 0.00 0.54 -1.16 0.00 0.00 179.01 178.55 3hf2 n ARG 132 N -3.88 1.85 -2.54 2.33 1.74 -0.65 -4.89 116.66 110.63 3hf2 n ARG 132 Ca -0.02 -1.27 -0.36 0.00 -0.77 0.00 0.00 57.85 55.42 3hf2 n ARG 132 Cb 0.22 -1.43 -0.04 0.00 -1.02 0.00 0.00 32.46 30.19 3hf2 n ARG 132 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hf2 s LEU 133 N -1.66 4.10 0.71 0.55 1.43 -1.08 -5.05 118.68 117.67 3hf2 s LEU 133 Ca 0.34 2.03 -0.10 0.00 -1.03 0.00 0.00 54.13 55.37 3hf2 s LEU 133 Cb 0.19 -4.24 0.04 0.00 0.03 0.00 0.00 46.19 42.21 3hf2 s LEU 133 CO 0.28 -0.54 1.07 0.20 0.23 0.00 0.00 176.35 177.59 3hf2 s ASN 134 N -1.62 5.15 0.27 2.29 0.01 -1.26 -4.98 114.94 114.80 3hf2 s ASN 134 Ca 0.59 0.86 -0.04 0.00 -0.71 0.00 0.00 52.86 53.57 3hf2 s ASN 134 Cb -0.21 -1.60 0.35 0.00 0.41 0.00 0.00 41.25 40.20 3hf2 s ASN 134 CO 0.26 -1.46 1.93 0.00 -1.51 0.00 0.00 177.10 176.32 3hf2 h ALA 135 N -0.65 1.35 -0.01 0.60 0.00 -1.98 -1.79 119.26 116.78 3hf2 h ALA 135 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3hf2 h ALA 135 Cb 1.28 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3hf2 h ALA 135 CO 0.63 0.57 -0.00 -0.25 0.00 0.00 0.00 179.25 180.20 3hf2 n ASP 136 N -4.42 0.54 -4.86 0.00 10.43 -1.26 -4.93 116.55 112.05 3hf2 n ASP 136 Ca 0.12 -1.17 -0.31 0.00 2.57 0.00 0.00 54.79 56.01 3hf2 n ASP 136 Cb 0.07 -0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.00 3hf2 n ASP 136 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3hf2 s GLU 137 N -2.01 3.80 0.31 -1.24 2.02 -0.68 -5.07 118.70 115.84 3hf2 s GLU 137 Ca 0.44 0.67 0.06 0.00 0.02 0.00 0.00 54.97 56.16 3hf2 s GLU 137 Cb 0.22 -2.26 -0.06 0.00 0.10 0.00 0.00 34.13 32.13 3hf2 s GLU 137 CO 0.36 -0.20 -0.03 -3.38 0.02 0.00 0.00 175.26 172.03 3hf2 s HIS 138 N -2.59 2.06 -0.16 1.61 -3.43 -1.26 -4.71 115.29 106.81 3hf2 s HIS 138 Ca 0.54 -0.73 -0.04 0.00 -0.80 0.00 0.00 55.06 54.03 3hf2 s HIS 138 Cb -0.10 -1.25 -0.03 0.00 -1.43 0.00 0.00 32.58 29.77 3hf2 s HIS 138 CO 0.35 0.28 -0.02 0.42 -2.00 0.00 0.00 174.74 173.76 3hf2 s ILE 139 N -2.99 4.01 -0.71 -5.38 1.01 0.62 -4.97 121.20 112.78 3hf2 s ILE 139 Ca 0.32 -0.31 -0.23 0.00 0.00 0.00 0.00 60.65 60.43 3hf2 s ILE 139 Cb 0.05 -2.77 0.07 0.00 0.01 0.00 0.00 42.46 39.82 3hf2 s ILE 139 CO 0.14 0.48 1.05 -1.61 0.00 0.00 0.00 174.94 174.99 3hf2 s GLU 140 N 0.44 3.18 0.05 2.79 2.02 -1.26 -1.74 118.70 124.19 3hf2 s GLU 140 Ca -0.03 -0.84 -0.32 0.00 0.02 0.00 0.00 54.97 53.80 3hf2 s GLU 140 Cb -0.14 -4.33 -0.18 0.00 0.10 0.00 0.00 34.13 29.58 3hf2 s GLU 140 CO 0.02 -1.88 1.45 0.28 0.02 0.00 0.00 175.26 175.16 3hf2 h VAL 141 N 6.00 0.19 0.00 2.63 2.07 -1.69 -1.75 116.25 123.70 3hf2 h VAL 141 Ca -0.23 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 3hf2 h VAL 141 Cb 1.06 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3hf2 h VAL 141 CO 1.20 0.01 -0.21 1.55 0.02 0.00 0.00 177.57 180.14 3hf2 h PRO 142 N -1.12 0.00 -0.13 1.57 0.13 -1.85 -0.36 132.00 130.24 3hf2 h PRO 142 Ca -0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 3hf2 h PRO 142 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 3hf2 h PRO 142 CO 0.17 0.21 0.03 0.93 -0.23 0.00 0.00 178.00 179.12 3hf2 h GLU 143 N 0.00 0.21 -0.15 0.86 3.07 -1.91 -1.01 114.58 115.65 3hf2 h GLU 143 Ca -0.00 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 58.70 3hf2 h GLU 143 Cb 0.44 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 3hf2 h GLU 143 CO 0.03 0.36 -0.40 -0.44 -1.40 0.00 0.00 179.01 177.16 3hf2 h ASP 144 N 0.02 0.35 -0.03 1.42 3.32 -1.16 -1.97 116.42 118.37 3hf2 h ASP 144 Ca 0.04 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 3hf2 h ASP 144 Cb 0.25 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3hf2 h ASP 144 CO -0.00 0.72 -0.34 0.24 -1.72 0.00 0.00 179.24 178.14 3hf2 h MET 145 N 0.28 0.51 -0.31 3.56 2.86 -0.98 -2.16 114.93 118.69 3hf2 h MET 145 Ca 0.03 -0.23 -0.17 0.00 -2.06 0.00 0.00 59.70 57.27 3hf2 h MET 145 Cb 0.83 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 3hf2 h MET 145 CO 0.07 0.79 -0.47 1.15 1.06 0.00 0.00 176.91 179.50 3hf2 h THR 146 N 0.43 1.28 -0.40 2.22 2.02 -1.14 -0.36 112.91 116.96 3hf2 h THR 146 Ca 0.05 -1.66 0.07 0.00 0.77 0.00 0.00 66.41 65.64 3hf2 h THR 146 Cb 0.80 1.55 -0.06 0.00 -1.74 0.00 0.00 68.15 68.70 3hf2 h THR 146 CO 0.07 0.54 0.00 0.03 0.37 0.00 0.00 175.52 176.53 3hf2 h ARG 147 N 0.65 0.10 -0.22 6.66 3.08 -1.26 -1.49 114.38 121.90 3hf2 h ARG 147 Ca 0.03 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3hf2 h ARG 147 Cb 1.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 3hf2 h ARG 147 CO 0.11 0.07 0.00 1.25 -1.07 0.00 0.00 179.97 180.33 3hf2 h LEU 148 N 0.11 0.38 -0.27 3.04 6.46 -1.12 -2.33 115.31 121.59 3hf2 h LEU 148 Ca 0.20 -0.30 -0.21 0.00 -0.12 0.00 0.00 57.88 57.44 3hf2 h LEU 148 Cb 0.27 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 3hf2 h LEU 148 CO -0.32 0.59 -0.78 0.71 -0.62 0.00 0.00 178.44 178.02 3hf2 h THR 149 N 0.16 1.34 -0.27 1.05 1.35 -1.01 -0.22 112.91 115.31 3hf2 h THR 149 Ca 0.06 -2.11 -0.02 0.00 -0.55 0.00 0.00 66.41 63.80 3hf2 h THR 149 Cb 0.39 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 3hf2 h THR 149 CO 0.01 0.65 0.09 0.25 -0.25 0.00 0.00 175.52 176.27 3hf2 h LEU 150 N 0.38 0.38 -0.84 3.87 5.85 -1.34 -1.15 115.31 122.46 3hf2 h LEU 150 Ca -0.05 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.37 3hf2 h LEU 150 Cb 1.39 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3hf2 h LEU 150 CO 0.15 0.47 -0.32 0.44 -0.34 0.00 0.00 178.44 178.84 3hf2 h ASP 151 N 0.27 0.50 -0.24 1.25 5.19 -1.26 -1.67 116.42 120.46 3hf2 h ASP 151 Ca 0.09 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.29 3hf2 h ASP 151 Cb 0.22 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 3hf2 h ASP 151 CO -0.00 0.79 0.09 0.74 -3.12 0.00 0.00 179.24 177.74 3hf2 h THR 152 N 0.42 1.18 -0.17 0.35 2.02 -0.76 -0.71 112.91 115.24 3hf2 h THR 152 Ca 0.05 -0.55 -0.08 0.00 0.77 0.00 0.00 66.41 66.59 3hf2 h THR 152 Cb 0.77 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3hf2 h THR 152 CO 0.06 0.18 -0.26 0.16 0.37 0.00 0.00 175.52 176.04 3hf2 h ILE 153 N 0.23 1.25 -0.21 3.11 -0.00 -1.06 0.27 117.51 121.11 3hf2 h ILE 153 Ca 0.08 -1.18 -0.00 0.00 -0.00 0.00 0.00 64.86 63.75 3hf2 h ILE 153 Cb 0.20 1.41 -0.01 0.00 -0.00 0.00 0.00 36.82 38.42 3hf2 h ILE 153 CO -0.00 0.36 0.11 1.23 -0.00 0.00 0.00 178.15 179.85 3hf2 h GLY 154 N 1.00 0.31 0.30 0.16 0.00 -1.05 0.97 103.07 104.76 3hf2 h GLY 154 Ca 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 3hf2 h GLY 154 CO 0.04 0.13 -0.04 -2.00 0.00 0.00 0.00 176.54 174.68 3hf2 h LEU 155 N 0.23 -0.09 -0.89 3.11 5.85 -0.50 -0.08 115.31 122.93 3hf2 h LEU 155 Ca 0.07 -0.51 -0.10 0.00 0.84 0.00 0.00 57.88 58.19 3hf2 h LEU 155 Cb 0.07 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3hf2 h LEU 155 CO -0.01 0.54 -0.23 0.00 -0.34 0.00 0.00 178.44 178.39 3hf2 h GLY 157 N 1.00 0.40 -2.00 0.00 0.00 0.95 -2.84 103.07 100.58 3hf2 h GLY 157 Ca 0.07 -0.71 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 3hf2 h GLY 157 CO 0.05 0.63 -0.69 1.97 0.00 0.00 0.00 176.54 178.49 3hf2 n PHE 158 N -4.27 0.00 -4.04 5.60 -1.74 -0.11 -1.83 117.46 111.06 3hf2 n PHE 158 Ca -0.10 -0.27 -0.31 0.00 -0.56 0.00 0.00 57.45 56.20 3hf2 n PHE 158 Cb 0.64 -0.03 -0.01 0.00 1.52 0.00 0.00 39.48 41.61 3hf2 n PHE 158 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 3hf2 n ASN 159 N 0.23 -2.92 -4.26 5.98 4.05 -0.33 -4.95 115.26 113.06 3hf2 n ASN 159 Ca 0.00 -0.93 -0.29 0.00 0.45 0.00 0.00 54.58 53.81 3hf2 n ASN 159 Cb 0.89 -3.22 -0.16 0.00 1.23 0.00 0.00 39.78 38.52 3hf2 n ASN 159 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 3hf2 s TYR 160 N -3.47 2.12 -0.40 1.20 5.04 -0.81 -4.93 117.35 116.09 3hf2 s TYR 160 Ca 0.51 -0.42 -0.11 0.00 -2.44 0.00 0.00 57.07 54.61 3hf2 s TYR 160 Cb -0.27 -1.37 0.05 0.00 0.35 0.00 0.00 41.96 40.73 3hf2 s TYR 160 CO 0.88 -0.05 0.25 1.03 -1.34 0.00 0.00 175.55 176.32 3hf2 s ARG 161 N -0.51 2.75 0.54 4.97 0.52 -1.26 -2.00 118.95 123.96 3hf2 s ARG 161 Ca 0.08 -1.26 0.32 0.00 -0.52 0.00 0.00 55.73 54.36 3hf2 s ARG 161 Cb -0.09 -3.79 1.31 0.00 0.52 0.00 0.00 34.95 32.90 3hf2 s ARG 161 CO -0.01 -0.83 1.97 0.74 0.02 0.00 0.00 175.30 177.19 3hf2 h PHE 162 N 8.46 0.00 -6.46 -0.53 0.04 -1.91 -3.47 116.94 113.07 3hf2 h PHE 162 Ca -0.25 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.02 3hf2 h PHE 162 Cb 1.10 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.17 3hf2 h PHE 162 CO 0.59 0.03 -0.83 0.09 -0.60 0.00 0.00 178.31 177.60 3hf2 n ASN 163 N -3.14 -2.59 0.27 2.17 3.02 -1.26 -4.87 115.26 108.87 3hf2 n ASN 163 Ca 0.00 -0.92 0.14 0.00 -0.03 0.00 0.00 54.58 53.78 3hf2 n ASN 163 Cb 0.32 -3.34 0.79 0.00 -0.61 0.00 0.00 39.78 36.95 3hf2 n ASN 163 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3hf2 h SER 164 N -1.82 0.00 0.23 6.41 0.02 -1.91 -1.56 113.55 114.93 3hf2 h SER 164 Ca -0.60 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 3hf2 h SER 164 Cb 1.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.92 3hf2 h SER 164 CO 0.68 0.08 -0.01 0.49 -1.14 0.00 0.00 176.83 176.93 3hf2 n PHE 165 N -3.62 0.00 -0.47 3.45 3.72 -1.26 -2.79 117.46 116.49 3hf2 n PHE 165 Ca -0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.47 3hf2 n PHE 165 Cb 0.20 -0.12 0.28 0.00 -0.94 0.00 0.00 39.48 38.91 3hf2 n PHE 165 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3hf2 n TYR 166 N -1.06 1.02 -4.07 1.38 4.01 -0.59 -5.00 117.16 112.86 3hf2 n TYR 166 Ca 0.20 -0.58 -0.08 0.00 -0.16 0.00 0.00 57.90 57.27 3hf2 n TYR 166 Cb 0.18 -0.13 -0.10 0.00 -0.31 0.00 0.00 39.34 38.98 3hf2 n TYR 166 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3hf2 s ARG 167 N -1.49 0.56 -0.27 -0.72 0.52 -1.12 -5.10 118.95 111.34 3hf2 s ARG 167 Ca 0.42 -1.06 -0.08 0.00 -0.52 0.00 0.00 55.73 54.49 3hf2 s ARG 167 Cb 0.25 0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.80 3hf2 s ARG 167 CO 0.23 -0.07 0.10 -0.51 0.02 0.00 0.00 175.30 175.07 3hf2 s ASP 168 N -2.50 5.29 0.29 0.23 1.01 -1.26 -4.98 116.67 114.75 3hf2 s ASP 168 Ca 0.01 -0.31 0.00 0.00 0.71 0.00 0.00 52.55 52.97 3hf2 s ASP 168 Cb 0.02 -1.95 0.00 0.00 1.01 0.00 0.00 42.92 42.00 3hf2 s ASP 168 CO -0.06 -0.09 0.00 0.00 0.21 0.00 0.00 175.17 175.23 3hf2 n GLN 169 N 4.94 -0.68 0.00 8.23 1.13 -1.26 -5.22 117.38 124.53 3hf2 n GLN 169 Ca -0.15 0.45 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 3hf2 n GLN 169 Cb 0.51 -0.82 0.00 0.00 0.11 0.00 0.00 30.24 30.03 3hf2 n GLN 169 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3hf2 n SER 176 N -3.99 0.00 -0.01 1.08 3.41 -1.26 -5.16 113.62 107.69 3hf2 n SER 176 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3hf2 n SER 176 Cb 0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 3hf2 n SER 176 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 3hf2 h MET 177 N 0.00 -0.04 -0.80 4.33 1.85 -2.01 -2.96 114.93 115.30 3hf2 h MET 177 Ca 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.11 3hf2 h MET 177 Cb 0.00 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.00 3hf2 h MET 177 CO 0.00 0.53 0.53 -0.24 -0.40 0.00 0.00 176.91 177.33 3hf2 h VAL 178 N -0.64 1.17 -0.71 -5.77 3.04 -2.00 -0.78 116.25 110.56 3hf2 h VAL 178 Ca -0.00 -0.36 0.09 0.00 -1.01 0.00 0.00 66.70 65.42 3hf2 h VAL 178 Cb 0.58 0.03 -0.05 0.00 -2.01 0.00 0.00 31.29 29.85 3hf2 h VAL 178 CO 0.01 0.19 0.47 0.03 -1.01 0.00 0.00 177.57 177.26 3hf2 h ARG 179 N 1.05 0.59 -0.11 4.17 3.08 -2.02 -2.97 114.38 118.17 3hf2 h ARG 179 Ca 0.31 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 60.09 3hf2 h ARG 179 Cb -0.05 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 29.87 3hf2 h ARG 179 CO -0.08 0.39 -0.83 0.00 -1.07 0.00 0.00 179.97 178.39 3hf2 h ALA 180 N 1.64 0.32 0.00 0.04 0.00 -0.97 -3.21 119.26 117.08 3hf2 h ALA 180 Ca 0.32 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3hf2 h ALA 180 Cb 0.46 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hf2 h ALA 180 CO -0.11 0.70 -0.06 -0.07 0.00 0.00 0.00 179.25 179.71 3hf2 h LEU 181 N 0.46 0.00 -0.14 0.00 3.38 -1.32 -3.10 115.31 114.60 3hf2 h LEU 181 Ca -0.06 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3hf2 h LEU 181 Cb 1.45 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.14 3hf2 h LEU 181 CO 0.16 0.06 -0.46 -0.78 0.09 0.00 0.00 178.44 177.51 3hf2 h ASP 182 N 0.00 -1.46 0.00 -0.43 3.58 -1.54 -3.48 116.42 113.09 3hf2 h ASP 182 Ca -0.00 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.64 3hf2 h ASP 182 Cb 0.13 0.59 0.00 0.00 1.72 0.00 0.00 39.33 41.77 3hf2 h ASP 182 CO 0.01 -0.45 0.00 -1.84 -2.88 0.00 0.00 179.24 174.08 3hf2 n GLU 183 N -5.44 0.00 -2.73 0.28 -0.00 -1.17 -5.17 120.64 106.41 3hf2 n GLU 183 Ca -0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 57.16 57.08 3hf2 n GLU 183 Cb 0.37 0.00 0.08 0.00 -0.00 0.00 0.00 31.44 31.89 3hf2 n GLU 183 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3hf2 n LYS 202 N 0.00 1.41 0.00 3.44 5.02 -1.26 -4.94 118.16 121.83 3hf2 n LYS 202 Ca 0.00 -2.53 0.00 0.00 -2.02 0.00 0.00 58.31 53.76 3hf2 n LYS 202 Cb 0.00 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 3hf2 n LYS 202 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3hf2 n ARG 203 N -0.73 0.00 0.15 1.97 0.63 -1.26 -4.79 116.66 112.63 3hf2 n ARG 203 Ca -0.01 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3hf2 n ARG 203 Cb 0.83 -0.20 0.23 0.00 0.45 0.00 0.00 32.46 33.78 3hf2 n ARG 203 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 3hf2 h GLN 204 N 0.00 0.00 -0.67 -0.14 5.75 -2.03 -3.11 115.11 114.91 3hf2 h GLN 204 Ca 0.00 -0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.64 3hf2 h GLN 204 Cb 0.00 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 28.43 3hf2 h GLN 204 CO 0.00 0.54 -0.13 0.35 -2.65 0.00 0.00 178.83 176.94 3hf2 h PHE 205 N 0.00 -0.28 -0.95 3.99 3.57 -1.95 -0.74 116.94 120.58 3hf2 h PHE 205 Ca -0.01 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3hf2 h PHE 205 Cb 0.95 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.87 3hf2 h PHE 205 CO 0.00 -0.27 0.63 1.96 -2.23 0.00 0.00 178.31 178.40 3hf2 h GLN 206 N 0.02 1.25 -0.02 1.11 1.08 -1.86 -2.73 115.11 113.96 3hf2 h GLN 206 Ca 0.33 -0.08 -0.18 0.00 -1.45 0.00 0.00 58.65 57.28 3hf2 h GLN 206 Cb 0.52 -0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 3hf2 h GLN 206 CO -0.66 0.83 -0.78 0.93 -0.95 0.00 0.00 178.83 178.20 3hf2 h GLU 207 N 1.29 0.21 -0.14 1.46 5.08 -1.36 -2.57 114.58 118.55 3hf2 h GLU 207 Ca 0.35 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3hf2 h GLU 207 Cb -0.15 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3hf2 h GLU 207 CO -0.08 0.89 0.08 -0.44 -1.00 0.00 0.00 179.01 178.46 3hf2 h ASP 208 N 0.14 0.17 -0.85 1.42 5.19 -1.03 -2.45 116.42 119.00 3hf2 h ASP 208 Ca -0.03 -0.06 0.09 0.00 -0.62 0.00 0.00 57.03 56.41 3hf2 h ASP 208 Cb 1.36 -0.04 -0.07 0.00 0.18 0.00 0.00 39.33 40.75 3hf2 h ASP 208 CO 0.12 0.18 0.50 0.40 -3.12 0.00 0.00 179.24 177.32 3hf2 h ILE 209 N 0.14 0.94 -0.40 0.35 2.04 -1.48 -3.03 117.51 116.06 3hf2 h ILE 209 Ca 0.05 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.68 3hf2 h ILE 209 Cb 0.05 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.08 3hf2 h ILE 209 CO -0.01 0.16 0.07 0.50 0.00 0.00 0.00 178.15 178.87 3hf2 h LYS 210 N 0.85 0.19 -0.18 2.37 1.63 -1.02 -2.13 116.57 118.29 3hf2 h LYS 210 Ca 0.40 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.18 3hf2 h LYS 210 Cb 0.33 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 3hf2 h LYS 210 CO -0.23 0.13 0.05 -0.39 -3.45 0.00 0.00 179.45 175.55 3hf2 h VAL 211 N 0.20 1.20 -0.36 2.00 -1.51 -1.34 -1.30 116.25 115.14 3hf2 h VAL 211 Ca 0.20 -0.63 0.06 0.00 -1.23 0.00 0.00 66.70 65.09 3hf2 h VAL 211 Cb 0.24 1.28 -0.05 0.00 -2.13 0.00 0.00 31.29 30.63 3hf2 h VAL 211 CO -0.26 0.19 0.05 0.24 -1.23 0.00 0.00 177.57 176.56 3hf2 h MET 212 N 0.10 0.16 -0.21 5.19 2.86 -1.56 0.10 114.93 121.57 3hf2 h MET 212 Ca 0.06 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 3hf2 h MET 212 Cb 0.26 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3hf2 h MET 212 CO -0.00 0.11 0.06 -0.91 1.06 0.00 0.00 176.91 177.23 3hf2 h ASN 213 N 0.17 0.30 0.46 1.22 2.35 -1.28 0.12 115.58 118.92 3hf2 h ASN 213 Ca 0.17 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3hf2 h ASN 213 Cb 0.21 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3hf2 h ASN 213 CO -0.24 0.43 -0.31 0.44 -1.65 0.00 0.00 177.43 176.10 3hf2 h ASP 214 N 0.16 -0.79 -0.19 5.81 5.19 -1.13 0.84 116.42 126.32 3hf2 h ASP 214 Ca 0.07 0.05 0.05 0.00 -0.62 0.00 0.00 57.03 56.58 3hf2 h ASP 214 Cb 0.24 0.24 -0.07 0.00 0.18 0.00 0.00 39.33 39.92 3hf2 h ASP 214 CO -0.00 -0.48 -0.36 0.25 -3.12 0.00 0.00 179.24 175.53 3hf2 h LEU 215 N -0.74 -1.15 -0.59 1.55 5.85 -0.78 -1.53 115.31 117.93 3hf2 h LEU 215 Ca -0.05 0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 3hf2 h LEU 215 Cb 0.62 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3hf2 h LEU 215 CO 0.03 -0.38 -0.21 0.58 -0.34 0.00 0.00 178.44 178.13 3hf2 h VAL 216 N -0.41 1.27 -0.11 1.05 2.07 -0.70 -2.78 116.25 116.65 3hf2 h VAL 216 Ca 0.10 -1.35 -0.13 0.00 0.82 0.00 0.00 66.70 66.14 3hf2 h VAL 216 Cb 0.58 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3hf2 h VAL 216 CO -0.41 0.46 -0.51 0.44 0.02 0.00 0.00 177.57 177.57 3hf2 h ASP 217 N 0.79 0.31 -0.15 0.57 3.32 -0.67 -1.20 116.42 119.38 3hf2 h ASP 217 Ca 0.11 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3hf2 h ASP 217 Cb 0.76 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3hf2 h ASP 217 CO 0.06 0.77 0.08 0.50 -1.72 0.00 0.00 179.24 178.94 3hf2 h LYS 218 N 0.23 0.22 0.28 3.56 3.64 -1.20 -1.27 116.57 122.03 3hf2 h LYS 218 Ca 0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3hf2 h LYS 218 Cb 0.98 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 3hf2 h LYS 218 CO 0.08 0.23 -0.29 0.82 -2.27 0.00 0.00 179.45 178.01 3hf2 h ILE 219 N 0.15 0.38 -0.29 2.00 1.08 -1.26 0.82 117.51 120.40 3hf2 h ILE 219 Ca 0.05 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.58 3hf2 h ILE 219 Cb 0.07 0.38 -0.08 0.00 -3.07 0.00 0.00 36.82 34.13 3hf2 h ILE 219 CO -0.01 0.00 -0.48 0.40 -0.69 0.00 0.00 178.15 177.37 3hf2 h ILE 220 N -0.61 0.07 0.22 -0.67 2.04 -1.11 -0.95 117.51 116.50 3hf2 h ILE 220 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 3hf2 h ILE 220 Cb 0.57 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3hf2 h ILE 220 CO -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 177.80 3hf2 h ALA 221 N 0.10 -0.55 -0.85 1.87 0.00 -0.98 -2.76 119.26 116.09 3hf2 h ALA 221 Ca 0.09 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.03 3hf2 h ALA 221 Cb 0.62 0.42 -0.12 0.00 0.00 0.00 0.00 17.79 18.71 3hf2 h ALA 221 CO -0.51 -0.85 -0.41 -0.25 0.00 0.00 0.00 179.25 177.23 3hf2 n ASP 222 N -5.40 -0.71 -4.78 0.00 8.00 0.28 -5.10 116.55 108.85 3hf2 n ASP 222 Ca -0.08 1.49 -0.37 0.00 0.71 0.00 0.00 54.79 56.54 3hf2 n ASP 222 Cb 0.30 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 3hf2 n ASP 222 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3hf2 s ARG 223 N -5.62 4.06 0.12 -1.24 6.06 -0.39 -5.09 118.95 116.84 3hf2 s ARG 223 Ca -0.11 1.66 0.00 0.00 -2.50 0.00 0.00 55.73 54.78 3hf2 s ARG 223 Cb 0.14 -2.56 0.00 0.00 0.06 0.00 0.00 34.95 32.58 3hf2 s ARG 223 CO 0.57 -0.27 0.00 -1.91 -2.50 0.00 0.00 175.30 171.19 3hf2 n GLU 228 N -0.09 -1.61 -5.21 5.12 0.00 -1.26 -5.06 120.64 112.54 3hf2 n GLU 228 Ca 0.05 1.16 -0.32 0.00 0.00 0.00 0.00 57.16 58.06 3hf2 n GLU 228 Cb 0.48 -1.28 -0.16 0.00 0.00 0.00 0.00 31.44 30.48 3hf2 n GLU 228 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3hf2 s GLN 229 N -3.53 2.39 0.35 5.31 -1.52 -1.26 -5.04 119.66 116.37 3hf2 s GLN 229 Ca 0.00 -0.87 0.04 0.00 -1.95 0.00 0.00 55.36 52.57 3hf2 s GLN 229 Cb 0.00 -2.16 -0.05 0.00 -0.22 0.00 0.00 33.01 30.57 3hf2 s GLN 229 CO 0.00 0.49 0.07 -1.12 -0.25 0.00 0.00 175.29 174.48 3hf2 s SER 230 N -0.42 2.58 -0.30 5.90 0.01 -1.26 -5.05 113.70 115.16 3hf2 s SER 230 Ca 0.04 -1.46 -0.01 0.00 1.31 0.00 0.00 55.95 55.83 3hf2 s SER 230 Cb -0.12 0.08 0.18 0.00 0.21 0.00 0.00 66.02 66.37 3hf2 s SER 230 CO 0.01 -0.69 2.10 0.47 0.41 0.00 0.00 173.24 175.54 3hf2 n ASP 231 N -0.86 6.37 -4.65 2.44 10.43 -1.26 -4.78 116.55 124.23 3hf2 n ASP 231 Ca -0.04 -3.02 -0.27 0.00 2.57 0.00 0.00 54.79 54.03 3hf2 n ASP 231 Cb 0.66 -1.08 -0.10 0.00 1.84 0.00 0.00 41.12 42.44 3hf2 n ASP 231 CO 0.00 0.00 0.00 1.51 -1.07 0.00 0.00 177.20 177.64 3hf2 s ASP 232 N 0.36 4.04 0.33 -2.24 1.47 -1.26 -4.68 116.67 114.69 3hf2 s ASP 232 Ca 0.31 -1.29 0.11 0.00 1.18 0.00 0.00 52.55 52.87 3hf2 s ASP 232 Cb 0.24 -0.42 0.57 0.00 -0.34 0.00 0.00 42.92 42.96 3hf2 s ASP 232 CO -0.02 -0.48 1.74 -0.07 0.68 0.00 0.00 175.17 177.02 3hf2 h LEU 233 N 1.67 0.05 -0.34 2.11 3.38 -1.26 -2.95 115.31 117.96 3hf2 h LEU 233 Ca -0.44 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 3hf2 h LEU 233 Cb 1.24 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3hf2 h LEU 233 CO 0.78 0.49 0.01 0.25 0.09 0.00 0.00 178.44 180.06 3hf2 h LEU 234 N 0.04 0.57 -0.06 1.67 5.85 -1.66 -0.03 115.31 121.69 3hf2 h LEU 234 Ca -0.00 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.46 3hf2 h LEU 234 Cb 0.81 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 3hf2 h LEU 234 CO 0.06 0.73 -0.41 0.74 -0.34 0.00 0.00 178.44 179.22 3hf2 h THR 235 N 0.40 0.17 -0.36 1.05 2.02 -1.83 -0.89 112.91 113.46 3hf2 h THR 235 Ca 0.10 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.30 3hf2 h THR 235 Cb 0.43 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3hf2 h THR 235 CO 0.01 0.00 0.24 -0.74 0.37 0.00 0.00 175.52 175.40 3hf2 h HIS 236 N -0.53 0.39 -0.09 3.16 -0.00 -1.35 -1.49 115.15 115.24 3hf2 h HIS 236 Ca 0.06 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 3hf2 h HIS 236 Cb 0.63 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 27.91 3hf2 h HIS 236 CO -0.44 0.23 -0.00 0.52 -0.00 0.00 0.00 177.93 178.24 3hf2 h MET 237 N 0.41 0.16 -0.77 5.26 2.07 -0.12 -1.28 114.93 120.66 3hf2 h MET 237 Ca 0.14 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.71 3hf2 h MET 237 Cb 0.06 -0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 29.74 3hf2 h MET 237 CO -0.03 0.42 0.43 -0.07 1.07 0.00 0.00 176.91 178.74 3hf2 h LEU 238 N -0.13 0.95 -0.32 1.22 3.38 -0.48 -2.37 115.31 117.57 3hf2 h LEU 238 Ca 0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3hf2 h LEU 238 Cb 0.35 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hf2 h LEU 238 CO 0.00 0.76 -0.01 0.59 0.09 0.00 0.00 178.44 179.88 3hf2 n ASN 239 N -4.46 0.51 -4.72 -0.43 4.13 -0.63 -4.94 115.26 104.73 3hf2 n ASN 239 Ca 0.07 -1.09 -0.38 0.00 1.68 0.00 0.00 54.58 54.86 3hf2 n ASN 239 Cb 0.08 -0.01 -0.06 0.00 -1.54 0.00 0.00 39.78 38.24 3hf2 n ASN 239 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3hf2 s GLY 240 N -2.06 2.33 -0.06 7.41 0.00 -0.49 -5.06 107.32 109.40 3hf2 s GLY 240 Ca 0.43 -0.27 0.03 0.00 0.00 0.00 0.00 44.72 44.91 3hf2 s GLY 240 CO 0.37 0.71 -0.15 0.54 0.00 0.00 0.00 173.10 174.57 3hf2 s LYS 241 N 0.66 2.57 -0.01 2.90 1.02 -1.26 -4.21 119.74 121.40 3hf2 s LYS 241 Ca 0.23 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 3hf2 s LYS 241 Cb -0.15 -2.39 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 3hf2 s LYS 241 CO 0.09 0.58 1.23 0.34 -0.92 0.00 0.00 175.35 176.66 3hf2 s ASP 242 N -0.62 7.03 0.28 2.83 2.15 0.44 -4.78 116.67 124.00 3hf2 s ASP 242 Ca 0.09 1.91 0.02 0.00 0.43 0.00 0.00 52.55 55.00 3hf2 s ASP 242 Cb -0.11 -2.56 0.59 0.00 -0.30 0.00 0.00 42.92 40.54 3hf2 s ASP 242 CO 0.01 -0.57 1.80 -0.65 -0.17 0.00 0.00 175.17 175.59 3hf2 h PRO 243 N 7.32 0.81 0.42 4.34 0.11 -1.90 0.62 132.00 143.72 3hf2 h PRO 243 Ca -0.37 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 3hf2 h PRO 243 Cb 1.18 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3hf2 h PRO 243 CO 0.86 0.54 -0.20 0.93 -0.21 0.00 0.00 178.00 179.92 3hf2 h GLU 244 N 0.84 -0.54 0.00 1.05 5.08 -1.97 -3.34 114.58 115.70 3hf2 h GLU 244 Ca 0.51 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 3hf2 h GLU 244 Cb 0.64 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3hf2 h GLU 244 CO -0.32 -0.36 -0.19 1.79 -1.00 0.00 0.00 179.01 178.93 3hf2 h THR 245 N -1.00 0.00 0.00 1.13 1.35 -1.99 -3.47 112.91 108.93 3hf2 h THR 245 Ca -0.06 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3hf2 h THR 245 Cb 0.43 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3hf2 h THR 245 CO 0.09 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 3hf2 n GLY 246 N 1.20 0.50 3.89 5.82 0.00 0.21 -5.01 105.19 111.80 3hf2 n GLY 246 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3hf2 n GLY 246 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hf2 s GLU 247 N -0.44 3.69 0.76 1.61 2.02 -1.25 -4.63 118.70 120.46 3hf2 s GLU 247 Ca 0.00 0.06 -0.09 0.00 0.02 0.00 0.00 54.97 54.95 3hf2 s GLU 247 Cb 0.00 -2.80 0.07 0.00 0.10 0.00 0.00 34.13 31.50 3hf2 s GLU 247 CO 0.00 0.43 1.10 -1.25 0.02 0.00 0.00 175.26 175.56 3hf2 s PRO 248 N -2.63 2.08 0.32 0.39 0.04 -1.26 -0.42 135.00 133.52 3hf2 s PRO 248 Ca 0.42 -0.07 -0.27 0.00 0.04 0.00 0.00 61.00 61.12 3hf2 s PRO 248 Cb -0.12 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 3hf2 s PRO 248 CO 0.23 -1.42 1.06 -0.51 0.04 0.00 0.00 177.00 176.39 3hf2 s LEU 249 N -5.42 4.41 0.55 -3.56 1.43 -1.26 -4.95 118.68 109.89 3hf2 s LEU 249 Ca 0.61 2.13 -0.16 0.00 -1.03 0.00 0.00 54.13 55.68 3hf2 s LEU 249 Cb -0.11 -3.83 -0.06 0.00 0.03 0.00 0.00 46.19 42.22 3hf2 s LEU 249 CO 0.47 -0.22 1.02 1.51 0.23 0.00 0.00 176.35 179.36 3hf2 s ASP 250 N -1.18 6.23 0.34 2.29 1.47 -1.26 -4.86 116.67 119.69 3hf2 s ASP 250 Ca 0.49 1.68 0.13 0.00 1.18 0.00 0.00 52.55 56.02 3hf2 s ASP 250 Cb -0.27 -2.52 1.01 0.00 -0.34 0.00 0.00 42.92 40.80 3hf2 s ASP 250 CO 0.35 -0.86 1.69 0.44 0.68 0.00 0.00 175.17 177.47 3hf2 h ASP 251 N 0.65 0.58 0.17 2.11 3.32 -1.98 -0.49 116.42 120.79 3hf2 h ASP 251 Ca -0.47 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 3hf2 h ASP 251 Cb 1.20 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3hf2 h ASP 251 CO 0.60 -0.03 -0.08 -0.08 -1.72 0.00 0.00 179.24 177.93 3hf2 h GLU 252 N 0.44 -0.23 -0.90 3.56 4.81 -1.99 -0.19 114.58 120.07 3hf2 h GLU 252 Ca 0.69 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 60.08 3hf2 h GLU 252 Cb 1.49 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.85 3hf2 h GLU 252 CO -0.54 0.13 0.58 -0.97 -0.73 0.00 0.00 179.01 177.48 3hf2 h ASN 253 N -0.62 0.70 -0.84 1.04 -0.73 -1.75 0.46 115.58 113.83 3hf2 h ASN 253 Ca -0.02 0.04 0.01 0.00 1.87 0.00 0.00 56.30 58.19 3hf2 h ASN 253 Cb 0.46 -0.10 -0.04 0.00 0.27 0.00 0.00 38.32 38.91 3hf2 h ASN 253 CO 0.04 0.36 0.56 0.40 -0.37 0.00 0.00 177.43 178.42 3hf2 h ILE 254 N 0.75 1.22 -0.27 2.57 2.04 -0.91 -0.40 117.51 122.51 3hf2 h ILE 254 Ca 0.45 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 3hf2 h ILE 254 Cb 0.66 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3hf2 h ILE 254 CO -0.21 0.21 0.16 -0.09 0.00 0.00 0.00 178.15 178.22 3hf2 h ARG 255 N 1.14 0.37 -0.66 2.37 2.43 0.89 -2.45 114.38 118.48 3hf2 h ARG 255 Ca 0.31 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.45 3hf2 h ARG 255 Cb -0.13 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 3hf2 h ARG 255 CO -0.07 0.30 0.43 1.88 -1.51 0.00 0.00 179.97 181.01 3hf2 h TYR 256 N 0.34 0.82 -0.45 2.20 0.05 0.24 -2.38 116.97 117.79 3hf2 h TYR 256 Ca 0.10 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.80 3hf2 h TYR 256 Cb 0.03 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.48 3hf2 h TYR 256 CO -0.04 0.51 -0.09 1.96 -1.05 0.00 0.00 178.16 179.45 3hf2 h GLN 257 N 0.88 0.86 -0.14 4.88 1.08 -0.97 -0.46 115.11 121.23 3hf2 h GLN 257 Ca 0.24 -0.32 -0.02 0.00 -1.45 0.00 0.00 58.65 57.11 3hf2 h GLN 257 Cb -0.09 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 3hf2 h GLN 257 CO -0.05 0.96 0.03 0.82 -0.95 0.00 0.00 178.83 179.63 3hf2 h ILE 258 N 0.70 1.21 -0.38 2.54 2.04 -1.04 0.12 117.51 122.70 3hf2 h ILE 258 Ca 0.12 -0.67 0.08 0.00 1.00 0.00 0.00 64.86 65.38 3hf2 h ILE 258 Cb 0.63 1.39 -0.08 0.00 -0.74 0.00 0.00 36.82 38.01 3hf2 h ILE 258 CO 0.04 0.20 -0.21 0.40 0.00 0.00 0.00 178.15 178.59 3hf2 h ILE 259 N 0.02 0.41 -0.76 -0.67 2.04 -1.41 -2.21 117.51 114.94 3hf2 h ILE 259 Ca 0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.00 3hf2 h ILE 259 Cb 0.28 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 3hf2 h ILE 259 CO 0.00 0.00 0.40 0.74 0.00 0.00 0.00 178.15 179.30 3hf2 h THR 260 N -0.14 0.88 -0.83 -0.27 2.02 -0.59 -0.69 112.91 113.28 3hf2 h THR 260 Ca 0.19 -0.23 0.16 0.00 0.77 0.00 0.00 66.41 67.29 3hf2 h THR 260 Cb 0.43 0.13 -0.10 0.00 -1.74 0.00 0.00 68.15 66.88 3hf2 h THR 260 CO -0.46 0.12 0.38 -0.26 0.37 0.00 0.00 175.52 175.67 3hf2 h PHE 261 N 0.68 0.66 0.02 3.16 0.04 -0.14 0.41 116.94 121.78 3hf2 h PHE 261 Ca 0.37 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 61.17 3hf2 h PHE 261 Cb 0.36 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.34 3hf2 h PHE 261 CO -0.09 0.10 -0.01 -0.07 -0.60 0.00 0.00 178.31 177.65 3hf2 h LEU 262 N 0.52 -0.02 -1.16 1.54 3.38 -1.27 0.26 115.31 118.56 3hf2 h LEU 262 Ca 0.46 -0.65 0.13 0.00 0.09 0.00 0.00 57.88 57.91 3hf2 h LEU 262 Cb 0.72 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 3hf2 h LEU 262 CO -0.41 0.66 0.60 0.40 0.09 0.00 0.00 178.44 179.78 3hf2 h ILE 263 N -0.72 0.88 0.06 1.22 5.03 -0.83 -3.13 117.51 120.02 3hf2 h ILE 263 Ca -0.00 -0.29 -0.33 0.00 -0.12 0.00 0.00 64.86 64.12 3hf2 h ILE 263 Cb 0.67 -0.03 -0.04 0.00 -3.03 0.00 0.00 36.82 34.40 3hf2 h ILE 263 CO 0.00 0.15 -1.91 0.00 -0.68 0.00 0.00 178.15 175.71 3hf2 n ALA 264 N -2.39 1.22 -2.84 1.87 0.00 0.14 -4.64 120.51 113.87 3hf2 n ALA 264 Ca 0.18 -0.73 -0.16 0.00 0.00 0.00 0.00 53.44 52.72 3hf2 n ALA 264 Cb 0.41 -0.70 -0.00 0.00 0.00 0.00 0.00 19.45 19.15 3hf2 n ALA 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hf2 n GLY 265 N 1.80 3.29 1.54 0.00 0.00 0.08 -4.46 105.19 107.44 3hf2 n GLY 265 Ca -0.26 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3hf2 n GLY 265 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3hf2 n HIS 266 N -0.03 0.00 -0.02 1.61 1.44 -1.18 -4.75 115.22 112.29 3hf2 n HIS 266 Ca 0.21 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.87 3hf2 n HIS 266 Cb 0.70 0.32 0.17 0.00 0.12 0.00 0.00 29.99 31.30 3hf2 n HIS 266 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 3hf2 h GLU 267 N 0.00 0.57 -0.47 -1.40 4.39 -1.84 -0.28 114.58 115.56 3hf2 h GLU 267 Ca 0.00 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.43 3hf2 h GLU 267 Cb 0.29 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3hf2 h GLU 267 CO 0.00 0.76 0.10 1.79 -1.16 0.00 0.00 179.01 180.50 3hf2 h THR 268 N 0.50 1.24 -0.18 1.13 1.35 -1.89 0.04 112.91 115.10 3hf2 h THR 268 Ca 0.07 -0.87 -0.19 0.00 -0.55 0.00 0.00 66.41 64.88 3hf2 h THR 268 Cb 0.68 0.90 0.01 0.00 -1.73 0.00 0.00 68.15 68.01 3hf2 h THR 268 CO 0.05 0.31 -0.63 0.74 -0.25 0.00 0.00 175.52 175.74 3hf2 h THR 269 N 0.64 1.30 0.04 6.82 2.02 -1.84 -1.37 112.91 120.51 3hf2 h THR 269 Ca 0.14 -1.85 0.02 0.00 0.77 0.00 0.00 66.41 65.50 3hf2 h THR 269 Cb 0.35 1.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 3hf2 h THR 269 CO 0.01 0.58 -0.20 -1.28 0.37 0.00 0.00 175.52 175.00 3hf2 h SER 270 N 0.47 -0.58 -0.64 4.18 0.87 -1.01 -1.73 113.55 115.11 3hf2 h SER 270 Ca -0.03 0.08 0.12 0.00 -1.23 0.00 0.00 61.79 60.73 3hf2 h SER 270 Cb 1.26 0.23 -0.09 0.00 -0.44 0.00 0.00 62.40 63.36 3hf2 h SER 270 CO 0.13 -0.27 0.15 1.23 -0.53 0.00 0.00 176.83 177.54 3hf2 h GLY 271 N -0.34 0.85 0.89 5.77 0.00 -0.87 -2.07 103.07 107.29 3hf2 h GLY 271 Ca 0.05 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3hf2 h GLY 271 CO -0.16 -0.13 0.11 -2.00 0.00 0.00 0.00 176.54 174.36 3hf2 h LEU 272 N 0.28 0.15 -1.11 3.11 5.85 -0.63 0.99 115.31 123.96 3hf2 h LEU 272 Ca 0.34 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 59.01 3hf2 h LEU 272 Cb 0.53 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3hf2 h LEU 272 CO -0.42 0.12 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.67 3hf2 h LEU 273 N 0.23 0.54 -0.10 2.25 3.38 -1.16 0.26 115.31 120.70 3hf2 h LEU 273 Ca 0.09 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3hf2 h LEU 273 Cb 0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3hf2 h LEU 273 CO -0.07 0.65 -0.13 0.28 0.09 0.00 0.00 178.44 179.26 3hf2 h SER 274 N 0.53 0.29 -0.90 -0.43 0.02 -0.93 -0.70 113.55 111.45 3hf2 h SER 274 Ca 0.11 -0.51 0.02 0.00 -0.84 0.00 0.00 61.79 60.56 3hf2 h SER 274 Cb 0.42 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.83 3hf2 h SER 274 CO 0.02 0.75 0.59 -0.26 -1.14 0.00 0.00 176.83 176.79 3hf2 h PHE 275 N -0.15 1.11 -0.28 3.45 0.04 -0.69 -0.87 116.94 119.56 3hf2 h PHE 275 Ca 0.01 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3hf2 h PHE 275 Cb 0.67 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 3hf2 h PHE 275 CO 0.10 0.68 0.12 0.00 -0.60 0.00 0.00 178.31 178.61 3hf2 h ALA 276 N 1.34 0.36 -0.72 2.45 0.00 -0.81 -0.06 119.26 121.83 3hf2 h ALA 276 Ca 0.34 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3hf2 h ALA 276 Cb -0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3hf2 h ALA 276 CO -0.09 -0.07 0.36 1.25 0.00 0.00 0.00 179.25 180.71 3hf2 h LEU 277 N 0.31 0.92 0.29 0.00 5.85 -0.97 -0.52 115.31 121.20 3hf2 h LEU 277 Ca 0.09 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3hf2 h LEU 277 Cb 0.14 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3hf2 h LEU 277 CO -0.01 0.78 -0.39 0.22 -0.34 0.00 0.00 178.44 178.70 3hf2 h TYR 278 N 1.00 -1.07 -0.98 1.25 3.20 -0.77 -1.38 116.97 118.22 3hf2 h TYR 278 Ca 0.25 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.22 3hf2 h TYR 278 Cb 0.09 0.43 -0.07 0.00 1.54 0.00 0.00 36.73 38.72 3hf2 h TYR 278 CO 0.00 -0.52 0.63 0.74 -1.64 0.00 0.00 178.16 177.37 3hf2 h PHE 279 N -0.73 1.14 -0.02 -3.82 0.04 -0.79 -0.95 116.94 111.81 3hf2 h PHE 279 Ca -0.01 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3hf2 h PHE 279 Cb 0.69 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 3hf2 h PHE 279 CO -0.26 0.54 0.01 -0.07 -0.60 0.00 0.00 178.31 177.93 3hf2 h LEU 280 N 1.07 0.03 -1.84 1.54 3.38 -0.82 -0.82 115.31 117.84 3hf2 h LEU 280 Ca 0.45 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 3hf2 h LEU 280 Cb 0.31 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hf2 h LEU 280 CO -0.20 0.15 -0.11 -0.37 0.09 0.00 0.00 178.44 178.00 3hf2 h VAL 281 N -0.09 0.98 0.00 1.22 -1.51 -0.81 -1.87 116.25 114.17 3hf2 h VAL 281 Ca 0.01 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 3hf2 h VAL 281 Cb 0.13 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 3hf2 h VAL 281 CO -0.00 0.11 -0.14 0.29 -1.23 0.00 0.00 177.57 176.59 3hf2 n LYS 282 N -4.25 0.06 -3.55 5.19 4.76 -0.40 -4.42 118.16 115.55 3hf2 n LYS 282 Ca -0.03 0.04 -0.27 0.00 -2.87 0.00 0.00 58.31 55.19 3hf2 n LYS 282 Cb 0.19 -1.56 -0.10 0.00 -1.84 0.00 0.00 35.03 31.72 3hf2 n LYS 282 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3hf2 n ASN 283 N -1.67 1.26 0.27 4.39 3.02 -0.36 -5.02 115.26 117.15 3hf2 n ASN 283 Ca 0.06 -2.82 0.14 0.00 -0.03 0.00 0.00 54.58 51.94 3hf2 n ASN 283 Cb 0.36 -0.65 0.76 0.00 -0.61 0.00 0.00 39.78 39.64 3hf2 n ASN 283 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3hf2 h PRO 284 N 5.20 0.00 -0.09 3.52 0.13 -1.77 0.10 132.00 139.10 3hf2 h PRO 284 Ca 0.20 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.22 3hf2 h PRO 284 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 3hf2 h PRO 284 CO 0.55 0.10 -0.43 0.45 -0.23 0.00 0.00 178.00 178.45 3hf2 h HIS 285 N 0.00 0.24 -0.03 1.56 3.86 -1.95 -1.08 115.15 117.74 3hf2 h HIS 285 Ca -0.00 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 3hf2 h HIS 285 Cb 0.34 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 3hf2 h HIS 285 CO 0.00 0.60 -0.04 0.28 0.86 0.00 0.00 177.93 179.62 3hf2 h VAL 286 N 0.17 1.40 -0.74 2.45 2.07 -1.15 -2.27 116.25 118.18 3hf2 h VAL 286 Ca 0.01 -1.26 0.13 0.00 0.82 0.00 0.00 66.70 66.40 3hf2 h VAL 286 Cb 0.82 2.17 -0.09 0.00 -1.52 0.00 0.00 31.29 32.68 3hf2 h VAL 286 CO 0.06 0.34 0.32 0.25 0.02 0.00 0.00 177.57 178.56 3hf2 h LEU 287 N -0.40 0.34 -0.40 2.57 6.46 -1.32 -0.49 115.31 122.07 3hf2 h LEU 287 Ca 0.00 0.09 -0.07 0.00 -0.12 0.00 0.00 57.88 57.79 3hf2 h LEU 287 Cb 0.57 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 3hf2 h LEU 287 CO 0.01 0.16 -0.01 -0.61 -0.62 0.00 0.00 178.44 177.37 3hf2 h GLN 288 N 0.49 0.72 -0.69 1.25 4.15 -1.17 0.20 115.11 120.06 3hf2 h GLN 288 Ca 0.39 -0.23 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 3hf2 h GLN 288 Cb 0.55 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 3hf2 h GLN 288 CO -0.36 0.81 0.43 -0.22 -1.93 0.00 0.00 178.83 177.56 3hf2 h LYS 289 N 0.54 0.93 -0.48 1.69 3.64 -0.96 -0.21 116.57 121.72 3hf2 h LYS 289 Ca 0.11 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 3hf2 h LYS 289 Cb 0.49 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3hf2 h LYS 289 CO 0.02 0.65 0.03 0.00 -2.27 0.00 0.00 179.45 177.88 3hf2 h ALA 290 N 1.23 0.64 -0.51 5.00 0.00 -0.81 -2.50 119.26 122.31 3hf2 h ALA 290 Ca 0.25 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3hf2 h ALA 290 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3hf2 h ALA 290 CO -0.05 0.41 0.07 0.00 0.00 0.00 0.00 179.25 179.68 3hf2 h ALA 291 N 0.94 1.16 -0.46 0.00 0.00 -0.37 -0.94 119.26 119.58 3hf2 h ALA 291 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3hf2 h ALA 291 Cb 0.46 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hf2 h ALA 291 CO 0.02 0.56 0.24 0.93 0.00 0.00 0.00 179.25 180.99 3hf2 h GLU 292 N 0.77 0.65 0.09 0.00 5.08 -0.97 -0.92 114.58 119.28 3hf2 h GLU 292 Ca 0.16 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3hf2 h GLU 292 Cb 0.37 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3hf2 h GLU 292 CO 0.01 0.53 -0.07 1.49 -1.00 0.00 0.00 179.01 179.97 3hf2 h GLU 293 N 0.61 -0.17 -0.53 2.33 4.81 -0.96 -0.28 114.58 120.38 3hf2 h GLU 293 Ca 0.16 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.51 3hf2 h GLU 293 Cb 0.08 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.40 3hf2 h GLU 293 CO -0.02 -0.11 -0.16 0.00 -0.73 0.00 0.00 179.01 177.99 3hf2 h ALA 294 N 0.73 0.30 -0.69 2.92 0.00 -1.06 0.17 119.26 121.63 3hf2 h ALA 294 Ca -0.00 0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3hf2 h ALA 294 Cb 0.16 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3hf2 h ALA 294 CO -0.01 -0.47 0.14 0.00 0.00 0.00 0.00 179.25 178.91 3hf2 h ALA 295 N 1.46 0.94 -0.07 0.00 0.00 -0.94 0.77 119.26 121.42 3hf2 h ALA 295 Ca 0.25 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3hf2 h ALA 295 Cb 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hf2 h ALA 295 CO -0.56 0.67 -0.71 -0.09 0.00 0.00 0.00 179.25 178.55 3hf2 h ARG 296 N 1.06 0.35 0.07 0.00 2.43 -0.03 -3.36 114.38 114.89 3hf2 h ARG 296 Ca 0.21 -0.28 -0.29 0.00 -0.81 0.00 0.00 59.98 58.81 3hf2 h ARG 296 Cb 0.41 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3hf2 h ARG 296 CO 0.01 0.92 -1.58 0.28 -1.51 0.00 0.00 179.97 178.09 3hf2 h VAL 297 N 0.24 0.81 -0.32 0.20 2.07 -0.63 -3.41 116.25 115.21 3hf2 h VAL 297 Ca -0.03 -2.27 -0.71 0.00 0.82 0.00 0.00 66.70 64.51 3hf2 h VAL 297 Cb 1.27 2.40 -0.04 0.00 -1.52 0.00 0.00 31.29 33.40 3hf2 h VAL 297 CO 0.12 0.60 3.15 0.18 0.02 0.00 0.00 177.57 181.64 3hf2 n LEU 298 N -3.98 7.62 0.18 2.57 4.77 0.26 -4.66 117.00 123.75 3hf2 n LEU 298 Ca -0.31 -4.37 0.14 0.00 -0.03 0.00 0.00 56.01 51.43 3hf2 n LEU 298 Cb 0.86 -1.57 0.48 0.00 -2.33 0.00 0.00 43.42 40.86 3hf2 n LEU 298 CO 0.32 1.58 0.89 -0.37 -1.33 0.00 0.00 177.39 178.48 3hf2 h VAL 299 N 3.47 0.00 -2.27 4.08 -1.51 -1.80 -3.46 116.25 114.76 3hf2 h VAL 299 Ca 0.66 -0.47 -0.48 0.00 -1.23 0.00 0.00 66.70 65.18 3hf2 h VAL 299 Cb 0.48 1.38 -0.02 0.00 -2.13 0.00 0.00 31.29 31.00 3hf2 h VAL 299 CO 1.77 0.00 -0.44 -1.81 -1.23 0.00 0.00 177.57 175.86 3hf2 s ASP 300 N -4.99 6.26 0.47 4.19 1.01 -1.26 -5.02 116.67 117.33 3hf2 s ASP 300 Ca 0.05 0.07 0.16 0.00 0.71 0.00 0.00 52.55 53.54 3hf2 s ASP 300 Cb 0.09 -1.84 1.14 0.00 1.01 0.00 0.00 42.92 43.32 3hf2 s ASP 300 CO 0.52 -0.04 2.02 -0.65 0.21 0.00 0.00 175.17 177.22 3hf2 h PRO 301 N 1.39 0.26 -5.08 8.23 0.11 -1.88 -3.41 132.00 131.63 3hf2 h PRO 301 Ca -0.51 -0.02 -0.35 0.00 0.11 0.00 0.00 66.00 65.23 3hf2 h PRO 301 Cb 1.22 -0.06 -0.19 0.00 0.11 0.00 0.00 31.00 32.08 3hf2 h PRO 301 CO 0.62 0.17 -0.75 0.14 -0.21 0.00 0.00 178.00 177.98 3hf2 s VAL 302 N -5.26 0.99 0.28 3.15 -7.23 -1.26 -4.59 120.40 106.48 3hf2 s VAL 302 Ca -0.07 -1.51 -0.29 0.00 -1.81 0.00 0.00 61.98 58.31 3hf2 s VAL 302 Cb 0.19 -1.23 -0.09 0.00 0.56 0.00 0.00 36.38 35.81 3hf2 s VAL 302 CO 0.73 -0.44 1.05 -2.84 -0.31 0.00 0.00 175.10 173.29 3hf2 s PRO 303 N -2.38 4.66 0.59 4.82 0.02 -1.26 -5.00 135.00 136.46 3hf2 s PRO 303 Ca 0.02 1.68 -0.06 0.00 0.02 0.00 0.00 61.00 62.66 3hf2 s PRO 303 Cb -0.06 -3.15 0.01 0.00 0.02 0.00 0.00 34.50 31.33 3hf2 s PRO 303 CO 0.01 0.27 0.90 -1.54 -0.33 0.00 0.00 177.00 176.31 3hf2 s SER 304 N -1.05 5.53 0.19 2.53 1.04 -1.26 -4.98 113.70 115.71 3hf2 s SER 304 Ca 0.45 0.67 -0.14 0.00 0.48 0.00 0.00 55.95 57.41 3hf2 s SER 304 Cb -0.29 -1.64 0.19 0.00 0.10 0.00 0.00 66.02 64.38 3hf2 s SER 304 CO 0.37 -1.10 1.65 0.22 0.98 0.00 0.00 173.24 175.36 3hf2 h TYR 305 N -0.19 -0.24 -0.63 5.02 3.20 -1.96 -2.75 116.97 119.43 3hf2 h TYR 305 Ca -0.45 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.40 3hf2 h TYR 305 Cb 1.26 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.70 3hf2 h TYR 305 CO 0.46 -0.22 0.14 0.87 -1.64 0.00 0.00 178.16 177.78 3hf2 h LYS 306 N 0.02 1.01 -0.99 1.82 1.57 -1.99 -2.60 116.57 115.41 3hf2 h LYS 306 Ca 0.27 -0.25 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 3hf2 h LYS 306 Cb 0.41 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 3hf2 h LYS 306 CO -0.54 0.92 0.64 1.96 -0.57 0.00 0.00 179.45 181.85 3hf2 h GLN 307 N 0.93 1.12 -0.39 3.15 4.20 -1.90 -2.04 115.11 120.18 3hf2 h GLN 307 Ca 0.20 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 3hf2 h GLN 307 Cb 0.37 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3hf2 h GLN 307 CO 0.00 0.74 0.11 0.28 -0.67 0.00 0.00 178.83 179.30 3hf2 h VAL 308 N 1.15 1.22 0.00 -0.54 2.07 -1.18 0.11 116.25 119.08 3hf2 h VAL 308 Ca 0.43 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3hf2 h VAL 308 Cb 0.17 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3hf2 h VAL 308 CO -0.17 0.25 0.18 0.29 0.02 0.00 0.00 177.57 178.14 3hf2 n LYS 309 N -4.60 0.07 0.00 1.57 5.02 -0.81 -1.61 118.16 117.80 3hf2 n LYS 309 Ca -0.01 0.52 0.09 0.00 -2.02 0.00 0.00 58.31 56.89 3hf2 n LYS 309 Cb 0.19 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 3hf2 n LYS 309 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3hf2 n GLN 310 N -1.87 1.59 -1.64 1.97 -0.06 0.37 -4.64 117.38 113.11 3hf2 n GLN 310 Ca -0.01 -0.89 -0.42 0.00 -2.00 0.00 0.00 57.00 53.69 3hf2 n GLN 310 Cb 0.20 -1.31 -0.02 0.00 -4.06 0.00 0.00 30.24 25.04 3hf2 n GLN 310 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3hf2 n LEU 311 N -0.04 5.67 0.12 1.69 4.77 -0.63 -4.75 117.00 123.82 3hf2 n LEU 311 Ca 0.07 -3.69 -0.13 0.00 -0.03 0.00 0.00 56.01 52.23 3hf2 n LEU 311 Cb 0.37 -1.50 -0.08 0.00 -2.33 0.00 0.00 43.42 39.88 3hf2 n LEU 311 CO 0.21 0.44 0.79 0.50 -1.33 0.00 0.00 177.39 178.00 3hf2 h LYS 312 N 6.89 -0.21 -0.36 3.23 3.64 -1.86 -1.43 116.57 126.47 3hf2 h LYS 312 Ca 0.50 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.78 3hf2 h LYS 312 Cb 0.68 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 3hf2 h LYS 312 CO 1.85 -0.11 -0.22 -0.92 -2.27 0.00 0.00 179.45 177.78 3hf2 h TYR 313 N -0.27 0.80 -0.58 1.91 3.20 -1.97 -1.20 116.97 118.87 3hf2 h TYR 313 Ca -0.02 -0.18 -0.03 0.00 3.14 0.00 0.00 58.73 61.64 3hf2 h TYR 313 Cb 0.21 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3hf2 h TYR 313 CO -0.05 0.87 0.23 0.28 -1.64 0.00 0.00 178.16 177.84 3hf2 h VAL 314 N 0.62 1.21 -0.67 1.81 2.07 -1.87 0.16 116.25 119.59 3hf2 h VAL 314 Ca 0.09 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 3hf2 h VAL 314 Cb 0.71 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3hf2 h VAL 314 CO 0.05 0.26 0.25 1.23 0.02 0.00 0.00 177.57 179.38 3hf2 h GLY 315 N 0.95 1.07 1.15 2.17 0.00 -0.32 -1.68 103.07 106.39 3hf2 h GLY 315 Ca 0.20 -0.57 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 3hf2 h GLY 315 CO -0.02 0.54 -0.27 -0.33 0.00 0.00 0.00 176.54 176.45 3hf2 h MET 316 N 0.97 0.96 -0.43 4.80 2.07 -0.04 -0.97 114.93 122.29 3hf2 h MET 316 Ca 0.22 -0.44 0.02 0.00 -2.07 0.00 0.00 59.70 57.44 3hf2 h MET 316 Cb 0.21 -0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 29.89 3hf2 h MET 316 CO -0.02 1.11 0.25 0.28 1.07 0.00 0.00 176.91 179.60 3hf2 h VAL 317 N 0.81 1.04 -0.46 -2.22 2.07 -0.70 -0.62 116.25 116.16 3hf2 h VAL 317 Ca 0.09 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 3hf2 h VAL 317 Cb 0.85 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3hf2 h VAL 317 CO 0.08 0.09 0.00 -0.07 0.02 0.00 0.00 177.57 177.69 3hf2 h LEU 318 N 0.51 0.80 -0.78 2.57 3.38 -0.98 -0.85 115.31 119.96 3hf2 h LEU 318 Ca 0.17 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3hf2 h LEU 318 Cb 0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3hf2 h LEU 318 CO -0.08 0.91 0.45 0.78 0.09 0.00 0.00 178.44 180.59 3hf2 h ASN 319 N 0.67 0.95 -0.54 -0.43 -0.26 -0.92 -0.85 115.58 114.20 3hf2 h ASN 319 Ca 0.13 -0.08 -0.07 0.00 -0.56 0.00 0.00 56.30 55.72 3hf2 h ASN 319 Cb 0.50 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 3hf2 h ASN 319 CO 0.02 0.75 0.08 -0.08 -1.06 0.00 0.00 177.43 177.15 3hf2 h GLU 320 N 1.07 0.94 -0.85 0.81 4.57 -0.90 0.19 114.58 120.42 3hf2 h GLU 320 Ca 0.28 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 3hf2 h GLU 320 Cb -0.01 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 3hf2 h GLU 320 CO -0.05 0.88 0.44 0.00 -1.18 0.00 0.00 179.01 179.10 3hf2 h ALA 321 N 1.20 1.09 0.00 2.92 0.00 -0.83 -2.35 119.26 121.29 3hf2 h ALA 321 Ca 0.18 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3hf2 h ALA 321 Cb 0.41 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hf2 h ALA 321 CO 0.01 0.62 -0.36 -0.07 0.00 0.00 0.00 179.25 179.45 3hf2 h LEU 322 N 1.19 0.00 -0.09 0.00 3.38 -0.39 0.14 115.31 119.53 3hf2 h LEU 322 Ca 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 3hf2 h LEU 322 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hf2 h LEU 322 CO -0.04 0.36 0.02 -0.09 0.09 0.00 0.00 178.44 178.78 3hf2 h ARG 323 N 0.00 0.14 0.02 1.13 2.43 -0.15 -2.18 114.38 115.78 3hf2 h ARG 323 Ca -0.00 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 3hf2 h ARG 323 Cb 0.68 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.23 3hf2 h ARG 323 CO 0.05 0.33 -0.66 -0.07 -1.51 0.00 0.00 179.97 178.11 3hf2 h LEU 324 N -0.06 0.55 -6.28 3.80 3.38 -1.26 -3.39 115.31 112.03 3hf2 h LEU 324 Ca 0.03 -0.78 -0.58 0.00 0.09 0.00 0.00 57.88 56.63 3hf2 h LEU 324 Cb 0.25 -0.17 -0.40 0.00 0.09 0.00 0.00 40.66 40.43 3hf2 h LEU 324 CO 0.00 1.26 -0.90 0.79 0.09 0.00 0.00 178.44 179.68 3hf2 n TRP 325 N -4.18 0.75 -1.69 1.13 7.02 0.47 -4.89 117.44 116.05 3hf2 n TRP 325 Ca -0.11 -3.71 -0.43 0.00 -1.02 0.00 0.00 57.50 52.24 3hf2 n TRP 325 Cb 0.70 -0.26 -0.03 0.00 -2.42 0.00 0.00 31.31 29.30 3hf2 n TRP 325 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3hf2 n PRO 326 N 1.76 2.76 0.12 -0.99 -0.04 -0.82 -4.59 135.00 133.21 3hf2 n PRO 326 Ca 0.25 1.00 0.13 0.00 -0.04 0.00 0.00 63.50 64.84 3hf2 n PRO 326 Cb 0.47 -2.89 0.31 0.00 -0.04 0.00 0.00 33.50 31.35 3hf2 n PRO 326 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3hf2 h THR 327 N 4.62 0.00 -3.55 0.52 1.35 -1.87 -3.22 112.91 110.77 3hf2 h THR 327 Ca -0.46 -0.58 -0.71 0.00 -0.55 0.00 0.00 66.41 64.11 3hf2 h THR 327 Cb 1.22 1.49 -0.33 0.00 -1.73 0.00 0.00 68.15 68.80 3hf2 h THR 327 CO 0.95 0.00 -0.33 0.00 -0.25 0.00 0.00 175.52 175.89 3hf2 s ALA 328 N -3.14 3.58 -1.61 6.62 0.00 -1.26 -2.07 121.76 123.88 3hf2 s ALA 328 Ca 0.09 -3.11 0.28 0.00 0.00 0.00 0.00 51.96 49.22 3hf2 s ALA 328 Cb 0.11 -2.76 1.02 0.00 0.00 0.00 0.00 23.12 21.49 3hf2 s ALA 328 CO 0.64 -2.07 1.73 -0.35 0.00 0.00 0.00 175.76 175.71 3hf2 n PRO 329 N 3.83 0.66 -4.02 0.00 -0.04 -1.22 -4.81 135.00 129.41 3hf2 n PRO 329 Ca 0.06 -0.29 -0.11 0.00 -0.04 0.00 0.00 63.50 63.11 3hf2 n PRO 329 Cb 0.40 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 3hf2 n PRO 329 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hf2 s ALA 330 N -2.54 0.32 0.04 0.55 0.00 -1.26 -1.17 121.76 117.70 3hf2 s ALA 330 Ca 0.25 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.60 3hf2 s ALA 330 Cb 0.20 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 3hf2 s ALA 330 CO 0.51 -0.08 -0.05 -0.59 0.00 0.00 0.00 175.76 175.55 3hf2 s PHE 331 N -1.30 0.48 0.02 0.00 -0.71 -1.15 -4.99 117.98 110.33 3hf2 s PHE 331 Ca -0.12 -0.61 0.02 0.00 -1.04 0.00 0.00 56.93 55.18 3hf2 s PHE 331 Cb -0.09 -0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 41.37 3hf2 s PHE 331 CO -0.00 -0.17 0.02 0.45 -1.34 0.00 0.00 175.22 174.17 3hf2 s SER 332 N -1.78 5.21 0.13 1.98 0.15 -1.26 -0.39 113.70 117.73 3hf2 s SER 332 Ca -0.09 -0.01 0.04 0.00 0.70 0.00 0.00 55.95 56.59 3hf2 s SER 332 Cb -0.07 -1.36 -0.04 0.00 -1.71 0.00 0.00 66.02 62.84 3hf2 s SER 332 CO -0.02 0.26 -0.11 -0.76 1.20 0.00 0.00 173.24 173.81 3hf2 s LEU 333 N -1.75 2.47 0.06 3.45 1.43 0.13 -0.71 118.68 123.77 3hf2 s LEU 333 Ca 0.22 -0.92 0.05 0.00 -1.03 0.00 0.00 54.13 52.44 3hf2 s LEU 333 Cb -0.12 -0.36 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 3hf2 s LEU 333 CO 0.13 -0.29 -0.14 -0.72 0.23 0.00 0.00 176.35 175.56 3hf2 s TYR 334 N -2.90 1.23 -0.03 0.29 1.13 -0.38 -0.89 117.35 115.80 3hf2 s TYR 334 Ca 0.12 -0.41 -0.30 0.00 -1.41 0.00 0.00 57.07 55.07 3hf2 s TYR 334 Cb -0.00 -0.71 -0.05 0.00 -1.10 0.00 0.00 41.96 40.10 3hf2 s TYR 334 CO 0.01 0.05 1.41 0.00 -2.51 0.00 0.00 175.55 174.50 3hf2 s ALA 335 N -1.07 3.59 0.32 9.51 0.00 -0.28 -2.07 121.76 131.76 3hf2 s ALA 335 Ca -0.00 0.83 0.11 0.00 0.00 0.00 0.00 51.96 52.90 3hf2 s ALA 335 Cb -0.09 -3.61 0.55 0.00 0.00 0.00 0.00 23.12 19.97 3hf2 s ALA 335 CO 0.02 -0.99 1.73 0.87 0.00 0.00 0.00 175.76 177.38 3hf2 h LYS 336 N 8.05 0.01 -4.10 0.00 1.57 -1.65 0.28 116.57 120.73 3hf2 h LYS 336 Ca -0.37 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.25 3hf2 h LYS 336 Cb 1.17 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.36 3hf2 h LYS 336 CO 0.91 0.49 -0.34 -1.21 -0.57 0.00 0.00 179.45 178.74 3hf2 s GLU 337 N -3.93 1.44 0.18 3.15 0.41 -1.26 -4.74 118.70 113.94 3hf2 s GLU 337 Ca -0.02 -1.46 -0.33 0.00 -0.41 0.00 0.00 54.97 52.74 3hf2 s GLU 337 Cb 0.14 0.38 -0.14 0.00 -1.78 0.00 0.00 34.13 32.73 3hf2 s GLU 337 CO 0.74 -0.55 1.44 -0.25 -0.49 0.00 0.00 175.26 176.15 3hf2 n ASP 338 N -0.44 2.58 -3.79 -0.19 9.92 -1.26 -3.90 116.55 119.47 3hf2 n ASP 338 Ca 0.00 1.12 -0.09 0.00 -0.53 0.00 0.00 54.79 55.29 3hf2 n ASP 338 Cb 0.64 -1.37 -0.03 0.00 -0.64 0.00 0.00 41.12 39.71 3hf2 n ASP 338 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3hf2 s THR 339 N 0.39 0.01 -0.15 -3.53 -1.32 -0.81 -4.90 115.64 105.33 3hf2 s THR 339 Ca 0.75 -0.86 0.01 0.00 -1.21 0.00 0.00 61.69 60.38 3hf2 s THR 339 Cb -0.73 -1.78 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 3hf2 s THR 339 CO 0.45 -0.03 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.96 3hf2 s VAL 340 N -3.90 2.46 -0.15 5.08 1.01 -1.26 -1.09 120.40 122.54 3hf2 s VAL 340 Ca 0.11 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 61.00 3hf2 s VAL 340 Cb -0.03 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3hf2 s VAL 340 CO 0.02 0.53 0.80 -0.22 0.00 0.00 0.00 175.10 176.23 3hf2 s LEU 341 N 0.79 4.19 -1.55 3.92 2.96 -0.15 -4.34 118.68 124.51 3hf2 s LEU 341 Ca -0.06 1.16 0.00 0.00 -0.22 0.00 0.00 54.13 55.01 3hf2 s LEU 341 Cb -0.15 -3.20 0.00 0.00 0.50 0.00 0.00 46.19 43.34 3hf2 s LEU 341 CO -0.00 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 3hf2 n GLY 342 N 3.43 0.57 3.12 7.98 0.00 -1.26 -1.66 105.19 117.36 3hf2 n GLY 342 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3hf2 n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hf2 n GLY 343 N -0.58 0.60 0.00 -0.02 0.00 -1.26 -4.77 105.19 99.15 3hf2 n GLY 343 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3hf2 n GLY 343 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hf2 n GLU 344 N -1.93 0.46 -3.81 1.61 1.02 -0.78 -5.02 120.64 112.19 3hf2 n GLU 344 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 3hf2 n GLU 344 Cb 0.04 -0.83 -0.12 0.00 -0.02 0.00 0.00 31.44 30.51 3hf2 n GLU 344 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3hf2 s TYR 345 N -1.65 3.61 0.27 -0.32 2.02 -0.67 -4.97 117.35 115.64 3hf2 s TYR 345 Ca 0.00 -2.53 -0.29 0.00 -0.37 0.00 0.00 57.07 53.87 3hf2 s TYR 345 Cb 0.00 -3.18 -0.10 0.00 -0.40 0.00 0.00 41.96 38.28 3hf2 s TYR 345 CO 0.00 -0.96 1.37 -1.25 -1.57 0.00 0.00 175.55 173.14 3hf2 s PRO 346 N 1.04 4.31 0.08 -1.71 0.04 -1.26 -0.98 135.00 136.53 3hf2 s PRO 346 Ca 0.09 2.24 0.05 0.00 0.04 0.00 0.00 61.00 63.43 3hf2 s PRO 346 Cb -0.22 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 3hf2 s PRO 346 CO -0.05 -0.31 -0.14 -0.51 0.04 0.00 0.00 177.00 176.03 3hf2 s LEU 347 N -0.89 2.30 0.20 -3.56 1.43 -0.25 -4.94 118.68 112.97 3hf2 s LEU 347 Ca 0.55 -0.65 0.06 0.00 -1.03 0.00 0.00 54.13 53.05 3hf2 s LEU 347 Cb -0.40 -0.52 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 3hf2 s LEU 347 CO 0.46 -0.09 0.18 -1.61 0.23 0.00 0.00 176.35 175.53 3hf2 s GLU 348 N -1.92 2.97 -0.17 1.70 2.02 -1.26 -1.92 118.70 120.13 3hf2 s GLU 348 Ca 0.00 -0.93 -0.42 0.00 0.02 0.00 0.00 54.97 53.65 3hf2 s GLU 348 Cb -0.09 -2.64 -0.20 0.00 0.10 0.00 0.00 34.13 31.30 3hf2 s GLU 348 CO 0.02 0.45 1.22 1.17 0.02 0.00 0.00 175.26 178.15 3hf2 n LYS 349 N -0.76 0.00 -0.04 1.61 4.81 -1.25 -1.05 118.16 121.48 3hf2 n LYS 349 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 3hf2 n LYS 349 Cb 0.56 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.14 3hf2 n LYS 349 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hf2 n GLY 350 N 2.30 1.01 3.77 3.14 0.00 1.00 -4.94 105.19 111.47 3hf2 n GLY 350 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 3hf2 n GLY 350 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hf2 s ASP 351 N -2.73 6.67 0.11 1.61 1.11 -0.22 -4.55 116.67 118.67 3hf2 s ASP 351 Ca 0.00 2.60 -0.07 0.00 0.18 0.00 0.00 52.55 55.26 3hf2 s ASP 351 Cb 0.00 -2.64 -0.06 0.00 1.07 0.00 0.00 42.92 41.29 3hf2 s ASP 351 CO 0.00 -0.60 0.38 -1.61 1.18 0.00 0.00 175.17 174.52 3hf2 s GLU 352 N -1.94 3.67 0.11 8.23 2.02 -1.26 -1.13 118.70 128.40 3hf2 s GLU 352 Ca 0.52 0.02 0.07 0.00 0.02 0.00 0.00 54.97 55.59 3hf2 s GLU 352 Cb -0.37 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 3hf2 s GLU 352 CO 0.49 0.52 -0.17 -0.51 0.02 0.00 0.00 175.26 175.60 3hf2 s LEU 353 N -2.29 2.34 -0.07 1.80 1.43 -0.07 -2.79 118.68 119.03 3hf2 s LEU 353 Ca 0.37 -0.72 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 3hf2 s LEU 353 Cb -0.13 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.38 3hf2 s LEU 353 CO 0.21 -0.03 -0.18 -0.04 0.23 0.00 0.00 176.35 176.54 3hf2 s MET 354 N -2.18 2.26 -0.31 1.70 -1.94 -0.02 -0.69 119.30 118.12 3hf2 s MET 354 Ca 0.06 -0.64 -0.16 0.00 -1.71 0.00 0.00 55.69 53.24 3hf2 s MET 354 Cb -0.08 -1.80 -0.02 0.00 2.01 0.00 0.00 34.83 34.94 3hf2 s MET 354 CO 0.04 0.14 0.40 0.08 -0.01 0.00 0.00 175.02 175.66 3hf2 s VAL 355 N 0.39 5.14 -1.00 -6.03 1.01 0.47 -1.03 120.40 119.36 3hf2 s VAL 355 Ca -0.14 0.33 -0.18 0.00 0.00 0.00 0.00 61.98 62.00 3hf2 s VAL 355 Cb -0.16 -3.79 0.14 0.00 0.00 0.00 0.00 36.38 32.56 3hf2 s VAL 355 CO 0.05 -0.01 1.21 -0.22 0.00 0.00 0.00 175.10 176.13 3hf2 s LEU 356 N 2.11 5.01 0.24 3.92 2.96 -0.59 -2.91 118.68 129.42 3hf2 s LEU 356 Ca 0.14 -2.24 -0.07 0.00 -0.22 0.00 0.00 54.13 51.74 3hf2 s LEU 356 Cb -0.16 -2.40 0.22 0.00 0.50 0.00 0.00 46.19 44.35 3hf2 s LEU 356 CO 0.11 -1.00 1.91 0.40 -1.32 0.00 0.00 176.35 176.45 3hf2 h ILE 357 N 5.60 1.24 -0.18 6.68 2.04 -1.44 -1.06 117.51 130.38 3hf2 h ILE 357 Ca 0.20 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 3hf2 h ILE 357 Cb 0.99 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3hf2 h ILE 357 CO 1.15 0.23 -0.07 -0.65 0.00 0.00 0.00 178.15 178.80 3hf2 h PRO 358 N 1.25 0.27 -0.21 2.37 0.11 -1.88 -1.27 132.00 132.65 3hf2 h PRO 358 Ca 0.34 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.32 3hf2 h PRO 358 Cb -0.15 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 30.92 3hf2 h PRO 358 CO -0.07 0.36 -0.16 1.96 -0.21 0.00 0.00 178.00 179.87 3hf2 h GLN 359 N 0.26 0.47 -0.89 1.05 1.08 -1.53 -2.86 115.11 112.69 3hf2 h GLN 359 Ca 0.06 -0.23 0.18 0.00 -1.45 0.00 0.00 58.65 57.20 3hf2 h GLN 359 Cb 0.30 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 27.62 3hf2 h GLN 359 CO 0.01 0.80 0.46 1.25 -0.95 0.00 0.00 178.83 180.40 3hf2 h LEU 360 N 0.16 0.52 0.00 1.46 5.85 -1.03 0.35 115.31 122.62 3hf2 h LEU 360 Ca 0.04 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3hf2 h LEU 360 Cb 0.69 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3hf2 h LEU 360 CO 0.04 0.17 0.00 1.41 -0.34 0.00 0.00 178.44 179.72 3hf2 n HIS 361 N -4.90 0.00 -0.26 1.25 8.25 -0.50 -1.84 115.22 117.22 3hf2 n HIS 361 Ca 0.20 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.70 3hf2 n HIS 361 Cb 0.53 -0.10 0.11 0.00 1.12 0.00 0.00 29.99 31.65 3hf2 n HIS 361 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3hf2 n ARG 362 N -1.10 2.82 -1.87 -0.41 1.74 0.08 -4.84 116.66 113.08 3hf2 n ARG 362 Ca 0.17 -1.97 -0.42 0.00 -0.77 0.00 0.00 57.85 54.86 3hf2 n ARG 362 Cb 0.13 -1.25 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 3hf2 n ARG 362 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hf2 s ASP 363 N -1.22 5.55 0.57 0.55 -1.08 -0.77 -4.88 116.67 115.39 3hf2 s ASP 363 Ca 0.18 1.27 0.31 0.00 -0.52 0.00 0.00 52.55 53.78 3hf2 s ASP 363 Cb 0.11 -2.52 1.73 0.00 -1.46 0.00 0.00 42.92 40.78 3hf2 s ASP 363 CO 0.09 -1.99 2.19 0.11 0.52 0.00 0.00 175.17 176.09 3hf2 h LYS 364 N 14.38 0.00 0.00 4.34 1.57 -1.91 -0.63 116.57 134.32 3hf2 h LYS 364 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3hf2 h LYS 364 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3hf2 h LYS 364 CO 1.06 0.05 0.00 0.25 -0.57 0.00 0.00 179.45 180.24 3hf2 n THR 365 N -3.64 0.52 -0.12 -0.16 -2.24 -1.26 -1.29 114.28 106.09 3hf2 n THR 365 Ca -0.02 -0.11 -0.23 0.00 -2.27 0.00 0.00 64.05 61.41 3hf2 n THR 365 Cb 0.15 -0.68 -0.09 0.00 -2.10 0.00 0.00 70.33 67.61 3hf2 n THR 365 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3hf2 n ILE 366 N -2.05 1.30 0.83 2.28 2.08 -0.71 -4.73 119.36 118.37 3hf2 n ILE 366 Ca 0.05 -0.38 0.11 0.00 0.56 0.00 0.00 62.75 63.10 3hf2 n ILE 366 Cb 0.36 -1.68 0.08 0.00 -0.75 0.00 0.00 39.64 37.66 3hf2 n ILE 366 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 3hf2 n TRP 367 N -3.81 0.11 -0.31 1.39 7.02 -0.32 -5.04 117.44 116.47 3hf2 n TRP 367 Ca -0.45 0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.06 3hf2 n TRP 367 Cb 0.86 -0.27 0.00 0.00 -2.42 0.00 0.00 31.31 29.48 3hf2 n TRP 367 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hf2 n GLY 368 N 1.45 -2.82 0.17 6.99 0.00 -0.41 -4.71 105.19 105.85 3hf2 n GLY 368 Ca 0.04 -1.71 -0.04 0.00 0.00 0.00 0.00 46.02 44.31 3hf2 n GLY 368 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hf2 h ASP 369 N 0.00 0.23 0.00 1.61 5.19 -1.96 -3.35 116.42 118.14 3hf2 h ASP 369 Ca 0.00 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 3hf2 h ASP 369 Cb 0.00 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.44 3hf2 h ASP 369 CO 0.00 0.77 0.00 -0.90 -3.12 0.00 0.00 179.24 175.99 3hf2 n ASP 370 N -3.88 4.01 0.29 6.45 5.75 -1.26 -4.57 116.55 123.34 3hf2 n ASP 370 Ca -0.02 -2.10 0.14 0.00 -0.01 0.00 0.00 54.79 52.80 3hf2 n ASP 370 Cb 0.60 -0.80 0.86 0.00 -1.03 0.00 0.00 41.12 40.75 3hf2 n ASP 370 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 3hf2 h VAL 371 N 0.66 0.52 0.00 2.12 -1.51 -1.89 -0.38 116.25 115.77 3hf2 h VAL 371 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 3hf2 h VAL 371 Cb 0.92 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 3hf2 h VAL 371 CO 0.00 0.05 0.00 -0.33 -1.23 0.00 0.00 177.57 176.06 3hf2 h GLU 372 N 0.00 0.00 -6.92 5.19 4.39 -1.95 -3.46 114.58 111.82 3hf2 h GLU 372 Ca -0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 3hf2 h GLU 372 Cb 0.13 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3hf2 h GLU 372 CO 0.01 0.00 0.44 -1.21 -1.16 0.00 0.00 179.01 177.09 3hf2 s GLU 373 N -3.16 4.25 -0.59 2.33 0.41 -0.16 -4.99 118.70 116.79 3hf2 s GLU 373 Ca 0.09 1.64 -0.24 0.00 -0.41 0.00 0.00 54.97 56.04 3hf2 s GLU 373 Cb 0.09 -2.71 0.05 0.00 -1.78 0.00 0.00 34.13 29.77 3hf2 s GLU 373 CO 0.63 -0.10 0.99 0.12 -0.49 0.00 0.00 175.26 176.42 3hf2 s PHE 374 N -1.50 2.71 -0.41 1.61 5.36 -1.26 -4.99 117.98 119.50 3hf2 s PHE 374 Ca 0.55 -0.09 0.02 0.00 -0.96 0.00 0.00 56.93 56.44 3hf2 s PHE 374 Cb -0.26 -4.20 0.14 0.00 -0.34 0.00 0.00 43.02 38.36 3hf2 s PHE 374 CO 0.33 -1.49 0.24 1.03 -1.46 0.00 0.00 175.22 173.86 3hf2 s ARG 375 N 4.20 1.04 0.60 10.12 0.52 -1.26 -4.99 118.95 129.18 3hf2 s ARG 375 Ca 0.30 -1.80 0.29 0.00 -0.52 0.00 0.00 55.73 54.00 3hf2 s ARG 375 Cb -0.13 -1.97 1.55 0.00 0.52 0.00 0.00 34.95 34.92 3hf2 s ARG 375 CO 0.17 -1.19 1.95 -1.35 0.02 0.00 0.00 175.30 174.90 3hf2 h PRO 376 N 6.76 0.00 0.00 3.54 0.11 -1.93 -1.66 132.00 138.82 3hf2 h PRO 376 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3hf2 h PRO 376 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3hf2 h PRO 376 CO 0.41 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.59 3hf2 n GLU 377 N -3.59 0.09 0.29 1.05 4.71 -1.26 -1.21 120.64 120.71 3hf2 n GLU 377 Ca 0.05 0.53 0.15 0.00 -0.01 0.00 0.00 57.16 57.88 3hf2 n GLU 377 Cb 0.54 -1.76 0.90 0.00 -1.01 0.00 0.00 31.44 30.12 3hf2 n GLU 377 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hf2 h ARG 378 N 0.00 0.00 -0.50 3.49 3.08 -1.69 -2.60 114.38 116.16 3hf2 h ARG 378 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hf2 h ARG 378 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3hf2 h ARG 378 CO 0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 3hf2 n PHE 379 N -3.87 1.56 -0.27 3.04 3.72 -0.35 -4.58 117.46 116.70 3hf2 n PHE 379 Ca -0.03 -0.73 -0.00 0.00 -0.05 0.00 0.00 57.45 56.64 3hf2 n PHE 379 Cb 0.09 -0.37 0.07 0.00 -0.94 0.00 0.00 39.48 38.33 3hf2 n PHE 379 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3hf2 h GLU 380 N 3.33 -0.04 -4.05 -1.08 4.57 -1.60 -3.26 114.58 112.46 3hf2 h GLU 380 Ca 0.00 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.56 3hf2 h GLU 380 Cb 1.65 0.01 -0.40 0.00 -0.16 0.00 0.00 28.75 29.85 3hf2 h GLU 380 CO 0.33 -0.03 -0.74 1.21 -1.18 0.00 0.00 179.01 178.61 3hf2 s ASN 381 N -5.24 4.36 0.63 1.04 3.84 -1.26 -5.00 114.94 113.30 3hf2 s ASN 381 Ca -0.14 -1.94 0.37 0.00 0.21 0.00 0.00 52.86 51.36 3hf2 s ASN 381 Cb 0.21 -1.23 2.11 0.00 -0.55 0.00 0.00 41.25 41.78 3hf2 s ASN 381 CO 0.73 -0.39 2.31 -0.65 -2.79 0.00 0.00 177.10 176.31 3hf2 h PRO 382 N 7.79 0.00 0.00 0.43 0.11 -1.87 -1.24 132.00 137.21 3hf2 h PRO 382 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3hf2 h PRO 382 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3hf2 h PRO 382 CO 0.50 0.00 -0.09 -1.13 -0.21 0.00 0.00 178.00 177.08 3hf2 n SER 383 N -3.45 0.23 0.29 -2.05 3.41 -1.26 -2.64 113.62 108.15 3hf2 n SER 383 Ca -0.03 0.41 0.19 0.00 -0.26 0.00 0.00 58.87 59.17 3hf2 n SER 383 Cb 0.09 -0.43 0.83 0.00 -0.26 0.00 0.00 64.21 64.43 3hf2 n SER 383 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hf2 h ALA 384 N 2.90 1.00 -2.45 7.33 0.00 -1.62 -3.44 119.26 122.98 3hf2 h ALA 384 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3hf2 h ALA 384 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hf2 h ALA 384 CO 0.00 0.00 0.52 0.42 0.00 0.00 0.00 179.25 180.19 3hf2 s ILE 385 N -3.79 4.27 0.68 0.00 -1.09 -1.08 -4.99 121.20 115.19 3hf2 s ILE 385 Ca -0.00 1.62 -0.17 0.00 -2.23 0.00 0.00 60.65 59.87 3hf2 s ILE 385 Cb 0.10 -4.04 0.01 0.00 -1.58 0.00 0.00 42.46 36.95 3hf2 s ILE 385 CO 0.50 0.12 1.23 -2.84 -1.23 0.00 0.00 174.94 172.72 3hf2 s PRO 386 N 1.12 2.44 0.21 2.79 0.02 -1.26 -4.90 135.00 135.42 3hf2 s PRO 386 Ca 0.57 1.85 -0.32 0.00 0.02 0.00 0.00 61.00 63.12 3hf2 s PRO 386 Cb -0.27 -1.86 -0.13 0.00 0.02 0.00 0.00 34.50 32.26 3hf2 s PRO 386 CO 0.28 -1.63 1.60 0.94 -0.33 0.00 0.00 177.00 177.87 3hf2 n GLN 387 N -2.24 2.43 -1.20 5.54 7.27 -1.26 -2.04 117.38 125.88 3hf2 n GLN 387 Ca 0.14 0.87 -0.07 0.00 0.07 0.00 0.00 57.00 58.02 3hf2 n GLN 387 Cb 0.49 -2.65 -0.03 0.00 2.41 0.00 0.00 30.24 30.46 3hf2 n GLN 387 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3hf2 n HIS 388 N 3.15 0.00 0.01 3.69 8.25 -1.26 -4.89 115.22 124.17 3hf2 n HIS 388 Ca 0.14 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.58 3hf2 n HIS 388 Cb 0.32 -1.62 -0.10 0.00 1.12 0.00 0.00 29.99 29.72 3hf2 n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hf2 n ALA 389 N 1.13 1.85 -3.86 -1.41 0.00 -0.86 -4.69 120.51 112.65 3hf2 n ALA 389 Ca -0.07 -0.64 -0.29 0.00 0.00 0.00 0.00 53.44 52.44 3hf2 n ALA 389 Cb 0.30 -0.87 -0.16 0.00 0.00 0.00 0.00 19.45 18.71 3hf2 n ALA 389 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3hf2 s PHE 390 N -2.85 1.79 -0.30 0.00 5.36 -1.26 -4.50 117.98 116.21 3hf2 s PHE 390 Ca -0.04 -1.30 0.19 0.00 -0.96 0.00 0.00 56.93 54.83 3hf2 s PHE 390 Cb 0.09 -1.34 0.47 0.00 -0.34 0.00 0.00 43.02 41.90 3hf2 s PHE 390 CO 0.82 -0.68 1.01 1.63 -1.46 0.00 0.00 175.22 176.54 3hf2 n LYS 391 N 4.84 1.32 0.03 10.12 5.02 -1.26 -4.87 118.16 133.36 3hf2 n LYS 391 Ca -0.11 -3.29 0.07 0.00 -2.02 0.00 0.00 58.31 52.96 3hf2 n LYS 391 Cb 0.46 -1.32 0.31 0.00 -0.02 0.00 0.00 35.03 34.46 3hf2 n LYS 391 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3hf2 n PRO 392 N -0.24 0.04 -0.37 1.97 -0.04 -1.26 -2.14 135.00 132.96 3hf2 n PRO 392 Ca 0.08 0.33 0.09 0.00 -0.04 0.00 0.00 63.50 63.96 3hf2 n PRO 392 Cb 0.82 -1.58 0.24 0.00 -0.04 0.00 0.00 33.50 32.93 3hf2 n PRO 392 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hf2 n PHE 393 N -1.66 0.76 -4.23 0.54 3.72 -1.26 -4.74 117.46 110.59 3hf2 n PHE 393 Ca 0.03 -0.89 0.00 0.00 -0.05 0.00 0.00 57.45 56.53 3hf2 n PHE 393 Cb 0.15 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 3hf2 n PHE 393 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hf2 n GLY 394 N -0.66 -0.35 2.89 1.37 0.00 -0.91 -1.13 105.19 106.40 3hf2 n GLY 394 Ca 0.20 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 3hf2 n GLY 394 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hf2 s ASN 395 N -4.00 -0.04 0.86 1.61 3.84 -1.26 -4.82 114.94 111.13 3hf2 s ASN 395 Ca 0.00 0.15 0.00 0.00 0.21 0.00 0.00 52.86 53.22 3hf2 s ASN 395 Cb 0.00 0.09 0.00 0.00 -0.55 0.00 0.00 41.25 40.79 3hf2 s ASN 395 CO 0.00 -0.08 0.00 0.61 -2.79 0.00 0.00 177.10 174.84 3hf2 n GLY 396 N 3.62 2.31 0.27 1.21 0.00 -1.26 -1.88 105.19 109.47 3hf2 n GLY 396 Ca -0.20 -0.48 0.17 0.00 0.00 0.00 0.00 46.02 45.51 3hf2 n GLY 396 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3hf2 h GLN 397 N 0.00 0.00 -0.63 1.61 3.07 -1.99 -1.80 115.11 115.36 3hf2 h GLN 397 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3hf2 h GLN 397 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3hf2 h GLN 397 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.83 179.46 3hf2 n ARG 398 N -3.00 3.22 -1.46 0.06 5.12 -0.90 -4.96 116.66 114.74 3hf2 n ARG 398 Ca 0.00 -2.24 -0.29 0.00 -1.93 0.00 0.00 57.85 53.39 3hf2 n ARG 398 Cb 0.27 -1.79 0.14 0.00 -1.16 0.00 0.00 32.46 29.92 3hf2 n ARG 398 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hf2 s ALA 399 N -1.84 1.68 -0.21 7.54 0.00 -0.68 -4.41 121.76 123.84 3hf2 s ALA 399 Ca 0.40 -0.44 -0.29 0.00 0.00 0.00 0.00 51.96 51.63 3hf2 s ALA 399 Cb 0.26 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 3hf2 s ALA 399 CO 0.18 -2.32 1.70 0.00 0.00 0.00 0.00 175.76 175.33 3hf2 h PRO 401 N 11.19 0.00 -0.35 0.00 0.13 -1.92 -3.09 132.00 137.95 3hf2 h PRO 401 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3hf2 h PRO 401 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3hf2 h PRO 401 CO 1.00 0.04 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 3hf2 n GLY 402 N 0.39 0.62 0.32 1.56 0.00 -1.26 -4.60 105.19 102.22 3hf2 n GLY 402 Ca 0.02 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 3hf2 n GLY 402 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3hf2 h GLN 403 N 1.97 -0.38 -0.35 1.61 4.15 -1.89 -0.51 115.11 119.72 3hf2 h GLN 403 Ca 0.00 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 3hf2 h GLN 403 Cb 0.47 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 3hf2 h GLN 403 CO 0.01 -0.25 0.05 1.96 -1.93 0.00 0.00 178.83 178.66 3hf2 h GLN 404 N -0.39 0.52 -0.02 1.69 7.50 -1.82 -1.37 115.11 121.21 3hf2 h GLN 404 Ca 0.09 -0.09 -0.00 0.00 0.50 0.00 0.00 58.65 59.14 3hf2 h GLN 404 Cb 0.53 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 27.97 3hf2 h GLN 404 CO -0.33 0.51 0.01 0.35 -1.50 0.00 0.00 178.83 177.88 3hf2 h PHE 405 N 0.51 0.04 -0.32 2.96 3.04 -1.72 0.17 116.94 121.61 3hf2 h PHE 405 Ca 0.12 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.03 3hf2 h PHE 405 Cb 0.26 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 3hf2 h PHE 405 CO 0.01 0.19 0.08 0.00 -2.02 0.00 0.00 178.31 176.58 3hf2 h ALA 406 N 0.84 0.42 -0.19 2.41 0.00 -0.93 -0.44 119.26 121.37 3hf2 h ALA 406 Ca 0.01 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 3hf2 h ALA 406 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hf2 h ALA 406 CO -0.00 0.08 -0.42 -0.07 0.00 0.00 0.00 179.25 178.84 3hf2 h LEU 407 N 0.36 0.48 -0.19 0.00 3.38 -1.20 -0.15 115.31 117.99 3hf2 h LEU 407 Ca 0.10 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3hf2 h LEU 407 Cb 0.28 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3hf2 h LEU 407 CO -0.00 0.84 -0.00 -0.74 0.09 0.00 0.00 178.44 178.63 3hf2 h HIS 408 N 0.37 0.38 -0.26 1.13 2.76 -0.51 -0.58 115.15 118.43 3hf2 h HIS 408 Ca 0.03 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 3hf2 h HIS 408 Cb 0.89 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 3hf2 h HIS 408 CO 0.03 0.54 0.17 1.49 -1.30 0.00 0.00 177.93 178.86 3hf2 h GLU 409 N 0.10 0.35 -0.59 5.26 4.81 -0.93 -1.95 114.58 121.63 3hf2 h GLU 409 Ca 0.05 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 3hf2 h GLU 409 Cb 0.40 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3hf2 h GLU 409 CO 0.01 0.24 0.11 0.00 -0.73 0.00 0.00 179.01 178.64 3hf2 h ALA 410 N 1.09 0.79 -0.35 2.92 0.00 -0.99 -1.60 119.26 121.12 3hf2 h ALA 410 Ca 0.10 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3hf2 h ALA 410 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3hf2 h ALA 410 CO -0.02 0.53 0.00 1.15 0.00 0.00 0.00 179.25 180.91 3hf2 h THR 411 N 0.88 1.26 -0.11 0.00 2.02 -1.03 -0.65 112.91 115.27 3hf2 h THR 411 Ca 0.18 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 3hf2 h THR 411 Cb 0.41 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3hf2 h THR 411 CO 0.01 0.32 0.07 0.25 0.37 0.00 0.00 175.52 176.54 3hf2 h LEU 412 N 0.42 0.14 -0.14 2.58 5.85 -1.26 0.16 115.31 123.06 3hf2 h LEU 412 Ca 0.10 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3hf2 h LEU 412 Cb 0.45 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 3hf2 h LEU 412 CO 0.02 0.14 -0.07 0.58 -0.34 0.00 0.00 178.44 178.76 3hf2 h VAL 413 N 0.12 1.32 -0.48 1.05 2.07 -1.22 0.21 116.25 119.31 3hf2 h VAL 413 Ca 0.04 -1.12 -0.08 0.00 0.82 0.00 0.00 66.70 66.36 3hf2 h VAL 413 Cb 0.03 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3hf2 h VAL 413 CO -0.01 0.33 -0.03 0.25 0.02 0.00 0.00 177.57 178.12 3hf2 h LEU 414 N -0.05 0.79 0.11 2.57 5.85 -1.12 0.25 115.31 123.71 3hf2 h LEU 414 Ca 0.03 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3hf2 h LEU 414 Cb 0.54 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 3hf2 h LEU 414 CO 0.02 0.88 -0.07 1.23 -0.34 0.00 0.00 178.44 180.16 3hf2 h GLY 415 N 0.98 -0.18 0.79 3.75 0.00 -0.50 -1.78 103.07 106.13 3hf2 h GLY 415 Ca 0.14 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.59 3hf2 h GLY 415 CO 0.03 -0.07 0.40 -0.33 0.00 0.00 0.00 176.54 176.56 3hf2 h MET 416 N -0.18 0.74 -0.75 4.80 2.86 -0.38 -0.58 114.93 121.45 3hf2 h MET 416 Ca -0.01 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3hf2 h MET 416 Cb 0.15 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.59 3hf2 h MET 416 CO 0.01 0.49 0.46 0.52 1.06 0.00 0.00 176.91 179.45 3hf2 h MET 417 N 0.76 0.84 0.00 1.72 2.07 -0.29 -1.34 114.93 118.68 3hf2 h MET 417 Ca 0.28 -0.05 -0.16 0.00 -2.07 0.00 0.00 59.70 57.71 3hf2 h MET 417 Cb 0.09 -0.19 -0.02 0.00 -1.87 0.00 0.00 31.60 29.61 3hf2 h MET 417 CO -0.14 0.55 -0.76 -0.07 1.07 0.00 0.00 176.91 177.57 3hf2 h LEU 418 N 0.86 0.00 -0.51 1.22 3.38 -1.02 -2.15 115.31 117.10 3hf2 h LEU 418 Ca 0.32 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.19 3hf2 h LEU 418 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3hf2 h LEU 418 CO -0.15 0.76 -0.05 0.50 0.09 0.00 0.00 178.44 179.58 3hf2 h LYS 419 N 0.00 0.93 0.00 1.13 3.64 -0.73 -3.37 116.57 118.17 3hf2 h LYS 419 Ca -0.01 -0.32 -0.11 0.00 -1.27 0.00 0.00 60.65 58.94 3hf2 h LYS 419 Cb 1.37 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 3hf2 h LYS 419 CO 0.10 0.98 -1.84 0.72 -2.27 0.00 0.00 179.45 177.14 3hf2 n HIS 420 N -4.25 0.31 -4.11 1.91 8.25 -0.54 -4.85 115.22 111.93 3hf2 n HIS 420 Ca 0.01 0.10 -0.12 0.00 -0.26 0.00 0.00 57.72 57.45 3hf2 n HIS 420 Cb 0.36 -0.77 -0.11 0.00 1.12 0.00 0.00 29.99 30.59 3hf2 n HIS 420 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hf2 s PHE 421 N -3.18 0.77 0.18 4.41 0.08 -0.82 -0.26 117.98 119.15 3hf2 s PHE 421 Ca -0.06 -0.72 -0.08 0.00 0.12 0.00 0.00 56.93 56.19 3hf2 s PHE 421 Cb 0.11 -0.45 -0.06 0.00 -0.57 0.00 0.00 43.02 42.04 3hf2 s PHE 421 CO 0.86 -0.13 0.46 -0.51 -0.10 0.00 0.00 175.22 175.80 3hf2 s ASP 422 N -2.33 6.58 0.01 1.36 1.01 -0.41 -4.58 116.67 118.31 3hf2 s ASP 422 Ca 0.01 0.77 0.08 0.00 0.71 0.00 0.00 52.55 54.12 3hf2 s ASP 422 Cb -0.02 -2.17 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 3hf2 s ASP 422 CO -0.02 0.01 -0.24 -0.36 0.21 0.00 0.00 175.17 174.77 3hf2 s PHE 423 N -1.70 2.40 -0.12 4.23 0.08 -1.26 -0.64 117.98 120.97 3hf2 s PHE 423 Ca 0.43 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 57.12 3hf2 s PHE 423 Cb -0.12 -1.46 0.02 0.00 -0.57 0.00 0.00 43.02 40.89 3hf2 s PHE 423 CO 0.22 0.10 -0.13 -2.00 -0.10 0.00 0.00 175.22 173.32 3hf2 s GLU 424 N -1.02 2.03 -1.21 0.44 2.12 0.57 -4.98 118.70 116.65 3hf2 s GLU 424 Ca 0.12 -0.47 -0.18 0.00 0.36 0.00 0.00 54.97 54.79 3hf2 s GLU 424 Cb -0.10 -1.86 -0.02 0.00 0.26 0.00 0.00 34.13 32.41 3hf2 s GLU 424 CO 0.01 -0.17 1.98 -3.47 -0.54 0.00 0.00 175.26 173.07 3hf2 n ASP 425 N 4.58 3.70 0.16 -1.70 2.03 -1.26 -1.45 116.55 122.61 3hf2 n ASP 425 Ca -0.17 -2.80 0.02 0.00 0.52 0.00 0.00 54.79 52.36 3hf2 n ASP 425 Cb 0.50 -1.57 0.26 0.00 -0.72 0.00 0.00 41.12 39.60 3hf2 n ASP 425 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 3hf2 h HIS 426 N 7.47 0.00 -0.14 -0.67 2.07 -1.93 -2.48 115.15 119.47 3hf2 h HIS 426 Ca 0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.97 3hf2 h HIS 426 Cb 0.76 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.74 3hf2 h HIS 426 CO 1.36 0.49 0.00 0.25 -3.07 0.00 0.00 177.93 176.96 3hf2 n THR 427 N -3.74 0.17 -3.71 6.12 -2.24 -1.26 -4.98 114.28 104.64 3hf2 n THR 427 Ca -0.01 -0.42 -0.32 0.00 -2.27 0.00 0.00 64.05 61.03 3hf2 n THR 427 Cb 0.54 0.72 0.04 0.00 -2.10 0.00 0.00 70.33 69.53 3hf2 n THR 427 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hf2 n ASN 428 N 0.68 -5.00 -4.65 3.42 5.15 -0.93 -4.81 115.26 109.12 3hf2 n ASN 428 Ca 0.17 -1.03 -0.44 0.00 -0.60 0.00 0.00 54.58 52.69 3hf2 n ASN 428 Cb 0.44 -3.31 -0.02 0.00 -0.53 0.00 0.00 39.78 36.36 3hf2 n ASN 428 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hf2 n TYR 429 N -4.23 1.88 -3.61 1.20 9.36 -1.26 -4.96 117.16 115.54 3hf2 n TYR 429 Ca -0.11 0.58 -0.40 0.00 3.32 0.00 0.00 57.90 61.30 3hf2 n TYR 429 Cb 0.59 -2.36 -0.11 0.00 -0.63 0.00 0.00 39.34 36.83 3hf2 n TYR 429 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 3hf2 s GLU 430 N -1.36 3.11 0.03 2.98 2.56 -1.26 -5.04 118.70 119.72 3hf2 s GLU 430 Ca 0.60 -0.88 -0.34 0.00 0.00 0.00 0.00 54.97 54.35 3hf2 s GLU 430 Cb -0.65 -3.68 -0.12 0.00 2.00 0.00 0.00 34.13 31.68 3hf2 s GLU 430 CO 0.58 -0.56 1.76 -0.11 -0.56 0.00 0.00 175.26 176.37 3hf2 n LEU 431 N 5.01 3.39 -3.80 2.70 7.94 -1.26 -4.96 117.00 126.01 3hf2 n LEU 431 Ca -0.13 1.01 -0.27 0.00 -1.11 0.00 0.00 56.01 55.52 3hf2 n LEU 431 Cb 0.48 -1.41 -0.17 0.00 0.53 0.00 0.00 43.42 42.85 3hf2 n LEU 431 CO 0.36 -0.12 -0.39 -0.62 -1.11 0.00 0.00 177.39 175.51 3hf2 s ASP 432 N 2.73 2.70 -0.37 1.96 2.15 -1.26 -5.09 116.67 119.49 3hf2 s ASP 432 Ca 0.86 -0.66 -0.15 0.00 0.43 0.00 0.00 52.55 53.03 3hf2 s ASP 432 Cb -0.66 -0.70 -0.00 0.00 -0.30 0.00 0.00 42.92 41.26 3hf2 s ASP 432 CO 0.45 -0.24 0.34 -0.63 -0.17 0.00 0.00 175.17 174.92 3hf2 s ILE 433 N 1.78 5.19 0.19 4.11 1.01 -1.26 -1.03 121.20 131.19 3hf2 s ILE 433 Ca 0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.25 3hf2 s ILE 433 Cb -0.16 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.37 3hf2 s ILE 433 CO -0.07 -0.17 0.75 -0.75 0.00 0.00 0.00 174.94 174.69 3hf2 s LYS 434 N 1.94 4.40 -0.13 2.79 2.20 0.01 -4.90 119.74 126.03 3hf2 s LYS 434 Ca 0.10 1.01 0.02 0.00 -0.36 0.00 0.00 55.97 56.73 3hf2 s LYS 434 Cb -0.17 -3.06 -0.00 0.00 -1.51 0.00 0.00 37.83 33.09 3hf2 s LYS 434 CO 0.12 0.48 -0.19 -1.21 -0.36 0.00 0.00 175.35 174.19 3hf2 s GLU 435 N -1.57 3.16 0.00 4.03 2.02 -1.26 -2.39 118.70 122.69 3hf2 s GLU 435 Ca 0.39 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.59 3hf2 s GLU 435 Cb -0.20 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.53 3hf2 s GLU 435 CO 0.23 0.08 0.00 0.25 0.02 0.00 0.00 175.26 175.84 3hf2 n THR 436 N 3.84 0.00 1.48 3.63 -2.24 -1.26 -4.90 114.28 114.83 3hf2 n THR 436 Ca -0.19 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.73 3hf2 n THR 436 Cb 0.52 0.00 0.59 0.00 -2.10 0.00 0.00 70.33 69.34 3hf2 n THR 436 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hf2 n LEU 437 N 0.00 0.82 -4.45 3.22 -0.00 -1.26 -4.89 117.00 110.43 3hf2 n LEU 437 Ca 0.00 -0.20 -0.23 0.00 -0.00 0.00 0.00 56.01 55.58 3hf2 n LEU 437 Cb 0.00 -0.09 -0.09 0.00 -0.00 0.00 0.00 43.42 43.24 3hf2 n LEU 437 CO 0.00 0.14 -0.21 0.42 -0.00 0.00 0.00 177.39 177.74 3hf2 s THR 438 N -2.28 0.68 -0.01 1.47 -4.23 -1.26 -4.62 115.64 105.39 3hf2 s THR 438 Ca 0.33 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.90 3hf2 s THR 438 Cb 0.20 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.52 3hf2 s THR 438 CO 0.43 0.00 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.56 3hf2 s LEU 439 N -3.52 2.49 -0.03 4.79 1.43 -0.88 -4.31 118.68 118.65 3hf2 s LEU 439 Ca 0.30 -0.35 -0.19 0.00 -1.03 0.00 0.00 54.13 52.86 3hf2 s LEU 439 Cb 0.05 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.83 3hf2 s LEU 439 CO 0.15 0.31 0.40 -1.59 0.23 0.00 0.00 176.35 175.86 3hf2 s LYS 440 N -0.90 0.75 -0.97 1.70 -2.85 -1.01 -4.55 119.74 111.91 3hf2 s LYS 440 Ca 0.12 -0.04 -0.24 0.00 -1.00 0.00 0.00 55.97 54.81 3hf2 s LYS 440 Cb -0.10 0.34 0.04 0.00 -2.06 0.00 0.00 37.83 36.05 3hf2 s LYS 440 CO 0.01 -0.21 1.44 -1.25 0.10 0.00 0.00 175.35 175.44 3hf2 s PRO 441 N -1.20 3.50 0.31 1.78 0.04 -1.26 -0.81 135.00 137.35 3hf2 s PRO 441 Ca -0.12 -0.96 -0.30 0.00 0.04 0.00 0.00 61.00 59.66 3hf2 s PRO 441 Cb -0.04 -5.17 -0.11 0.00 0.04 0.00 0.00 34.50 29.21 3hf2 s PRO 441 CO 0.05 -2.23 1.59 -1.91 0.04 0.00 0.00 177.00 174.54 3hf2 n GLU 442 N 8.96 2.73 -0.98 4.56 2.13 -0.20 -2.93 120.64 134.90 3hf2 n GLU 442 Ca 0.29 0.97 0.00 0.00 0.66 0.00 0.00 57.16 59.08 3hf2 n GLU 442 Cb 0.51 -2.75 0.00 0.00 0.27 0.00 0.00 31.44 29.46 3hf2 n GLU 442 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hf2 n GLY 443 N 1.93 0.57 3.65 8.31 0.00 -1.26 -4.47 105.19 113.93 3hf2 n GLY 443 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3hf2 n GLY 443 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hf2 s PHE 444 N -2.39 2.32 0.07 1.61 5.36 -1.15 -4.98 117.98 118.82 3hf2 s PHE 444 Ca 0.00 0.56 0.05 0.00 -0.96 0.00 0.00 56.93 56.58 3hf2 s PHE 444 Cb 0.00 -3.78 -0.03 0.00 -0.34 0.00 0.00 43.02 38.87 3hf2 s PHE 444 CO 0.00 -2.88 -0.14 0.14 -1.46 0.00 0.00 175.22 170.88 3hf2 s VAL 445 N 4.06 1.10 0.14 3.12 -7.23 -1.26 -1.64 120.40 118.69 3hf2 s VAL 445 Ca 0.66 -1.30 -0.02 0.00 -1.81 0.00 0.00 61.98 59.51 3hf2 s VAL 445 Cb -0.27 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.57 3hf2 s VAL 445 CO 0.24 -0.23 0.10 0.68 -0.31 0.00 0.00 175.10 175.58 3hf2 s VAL 446 N -1.27 0.08 0.02 1.32 -7.23 -0.71 -4.63 120.40 107.99 3hf2 s VAL 446 Ca -0.02 -1.85 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 3hf2 s VAL 446 Cb -0.10 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 3hf2 s VAL 446 CO 0.02 -0.38 -0.01 -0.54 -0.31 0.00 0.00 175.10 173.89 3hf2 s LYS 447 N -4.05 2.71 -0.13 4.82 1.02 -0.53 -0.28 119.74 123.30 3hf2 s LYS 447 Ca 0.25 -0.67 -0.01 0.00 0.02 0.00 0.00 55.97 55.56 3hf2 s LYS 447 Cb 0.07 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.74 3hf2 s LYS 447 CO 0.03 0.60 -0.11 0.00 -0.92 0.00 0.00 175.35 174.95 3hf2 s ALA 448 N -1.13 2.71 -0.33 5.17 0.00 -1.26 -0.31 121.76 126.61 3hf2 s ALA 448 Ca 0.21 -0.88 -0.08 0.00 0.00 0.00 0.00 51.96 51.21 3hf2 s ALA 448 Cb -0.12 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.75 3hf2 s ALA 448 CO 0.12 0.27 0.13 0.21 0.00 0.00 0.00 175.76 176.49 3hf2 s LYS 449 N 0.26 2.95 0.22 0.00 2.20 0.19 -4.95 119.74 120.60 3hf2 s LYS 449 Ca -0.08 -0.97 -0.32 0.00 -0.36 0.00 0.00 55.97 54.24 3hf2 s LYS 449 Cb -0.15 -3.53 -0.14 0.00 -1.51 0.00 0.00 37.83 32.50 3hf2 s LYS 449 CO 0.05 -0.56 1.34 0.45 -0.36 0.00 0.00 175.35 176.27 3hf2 n SER 450 N 4.91 2.35 -0.15 1.43 2.88 -1.26 -1.28 113.62 122.49 3hf2 n SER 450 Ca -0.13 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.69 3hf2 n SER 450 Cb 0.47 -1.36 0.66 0.00 -0.75 0.00 0.00 64.21 63.22 3hf2 n SER 450 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3hf2 n LYS 451 N 2.01 0.89 -3.25 -1.46 5.02 0.64 -4.87 118.16 117.13 3hf2 n LYS 451 Ca 0.13 -0.30 -0.16 0.00 -2.02 0.00 0.00 58.31 55.95 3hf2 n LYS 451 Cb 0.29 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.87 3hf2 n LYS 451 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hf2 n LYS 452 N -0.79 -5.77 -4.07 1.97 4.76 -1.26 -5.00 118.16 108.00 3hf2 n LYS 452 Ca 0.17 0.65 -0.35 0.00 -2.87 0.00 0.00 58.31 55.91 3hf2 n LYS 452 Cb 0.26 -5.11 -0.11 0.00 -1.84 0.00 0.00 35.03 28.23 3hf2 n LYS 452 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3hf2 s ILE 453 N -3.26 4.35 0.70 -0.18 1.01 -1.26 -5.09 121.20 117.48 3hf2 s ILE 453 Ca 0.28 -0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 3hf2 s ILE 453 Cb -0.12 -2.97 0.01 0.00 0.01 0.00 0.00 42.46 39.39 3hf2 s ILE 453 CO 0.56 0.44 1.06 -2.16 0.00 0.00 0.00 174.94 174.84 3hf2 s PRO 454 N 0.72 2.87 0.00 2.79 0.04 -1.26 -5.02 135.00 135.14 3hf2 s PRO 454 Ca 0.02 0.92 0.27 0.00 0.04 0.00 0.00 61.00 62.25 3hf2 s PRO 454 Cb -0.14 -1.99 0.78 0.00 0.04 0.00 0.00 34.50 33.20 3hf2 s PRO 454 CO 0.02 -1.14 1.60 1.28 0.04 0.00 0.00 177.00 178.80