#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 0.47 -3.67 2.12 -0.02 -1.26 -4.68 135.00 127.96 3hf2 n PRO 6 Ca 0.00 0.19 -0.09 0.00 -2.02 0.00 0.00 63.50 61.58 3hf2 n PRO 6 Cb 0.00 -1.71 -0.09 0.00 -0.02 0.00 0.00 33.50 31.68 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 -2.18 0.58 1.14 -0.52 0.74 -1.26 -0.93 119.66 117.23 3hf2 s GLN 7 Ca 0.68 1.00 -0.18 0.00 0.05 0.00 0.00 55.36 56.91 3hf2 s GLN 7 Cb -0.43 0.11 0.26 0.00 1.10 0.00 0.00 33.01 34.05 3hf2 s GLN 7 CO 0.55 -0.14 1.13 -1.25 -0.55 0.00 0.00 175.29 175.03 3hf2 s PRO 8 N 1.34 -0.72 0.32 1.67 0.04 -1.26 -4.94 135.00 131.44 3hf2 s PRO 8 Ca -0.08 -0.01 -0.27 0.00 0.04 0.00 0.00 61.00 60.68 3hf2 s PRO 8 Cb -0.06 -1.65 -0.14 0.00 0.04 0.00 0.00 34.50 32.69 3hf2 s PRO 8 CO -0.14 -3.39 0.88 0.36 0.04 0.00 0.00 177.00 174.75 3hf2 n LYS 9 N -4.54 1.08 -4.00 4.56 2.85 -1.26 -4.97 118.16 111.89 3hf2 n LYS 9 Ca 0.12 0.38 -0.22 0.00 -1.05 0.00 0.00 58.31 57.55 3hf2 n LYS 9 Cb 0.59 -1.73 -0.04 0.00 -0.65 0.00 0.00 35.03 33.20 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 -1.15 3.86 -0.45 0.58 -4.23 -1.26 -4.63 115.64 108.35 3hf2 s THR 10 Ca 0.60 -1.45 0.09 0.00 -1.18 0.00 0.00 61.69 59.75 3hf2 s THR 10 Cb -0.69 -3.23 0.38 0.00 1.34 0.00 0.00 72.50 70.30 3hf2 s THR 10 CO 0.59 -0.26 0.93 0.49 -0.54 0.00 0.00 174.62 175.83 3hf2 n PHE 11 N -1.24 2.48 -2.48 3.99 3.01 0.15 -4.98 117.46 118.38 3hf2 n PHE 11 Ca -0.05 -3.57 0.00 0.00 1.01 0.00 0.00 57.45 54.84 3hf2 n PHE 11 Cb 0.59 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 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 -0.14 2.22 0.00 1.37 0.00 -1.26 -2.38 105.19 105.00 3hf2 n GLY 12 Ca 0.28 -0.45 0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 13.28 0.59 0.00 1.61 0.28 -1.26 -1.97 120.64 133.17 3hf2 n GLU 13 Ca 0.00 -0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.14 3hf2 n GLU 13 Cb 0.00 -1.50 0.70 0.00 1.43 0.00 0.00 31.44 32.07 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 -1.20 0.00 0.00 -1.84 4.77 -1.00 -4.53 117.00 113.19 3hf2 n LEU 14 Ca 0.17 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 3hf2 n LEU 14 Cb 0.21 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3hf2 n LEU 14 CO 0.22 -0.02 0.00 0.29 -1.33 0.00 0.00 177.39 176.55 3hf2 n LYS 15 N -1.30 0.00 0.00 3.23 5.02 -0.83 -1.67 118.16 122.60 3hf2 n LYS 15 Ca 0.13 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.52 3hf2 n LYS 15 Cb 0.23 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.24 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 5.39 0.93 -0.20 4.39 4.13 0.01 0.32 115.26 130.22 3hf2 n ASN 16 Ca 0.00 -0.83 -0.00 0.00 1.68 0.00 0.00 54.58 55.43 3hf2 n ASN 16 Cb 0.00 0.75 0.07 0.00 -1.54 0.00 0.00 39.78 39.06 3hf2 n ASN 16 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3hf2 h LEU 17 N 0.18 -0.48 -1.32 3.41 5.85 -1.31 0.12 115.31 121.77 3hf2 h LEU 17 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3hf2 h LEU 17 Cb 0.52 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.89 3hf2 h LEU 17 CO 0.00 -0.18 0.13 -0.65 -0.34 0.00 0.00 178.44 177.40 3hf2 h PRO 18 N 0.03 0.00 -0.36 5.25 0.11 -1.84 0.54 132.00 135.73 3hf2 h PRO 18 Ca 0.30 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.52 3hf2 h PRO 18 Cb 0.47 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 3hf2 h PRO 18 CO -0.60 0.00 0.29 -0.07 -0.21 0.00 0.00 178.00 177.41 3hf2 h LEU 19 N 0.00 0.00 -1.61 2.35 3.38 -1.10 -1.97 115.31 116.36 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 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hf2 h LEU 19 CO 0.00 0.00 -0.15 0.18 0.09 0.00 0.00 178.44 178.56 3hf2 n LEU 20 N -4.20 2.63 -3.47 1.67 4.77 0.18 -4.52 117.00 114.07 3hf2 n LEU 20 Ca 0.06 -0.92 -0.37 0.00 -0.03 0.00 0.00 56.01 54.74 3hf2 n LEU 20 Cb 0.47 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3hf2 n LEU 20 CO 0.33 0.45 2.70 -3.20 -1.33 0.00 0.00 177.39 176.35 3hf2 n ASN 21 N 0.88 5.21 -3.72 -1.43 5.15 -0.74 -4.79 115.26 115.82 3hf2 n ASN 21 Ca 0.12 -2.61 -0.12 0.00 -0.60 0.00 0.00 54.58 51.36 3hf2 n ASN 21 Cb 0.54 -1.39 -0.07 0.00 -0.53 0.00 0.00 39.78 38.33 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 3.32 0.07 0.46 -0.44 -1.32 -1.26 -5.04 115.64 111.43 3hf2 s THR 22 Ca 0.54 -0.59 0.21 0.00 -1.21 0.00 0.00 61.69 60.64 3hf2 s THR 22 Cb 0.14 -0.92 0.25 0.00 -1.51 0.00 0.00 72.50 70.46 3hf2 s THR 22 CO -0.03 -0.32 2.06 0.44 -2.21 0.00 0.00 174.62 174.56 3hf2 h ASP 23 N 3.20 0.00 -2.17 8.08 3.32 -1.98 -3.36 116.42 123.51 3hf2 h ASP 23 Ca -0.31 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.15 3hf2 h ASP 23 Cb 1.20 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.33 3hf2 h ASP 23 CO 0.45 0.13 -0.70 0.29 -1.72 0.00 0.00 179.24 177.68 3hf2 n LYS 24 N -4.03 2.33 -0.11 3.56 5.02 -1.26 -4.25 118.16 119.43 3hf2 n LYS 24 Ca -0.02 -4.44 -0.13 0.00 -2.02 0.00 0.00 58.31 51.69 3hf2 n LYS 24 Cb 0.22 -2.08 -0.03 0.00 -0.02 0.00 0.00 35.03 33.12 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 3.88 0.85 -0.70 1.97 0.13 -1.87 -1.17 132.00 135.08 3hf2 h PRO 25 Ca 0.16 -0.45 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 3hf2 h PRO 25 Cb 0.68 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.79 3hf2 h PRO 25 CO 0.77 1.09 0.36 0.28 -0.23 0.00 0.00 178.00 180.26 3hf2 h VAL 26 N 0.64 1.23 -0.69 1.56 2.07 -1.96 -0.05 116.25 119.04 3hf2 h VAL 26 Ca 0.06 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 3hf2 h VAL 26 Cb 0.93 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3hf2 h VAL 26 CO 0.09 0.26 0.20 1.56 0.02 0.00 0.00 177.57 179.70 3hf2 h GLN 27 N 0.97 1.06 -0.50 1.57 4.20 -1.97 -0.62 115.11 119.83 3hf2 h GLN 27 Ca 0.24 -0.23 0.03 0.00 0.06 0.00 0.00 58.65 58.75 3hf2 h GLN 27 Cb 0.09 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 3hf2 h GLN 27 CO -0.03 0.92 0.29 0.00 -0.67 0.00 0.00 178.83 179.34 3hf2 h ALA 28 N 1.19 0.64 -0.60 3.87 0.00 -0.77 -2.34 119.26 121.26 3hf2 h ALA 28 Ca 0.22 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3hf2 h ALA 28 Cb 0.31 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3hf2 h ALA 28 CO -0.01 -0.02 0.26 -0.07 0.00 0.00 0.00 179.25 179.42 3hf2 h LEU 29 N 0.58 0.78 -0.65 0.00 3.38 -0.53 -0.76 115.31 118.11 3hf2 h LEU 29 Ca 0.21 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hf2 h LEU 29 Cb 0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3hf2 h LEU 29 CO -0.10 0.68 0.36 0.24 0.09 0.00 0.00 178.44 179.71 3hf2 h MET 30 N 0.85 0.90 -0.29 1.13 2.86 -0.93 0.15 114.93 119.61 3hf2 h MET 30 Ca 0.21 -0.10 -0.13 0.00 -2.06 0.00 0.00 59.70 57.62 3hf2 h MET 30 Cb 0.13 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3hf2 h MET 30 CO -0.02 0.67 -0.36 0.87 1.06 0.00 0.00 176.91 179.13 3hf2 h LYS 31 N 0.88 0.64 -0.35 1.72 1.57 -0.92 -0.51 116.57 119.59 3hf2 h LYS 31 Ca 0.23 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3hf2 h LYS 31 Cb 0.03 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3hf2 h LYS 31 CO -0.04 0.90 0.17 0.82 -0.57 0.00 0.00 179.45 180.74 3hf2 h ILE 32 N 0.54 1.16 -0.94 1.86 2.04 -0.83 -2.77 117.51 118.57 3hf2 h ILE 32 Ca 0.05 -0.46 0.07 0.00 1.00 0.00 0.00 64.86 65.52 3hf2 h ILE 32 Cb 0.87 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 3hf2 h ILE 32 CO 0.07 0.17 0.61 0.00 0.00 0.00 0.00 178.15 179.01 3hf2 h ALA 33 N 1.02 1.49 -0.95 1.87 0.00 -0.42 -0.25 119.26 122.02 3hf2 h ALA 33 Ca 0.12 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3hf2 h ALA 33 Cb 0.12 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3hf2 h ALA 33 CO -0.02 0.35 0.63 -0.44 0.00 0.00 0.00 179.25 179.78 3hf2 h ASP 34 N 1.06 1.10 0.99 0.00 3.32 -0.86 0.19 116.42 122.23 3hf2 h ASP 34 Ca 0.41 -0.03 -0.20 0.00 0.02 0.00 0.00 57.03 57.24 3hf2 h ASP 34 Cb 0.23 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3hf2 h ASP 34 CO -0.16 0.80 -0.93 1.05 -1.72 0.00 0.00 179.24 178.27 3hf2 h GLU 35 N 1.30 0.00 0.00 3.56 4.11 -1.17 -3.38 114.58 118.99 3hf2 h GLU 35 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.78 3hf2 h GLU 35 Cb -0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3hf2 h GLU 35 CO -0.08 0.93 -1.10 1.28 0.07 0.00 0.00 179.01 180.11 3hf2 n LEU 36 N -3.38 0.42 0.00 3.06 4.77 -0.15 -5.10 117.00 116.62 3hf2 n LEU 36 Ca 0.00 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3hf2 n LEU 36 Cb 0.90 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 3hf2 n LEU 36 CO 0.46 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3hf2 n GLY 37 N 1.46 -1.43 0.22 -0.72 0.00 0.67 -4.60 105.19 100.80 3hf2 n GLY 37 Ca 0.01 -1.63 0.15 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.79 1.61 4.11 -1.92 -3.42 114.58 112.17 3hf2 h GLU 38 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 3hf2 h GLU 38 Cb 0.00 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 28.99 3hf2 h GLU 38 CO 0.00 0.00 -0.31 -1.50 0.07 0.00 0.00 179.01 177.27 3hf2 s ILE 39 N -3.59 -0.01 0.04 -1.06 2.07 -1.25 -0.42 121.20 116.97 3hf2 s ILE 39 Ca 0.01 0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.28 3hf2 s ILE 39 Cb 0.09 -0.53 -0.03 0.00 0.13 0.00 0.00 42.46 42.12 3hf2 s ILE 39 CO 0.43 0.02 -0.01 0.72 -1.91 0.00 0.00 174.94 174.20 3hf2 s PHE 40 N 0.74 0.41 0.06 3.50 -0.12 -0.73 -4.40 117.98 117.44 3hf2 s PHE 40 Ca -0.04 -0.87 -0.20 0.00 -0.05 0.00 0.00 56.93 55.77 3hf2 s PHE 40 Cb -0.05 -0.30 -0.06 0.00 -0.63 0.00 0.00 43.02 41.97 3hf2 s PHE 40 CO -0.05 -0.34 0.59 0.21 -0.05 0.00 0.00 175.22 175.57 3hf2 s LYS 41 N -3.22 4.25 -0.13 1.99 2.20 -0.11 -0.36 119.74 124.37 3hf2 s LYS 41 Ca 0.00 0.76 -0.01 0.00 -0.36 0.00 0.00 55.97 56.37 3hf2 s LYS 41 Cb 0.03 -3.27 0.03 0.00 -1.51 0.00 0.00 37.83 33.11 3hf2 s LYS 41 CO -0.07 0.57 -0.05 0.12 -0.36 0.00 0.00 175.35 175.55 3hf2 s PHE 42 N -0.88 1.40 -0.00 4.03 2.19 0.39 -4.28 117.98 120.83 3hf2 s PHE 42 Ca 0.30 -0.76 0.03 0.00 0.33 0.00 0.00 56.93 56.83 3hf2 s PHE 42 Cb -0.19 -1.18 -0.03 0.00 -1.31 0.00 0.00 43.02 40.30 3hf2 s PHE 42 CO 0.19 -0.52 -0.09 -1.21 1.83 0.00 0.00 175.22 175.42 3hf2 s GLU 43 N 1.73 2.51 0.23 10.12 2.02 -1.26 -1.23 118.70 132.82 3hf2 s GLU 43 Ca 0.03 -0.73 0.04 0.00 0.02 0.00 0.00 54.97 54.33 3hf2 s GLU 43 Cb -0.14 -2.47 -0.05 0.00 0.10 0.00 0.00 34.13 31.58 3hf2 s GLU 43 CO -0.08 0.60 -0.02 0.00 0.02 0.00 0.00 175.26 175.78 3hf2 s ALA 44 N -0.95 1.85 0.18 5.21 0.00 -0.03 -0.81 121.76 127.20 3hf2 s ALA 44 Ca 0.16 -1.75 -0.32 0.00 0.00 0.00 0.00 51.96 50.05 3hf2 s ALA 44 Cb -0.11 0.40 -0.12 0.00 0.00 0.00 0.00 23.12 23.29 3hf2 s ALA 44 CO 0.06 -0.21 1.77 -0.35 0.00 0.00 0.00 175.76 177.03 3hf2 n PRO 45 N -0.42 2.80 -0.97 0.00 -0.04 -1.26 -1.97 135.00 133.14 3hf2 n PRO 45 Ca -0.06 1.01 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 3hf2 n PRO 45 Cb 0.63 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 3hf2 n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hf2 n GLY 46 N 4.07 0.87 3.31 0.55 0.00 -1.26 -5.00 105.19 107.73 3hf2 n GLY 46 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.07 0.92 0.04 1.61 1.70 -0.83 -5.17 118.95 117.15 3hf2 s ARG 47 Ca 0.00 -0.40 0.03 0.00 -0.47 0.00 0.00 55.73 54.89 3hf2 s ARG 47 Cb 0.00 0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 34.77 3hf2 s ARG 47 CO 0.00 -0.32 -0.09 0.54 -1.08 0.00 0.00 175.30 174.35 3hf2 s VAL 48 N -2.58 0.68 0.08 4.99 0.11 -1.26 -0.85 120.40 121.57 3hf2 s VAL 48 Ca -0.05 -0.96 -0.11 0.00 -2.93 0.00 0.00 61.98 57.93 3hf2 s VAL 48 Cb -0.01 -0.69 0.01 0.00 -1.53 0.00 0.00 36.38 34.17 3hf2 s VAL 48 CO -0.03 -0.22 0.25 0.28 -3.33 0.00 0.00 175.10 172.05 3hf2 s THR 49 N -1.08 0.11 -0.18 5.04 -1.32 -0.37 -4.51 115.64 113.34 3hf2 s THR 49 Ca -0.05 -0.92 -0.01 0.00 -1.21 0.00 0.00 61.69 59.49 3hf2 s THR 49 Cb -0.08 -1.17 -0.00 0.00 -1.51 0.00 0.00 72.50 69.73 3hf2 s THR 49 CO 0.01 -0.51 -0.11 -0.13 -2.21 0.00 0.00 174.62 171.66 3hf2 s ARG 50 N -3.43 3.29 -0.15 7.08 0.52 -0.95 -0.46 118.95 124.85 3hf2 s ARG 50 Ca 0.01 -0.70 -0.23 0.00 -0.52 0.00 0.00 55.73 54.30 3hf2 s ARG 50 Cb 0.02 -2.76 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 3hf2 s ARG 50 CO -0.09 -0.04 0.71 0.71 0.02 0.00 0.00 175.30 176.61 3hf2 s TYR 51 N 0.99 3.45 -0.13 -0.53 1.51 0.52 -1.02 117.35 122.15 3hf2 s TYR 51 Ca -0.01 1.12 -0.03 0.00 -1.01 0.00 0.00 57.07 57.13 3hf2 s TYR 51 Cb -0.15 -2.86 -0.03 0.00 -0.11 0.00 0.00 41.96 38.81 3hf2 s TYR 51 CO -0.02 -0.11 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.80 3hf2 s LEU 52 N 1.62 3.46 0.00 -1.29 1.02 0.53 -1.77 118.68 122.25 3hf2 s LEU 52 Ca 0.34 0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.50 3hf2 s LEU 52 Cb -0.17 -1.82 0.00 0.00 0.02 0.00 0.00 46.19 44.22 3hf2 s LEU 52 CO 0.13 0.25 0.00 -1.20 0.02 0.00 0.00 176.35 175.55 3hf2 n SER 53 N 3.00 2.35 -4.92 2.29 7.64 0.44 -1.88 113.62 122.53 3hf2 n SER 53 Ca -0.18 -0.11 -0.31 0.00 1.01 0.00 0.00 58.87 59.29 3hf2 n SER 53 Cb 0.53 0.69 -0.04 0.00 -1.01 0.00 0.00 64.21 64.37 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 -1.16 6.34 0.30 6.43 1.04 -1.25 -2.70 113.70 122.70 3hf2 s SER 54 Ca 0.00 0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.73 3hf2 s SER 54 Cb 0.00 -1.95 0.62 0.00 0.10 0.00 0.00 66.02 64.79 3hf2 s SER 54 CO 0.00 0.17 1.83 -0.61 0.98 0.00 0.00 173.24 175.61 3hf2 h GLN 55 N 3.09 0.90 -0.45 4.02 -0.00 -1.90 -0.99 115.11 119.78 3hf2 h GLN 55 Ca -0.45 -0.05 0.05 0.00 -0.00 0.00 0.00 58.65 58.20 3hf2 h GLN 55 Cb 1.16 -0.20 -0.05 0.00 0.00 0.00 0.00 27.48 28.39 3hf2 h GLN 55 CO 0.76 0.59 0.18 -0.09 0.00 0.00 0.00 178.83 180.27 3hf2 h ARG 56 N 0.92 0.35 0.17 1.69 2.43 -1.94 0.19 114.38 118.19 3hf2 h ARG 56 Ca 0.50 -0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 59.37 3hf2 h ARG 56 Cb 0.58 -0.08 0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3hf2 h ARG 56 CO -0.27 0.23 -1.31 -0.07 -1.51 0.00 0.00 179.97 177.04 3hf2 h LEU 57 N 0.36 0.56 -1.07 3.80 3.38 -1.92 -3.30 115.31 117.11 3hf2 h LEU 57 Ca 0.21 -0.91 0.08 0.00 0.09 0.00 0.00 57.88 57.34 3hf2 h LEU 57 Cb 0.18 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 3hf2 h LEU 57 CO -0.20 1.60 0.62 0.40 0.09 0.00 0.00 178.44 180.96 3hf2 h ILE 58 N -0.15 1.04 -0.90 1.22 2.04 -1.02 -1.59 117.51 118.15 3hf2 h ILE 58 Ca -0.25 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3hf2 h ILE 58 Cb 1.88 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 3hf2 h ILE 58 CO 0.16 0.20 0.57 0.50 0.00 0.00 0.00 178.15 179.57 3hf2 h LYS 59 N 1.07 1.21 -0.07 2.37 3.64 -1.06 -0.33 116.57 123.41 3hf2 h LYS 59 Ca 0.43 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 3hf2 h LYS 59 Cb 0.26 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3hf2 h LYS 59 CO -0.18 0.83 0.01 0.93 -2.27 0.00 0.00 179.45 178.77 3hf2 h GLU 60 N 1.24 0.11 -1.00 1.90 5.08 -1.46 -2.58 114.58 117.86 3hf2 h GLU 60 Ca 0.33 -0.03 0.27 0.00 -1.00 0.00 0.00 59.36 58.93 3hf2 h GLU 60 Cb -0.09 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 3hf2 h GLU 60 CO -0.07 0.32 0.68 0.00 -1.00 0.00 0.00 179.01 178.94 3hf2 h ALA 61 N 0.79 2.56 0.00 3.43 0.00 -0.97 0.08 119.26 125.14 3hf2 h ALA 61 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hf2 h ALA 61 Cb 0.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hf2 h ALA 61 CO 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 179.25 178.37 3hf2 s ASP 63 N -1.69 6.28 0.35 0.00 -1.08 0.01 -4.86 116.67 115.68 3hf2 s ASP 63 Ca 0.32 0.11 0.24 0.00 -0.52 0.00 0.00 52.55 52.70 3hf2 s ASP 63 Cb 0.15 -2.55 1.25 0.00 -1.46 0.00 0.00 42.92 40.30 3hf2 s ASP 63 CO 0.25 -1.62 1.75 -0.33 0.52 0.00 0.00 175.17 175.73 3hf2 h GLU 64 N 10.22 0.00 0.00 4.34 5.08 -1.85 -0.43 114.58 131.94 3hf2 h GLU 64 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3hf2 h GLU 64 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3hf2 h GLU 64 CO 1.20 0.00 -0.02 0.66 -1.00 0.00 0.00 179.01 179.84 3hf2 h SER 65 N 0.00 0.00 0.00 1.42 4.64 -1.96 -3.36 113.55 114.29 3hf2 h SER 65 Ca 0.00 -0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 3hf2 h SER 65 Cb 0.10 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.14 3hf2 h SER 65 CO 0.00 0.00 -1.94 0.54 -0.87 0.00 0.00 176.83 174.56 3hf2 n ARG 66 N -3.03 1.71 -3.98 4.77 1.74 -0.29 -4.90 116.66 112.68 3hf2 n ARG 66 Ca 0.04 -0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.00 3hf2 n ARG 66 Cb 0.52 -1.35 -0.13 0.00 -1.02 0.00 0.00 32.46 30.49 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 -2.33 0.25 0.20 -1.55 0.08 -0.51 -1.40 117.98 112.73 3hf2 s PHE 67 Ca -0.08 -0.27 0.07 0.00 0.12 0.00 0.00 56.93 56.77 3hf2 s PHE 67 Cb 0.04 -0.17 -0.05 0.00 -0.57 0.00 0.00 43.02 42.28 3hf2 s PHE 67 CO 0.55 -0.08 -0.11 0.34 -0.10 0.00 0.00 175.22 175.82 3hf2 s ASP 68 N -0.75 2.37 0.17 1.36 2.15 -0.74 -4.19 116.67 117.03 3hf2 s ASP 68 Ca -0.07 -1.06 -0.33 0.00 0.43 0.00 0.00 52.55 51.52 3hf2 s ASP 68 Cb -0.05 -0.10 -0.13 0.00 -0.30 0.00 0.00 42.92 42.33 3hf2 s ASP 68 CO -0.00 -0.25 1.63 1.17 -0.17 0.00 0.00 175.17 177.54 3hf2 n LYS 69 N -0.37 2.33 -4.02 4.34 4.81 -1.26 -0.87 118.16 123.12 3hf2 n LYS 69 Ca -0.08 0.84 -0.32 0.00 -0.87 0.00 0.00 58.31 57.88 3hf2 n LYS 69 Cb 0.61 -2.63 -0.06 0.00 0.02 0.00 0.00 35.03 32.97 3hf2 n LYS 69 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3hf2 s ASN 70 N 1.06 5.89 -0.44 3.14 2.47 -0.32 -4.66 114.94 122.09 3hf2 s ASN 70 Ca 0.78 0.16 -0.25 0.00 0.42 0.00 0.00 52.86 53.98 3hf2 s ASN 70 Cb -0.63 -1.72 0.02 0.00 -1.45 0.00 0.00 41.25 37.47 3hf2 s ASN 70 CO 0.37 0.23 0.88 -0.76 -3.72 0.00 0.00 177.10 174.10 3hf2 s LEU 71 N -2.09 4.06 1.23 3.21 1.43 -1.26 -4.38 118.68 120.88 3hf2 s LEU 71 Ca 0.28 0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 53.40 3hf2 s LEU 71 Cb -0.12 -3.14 0.31 0.00 0.03 0.00 0.00 46.19 43.26 3hf2 s LEU 71 CO 0.20 -0.96 1.00 -0.94 0.23 0.00 0.00 176.35 175.87 3hf2 s SER 72 N 2.14 0.47 0.21 2.29 1.04 -1.26 -4.64 113.70 113.95 3hf2 s SER 72 Ca 0.35 1.39 -0.10 0.00 0.48 0.00 0.00 55.95 58.08 3hf2 s SER 72 Cb -0.11 -2.15 0.29 0.00 0.10 0.00 0.00 66.02 64.15 3hf2 s SER 72 CO 0.24 -4.49 1.71 -0.61 0.98 0.00 0.00 173.24 171.06 3hf2 h GLN 73 N -2.82 0.26 0.11 4.02 5.75 -1.99 -0.22 115.11 120.21 3hf2 h GLN 73 Ca -0.60 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 57.90 3hf2 h GLN 73 Cb 1.34 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.79 3hf2 h GLN 73 CO 0.48 0.17 -0.30 0.00 -2.65 0.00 0.00 178.83 176.53 3hf2 h ALA 74 N 1.47 -0.49 -0.38 3.38 0.00 -1.91 -2.82 119.26 118.51 3hf2 h ALA 74 Ca 0.31 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3hf2 h ALA 74 Cb 0.45 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3hf2 h ALA 74 CO -0.39 -0.83 0.16 -0.07 0.00 0.00 0.00 179.25 178.12 3hf2 h LEU 75 N -0.51 0.47 -1.15 0.00 3.38 -1.75 -1.34 115.31 114.41 3hf2 h LEU 75 Ca 0.03 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3hf2 h LEU 75 Cb 0.54 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3hf2 h LEU 75 CO -0.18 0.43 0.58 0.11 0.09 0.00 0.00 178.44 179.46 3hf2 h LYS 76 N 0.53 1.06 -0.04 1.13 1.57 -0.84 -0.11 116.57 119.87 3hf2 h LYS 76 Ca 0.13 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.64 3hf2 h LYS 76 Cb 0.09 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.18 3hf2 h LYS 76 CO -0.02 0.70 -0.79 0.74 -0.57 0.00 0.00 179.45 179.52 3hf2 h PHE 77 N 1.09 0.86 -0.55 -1.35 0.04 -1.10 -3.09 116.94 112.83 3hf2 h PHE 77 Ca 0.35 -0.44 0.04 0.00 2.80 0.00 0.00 57.97 60.72 3hf2 h PHE 77 Cb 0.04 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 3hf2 h PHE 77 CO -0.00 1.27 0.37 0.28 -0.60 0.00 0.00 178.31 179.62 3hf2 h VAL 78 N 0.22 1.03 -0.23 -0.55 2.07 -0.97 -1.37 116.25 116.45 3hf2 h VAL 78 Ca -0.09 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.30 3hf2 h VAL 78 Cb 1.45 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3hf2 h VAL 78 CO 0.16 0.11 0.22 -0.09 0.02 0.00 0.00 177.57 177.98 3hf2 h ARG 79 N 0.59 0.00 -0.33 1.57 2.43 -0.93 0.32 114.38 118.02 3hf2 h ARG 79 Ca 0.23 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.50 3hf2 h ARG 79 Cb 0.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3hf2 h ARG 79 CO -0.06 0.00 0.28 -0.44 -1.51 0.00 0.00 179.97 178.24 3hf2 h ASP 80 N 0.00 0.00 0.00 -3.80 3.32 -1.33 0.29 116.42 114.90 3hf2 h ASP 80 Ca 0.11 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3hf2 h ASP 80 Cb 0.55 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 3hf2 h ASP 80 CO -0.00 0.00 -1.13 2.22 -1.72 0.00 0.00 179.24 178.61 3hf2 n PHE 81 N -4.09 0.00 1.19 4.55 -1.74 0.81 -4.67 117.46 113.51 3hf2 n PHE 81 Ca 0.05 0.00 0.13 0.00 -0.56 0.00 0.00 57.45 57.07 3hf2 n PHE 81 Cb 0.45 -0.07 0.30 0.00 1.52 0.00 0.00 39.48 41.68 3hf2 n PHE 81 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3hf2 n ALA 82 N -1.67 3.20 -0.31 1.98 0.00 0.54 -4.93 120.51 119.33 3hf2 n ALA 82 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3hf2 n ALA 82 Cb 0.14 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3hf2 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hf2 n GLY 83 N 1.36 2.02 2.29 0.00 0.00 0.10 -2.12 105.19 108.85 3hf2 n GLY 83 Ca 0.11 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.33 6.89 -4.31 1.61 5.75 -1.26 -4.41 116.55 120.50 3hf2 n ASP 84 Ca 0.00 -3.76 -0.29 0.00 -0.01 0.00 0.00 54.79 50.73 3hf2 n ASP 84 Cb 0.00 -0.93 0.25 0.00 -1.03 0.00 0.00 41.12 39.41 3hf2 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hf2 n GLY 85 N -0.96 -2.39 0.24 6.12 0.00 -0.90 -4.70 105.19 102.61 3hf2 n GLY 85 Ca 0.62 -1.16 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 3hf2 n GLY 85 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hf2 h LEU 86 N -2.71 0.69 -1.37 0.99 3.38 -1.89 -2.42 115.31 111.98 3hf2 h LEU 86 Ca -0.59 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.29 3hf2 h LEU 86 Cb 1.33 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3hf2 h LEU 86 CO 0.45 0.52 -0.12 0.15 0.09 0.00 0.00 178.44 179.53 3hf2 h PHE 87 N 0.80 0.29 0.00 1.13 3.57 -1.94 -3.26 116.94 117.52 3hf2 h PHE 87 Ca 0.21 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3hf2 h PHE 87 Cb -0.06 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 3hf2 h PHE 87 CO -0.03 0.40 -0.18 0.25 -2.23 0.00 0.00 178.31 176.52 3hf2 n THR 88 N -4.27 1.96 -4.06 4.41 -2.24 -1.12 -5.01 114.28 103.96 3hf2 n THR 88 Ca -0.00 -2.56 -0.25 0.00 -2.27 0.00 0.00 64.05 58.96 3hf2 n THR 88 Cb 0.27 -0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 68.23 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 -2.97 5.72 0.36 3.42 1.04 -0.93 -4.68 113.70 115.66 3hf2 s SER 89 Ca 0.34 -0.09 -0.25 0.00 0.48 0.00 0.00 55.95 56.43 3hf2 s SER 89 Cb 0.31 -1.55 -0.10 0.00 0.10 0.00 0.00 66.02 64.78 3hf2 s SER 89 CO -0.01 0.04 0.98 0.26 0.98 0.00 0.00 173.24 175.49 3hf2 s TRP 90 N -1.84 3.50 0.37 5.02 0.52 -1.26 -4.96 118.94 120.29 3hf2 s TRP 90 Ca 0.32 1.71 0.11 0.00 0.02 0.00 0.00 56.10 58.26 3hf2 s TRP 90 Cb -0.10 -2.98 0.87 0.00 -1.15 0.00 0.00 33.47 30.11 3hf2 s TRP 90 CO 0.25 -0.11 1.87 1.15 0.02 0.00 0.00 176.95 180.13 3hf2 h THR 91 N 2.39 0.80 -0.01 2.01 2.02 -1.97 -0.44 112.91 117.71 3hf2 h THR 91 Ca -0.48 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.49 3hf2 h THR 91 Cb 1.20 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3hf2 h THR 91 CO 0.64 0.12 -0.04 0.00 0.37 0.00 0.00 175.52 176.60 3hf2 n HIS 92 N -4.56 0.00 -2.50 3.16 1.44 -1.26 -4.49 115.22 107.01 3hf2 n HIS 92 Ca 0.18 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.47 3hf2 n HIS 92 Cb 0.51 -0.04 -0.04 0.00 0.12 0.00 0.00 29.99 30.55 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 -2.12 4.55 0.29 -1.40 2.02 -0.17 -4.93 118.70 116.94 3hf2 s GLU 93 Ca 0.37 1.71 0.03 0.00 0.02 0.00 0.00 54.97 57.10 3hf2 s GLU 93 Cb 0.21 -3.30 0.73 0.00 0.10 0.00 0.00 34.13 31.86 3hf2 s GLU 93 CO 0.38 -0.02 1.64 -0.22 0.02 0.00 0.00 175.26 177.07 3hf2 h LYS 94 N 5.62 0.18 0.00 1.61 3.64 -1.87 -0.42 116.57 125.32 3hf2 h LYS 94 Ca -0.43 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3hf2 h LYS 94 Cb 1.21 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3hf2 h LYS 94 CO 0.75 0.12 0.00 -0.91 -2.27 0.00 0.00 179.45 177.14 3hf2 h ASN 95 N 0.19 0.00 0.63 4.20 -0.26 -1.91 -2.88 115.58 115.55 3hf2 h ASN 95 Ca 0.56 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.27 3hf2 h ASN 95 Cb 1.15 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.42 3hf2 h ASN 95 CO -0.68 0.00 -0.30 -0.25 -1.06 0.00 0.00 177.43 175.14 3hf2 h TRP 96 N 0.00 -0.79 -0.39 1.19 7.01 -1.31 -2.42 115.95 119.24 3hf2 h TRP 96 Ca 0.00 -0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.85 3hf2 h TRP 96 Cb 0.37 0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.68 3hf2 h TRP 96 CO 0.00 -0.45 -0.27 -0.22 -2.79 0.00 0.00 178.44 174.72 3hf2 h LYS 97 N -1.09 0.81 0.10 2.65 1.63 -1.65 0.18 116.57 119.19 3hf2 h LYS 97 Ca -0.09 -0.36 0.02 0.00 -0.85 0.00 0.00 60.65 59.38 3hf2 h LYS 97 Cb 0.70 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.26 3hf2 h LYS 97 CO 0.14 0.98 -0.30 0.87 -3.45 0.00 0.00 179.45 177.70 3hf2 h LYS 98 N 0.70 -0.49 -0.23 1.90 1.57 -1.58 -0.11 116.57 118.33 3hf2 h LYS 98 Ca 0.09 0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.76 3hf2 h LYS 98 Cb 0.80 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 3hf2 h LYS 98 CO 0.07 -0.33 -0.45 0.00 -0.57 0.00 0.00 179.45 178.17 3hf2 h ALA 99 N 0.18 0.79 -0.56 3.86 0.00 -1.13 -1.47 119.26 120.93 3hf2 h ALA 99 Ca 0.04 -0.46 0.07 0.00 0.00 0.00 0.00 54.91 54.55 3hf2 h ALA 99 Cb 0.55 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3hf2 h ALA 99 CO -0.19 0.66 0.25 1.25 0.00 0.00 0.00 179.25 181.22 3hf2 h HIS 100 N 0.47 0.45 -0.39 0.00 -0.00 -0.37 0.55 115.15 115.86 3hf2 h HIS 100 Ca 0.03 0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 60.27 3hf2 h HIS 100 Cb 0.97 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 28.25 3hf2 h HIS 100 CO 0.04 0.18 -0.37 -0.91 -0.00 0.00 0.00 177.93 176.87 3hf2 h ASN 101 N 0.47 0.98 -0.24 3.26 2.35 -0.79 -2.31 115.58 119.30 3hf2 h ASN 101 Ca 0.26 -0.44 -0.12 0.00 -0.55 0.00 0.00 56.30 55.45 3hf2 h ASN 101 Cb 0.24 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3hf2 h ASN 101 CO -0.22 1.23 -0.26 0.40 -1.65 0.00 0.00 177.43 176.93 3hf2 h ILE 102 N 0.76 1.27 0.00 2.81 2.04 -0.96 -3.28 117.51 120.15 3hf2 h ILE 102 Ca 0.06 -1.37 -0.12 0.00 1.00 0.00 0.00 64.86 64.43 3hf2 h ILE 102 Cb 0.96 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3hf2 h ILE 102 CO 0.09 0.45 -1.00 -0.07 0.00 0.00 0.00 178.15 177.63 3hf2 h LEU 103 N 0.63 0.00 -0.75 1.44 3.38 -0.81 -3.38 115.31 115.82 3hf2 h LEU 103 Ca 0.08 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.20 3hf2 h LEU 103 Cb 0.76 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.37 3hf2 h LEU 103 CO 0.06 0.45 -0.20 -0.07 0.09 0.00 0.00 178.44 178.77 3hf2 h LEU 104 N 0.00 -0.74 -2.13 1.67 4.07 -1.47 -0.77 115.31 115.93 3hf2 h LEU 104 Ca -0.08 0.23 0.03 0.00 0.08 0.00 0.00 57.88 58.14 3hf2 h LEU 104 Cb 1.41 0.48 -0.00 0.00 1.08 0.00 0.00 40.66 43.63 3hf2 h LEU 104 CO 0.04 -0.25 0.10 -0.65 -1.08 0.00 0.00 178.44 176.60 3hf2 h PRO 105 N -0.01 0.00 0.00 1.13 0.11 -1.78 -1.12 132.00 130.32 3hf2 h PRO 105 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3hf2 h PRO 105 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3hf2 h PRO 105 CO -0.78 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 177.78 3hf2 h SER 106 N 0.00 0.00 -0.41 -2.05 0.02 -1.36 -2.34 113.55 107.40 3hf2 h SER 106 Ca 0.06 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.74 3hf2 h SER 106 Cb 0.25 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.61 3hf2 h SER 106 CO -0.00 0.00 -0.32 0.49 -1.14 0.00 0.00 176.83 175.86 3hf2 n PHE 107 N -2.31 1.40 -3.53 3.45 3.01 -0.43 -4.73 117.46 114.32 3hf2 n PHE 107 Ca 0.00 -1.85 -0.35 0.00 1.01 0.00 0.00 57.45 56.26 3hf2 n PHE 107 Cb 0.13 -0.46 -0.06 0.00 -0.01 0.00 0.00 39.48 39.08 3hf2 n PHE 107 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3hf2 s SER 108 N -2.95 6.68 0.28 4.37 1.04 -0.88 -4.85 113.70 117.38 3hf2 s SER 108 Ca 0.46 0.85 -0.03 0.00 0.48 0.00 0.00 55.95 57.71 3hf2 s SER 108 Cb 0.41 -2.20 0.58 0.00 0.10 0.00 0.00 66.02 64.91 3hf2 s SER 108 CO -0.01 0.16 1.59 1.56 0.98 0.00 0.00 173.24 177.53 3hf2 h GLN 109 N 3.71 0.04 -0.42 4.02 7.50 -1.96 1.01 115.11 129.02 3hf2 h GLN 109 Ca -0.49 -0.00 0.09 0.00 0.50 0.00 0.00 58.65 58.74 3hf2 h GLN 109 Cb 1.19 -0.01 -0.09 0.00 0.05 0.00 0.00 27.48 28.63 3hf2 h GLN 109 CO 0.66 0.03 -0.18 1.96 -1.50 0.00 0.00 178.83 179.80 3hf2 h GLN 110 N 0.05 -0.10 -0.76 1.46 7.50 -1.93 0.35 115.11 121.68 3hf2 h GLN 110 Ca 0.51 0.01 -0.06 0.00 0.50 0.00 0.00 58.65 59.61 3hf2 h GLN 110 Cb 0.95 0.02 -0.03 0.00 0.05 0.00 0.00 27.48 28.47 3hf2 h GLN 110 CO -0.84 -0.07 0.26 0.00 -1.50 0.00 0.00 178.83 176.68 3hf2 h ALA 111 N 1.21 1.00 -0.36 3.87 0.00 0.48 -2.72 119.26 122.73 3hf2 h ALA 111 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hf2 h ALA 111 Cb 0.42 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3hf2 h ALA 111 CO -0.49 0.67 0.24 0.52 0.00 0.00 0.00 179.25 180.19 3hf2 h MET 112 N 1.13 0.48 -0.57 0.00 2.86 0.13 0.15 114.93 119.11 3hf2 h MET 112 Ca 0.25 -0.03 0.16 0.00 -2.06 0.00 0.00 59.70 58.02 3hf2 h MET 112 Cb 0.28 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3hf2 h MET 112 CO -0.01 0.32 0.43 0.87 1.06 0.00 0.00 176.91 179.58 3hf2 h LYS 113 N 0.49 0.00 0.06 1.72 1.57 -0.93 -1.96 116.57 117.51 3hf2 h LYS 113 Ca 0.13 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3hf2 h LYS 113 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3hf2 h LYS 113 CO -0.03 0.00 -0.03 0.78 -0.57 0.00 0.00 179.45 179.60 3hf2 h GLY 114 N 0.00 -0.08 2.00 3.86 0.00 -0.70 -3.24 103.07 104.91 3hf2 h GLY 114 Ca 0.27 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 3hf2 h GLY 114 CO -0.00 -0.03 -0.04 -0.97 0.00 0.00 0.00 176.54 175.50 3hf2 h TYR 115 N -0.62 0.00 -0.67 5.60 0.05 -0.85 -3.33 116.97 117.16 3hf2 h TYR 115 Ca -0.01 0.00 0.13 0.00 0.05 0.00 0.00 58.73 58.90 3hf2 h TYR 115 Cb 0.54 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.18 3hf2 h TYR 115 CO 0.10 0.04 0.17 1.25 -1.05 0.00 0.00 178.16 178.67 3hf2 h HIS 116 N 0.00 0.27 -0.61 4.88 2.76 -1.39 -1.36 115.15 119.70 3hf2 h HIS 116 Ca -0.00 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3hf2 h HIS 116 Cb 0.10 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 3hf2 h HIS 116 CO 0.00 -0.03 0.37 0.00 -1.30 0.00 0.00 177.93 176.97 3hf2 h ALA 117 N 1.53 0.77 -0.23 5.26 0.00 -1.79 -0.82 119.26 123.98 3hf2 h ALA 117 Ca 0.36 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 3hf2 h ALA 117 Cb 0.56 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hf2 h ALA 117 CO -0.43 0.25 -0.35 0.52 0.00 0.00 0.00 179.25 179.23 3hf2 h MET 118 N 0.82 0.50 -0.66 0.00 2.07 -1.60 -1.42 114.93 114.65 3hf2 h MET 118 Ca 0.22 -0.23 -0.01 0.00 -2.07 0.00 0.00 59.70 57.61 3hf2 h MET 118 Cb -0.03 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.66 3hf2 h MET 118 CO -0.04 0.79 0.38 0.52 1.07 0.00 0.00 176.91 179.62 3hf2 h MET 119 N 0.42 0.91 -0.80 1.72 2.86 -0.69 -2.61 114.93 116.75 3hf2 h MET 119 Ca 0.05 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3hf2 h MET 119 Cb 0.82 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 3hf2 h MET 119 CO 0.07 0.67 0.36 0.28 1.06 0.00 0.00 176.91 179.34 3hf2 h VAL 120 N 0.90 1.26 -0.34 -2.22 2.07 -0.87 -0.13 116.25 116.92 3hf2 h VAL 120 Ca 0.23 -0.76 0.07 0.00 0.82 0.00 0.00 66.70 67.07 3hf2 h VAL 120 Cb 0.01 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 29.98 3hf2 h VAL 120 CO -0.04 0.32 -0.16 -0.78 0.02 0.00 0.00 177.57 176.93 3hf2 h ASP 121 N 1.15 -0.55 0.42 0.57 1.82 -0.94 0.25 116.42 119.14 3hf2 h ASP 121 Ca 0.27 0.13 -0.20 0.00 -0.39 0.00 0.00 57.03 56.84 3hf2 h ASP 121 Cb 0.16 0.30 -0.00 0.00 0.68 0.00 0.00 39.33 40.47 3hf2 h ASP 121 CO -0.03 -0.20 -0.87 0.40 -1.61 0.00 0.00 179.24 176.94 3hf2 h ILE 122 N -0.11 1.43 -0.67 2.25 1.08 -1.18 -2.74 117.51 117.58 3hf2 h ILE 122 Ca 0.17 -2.44 -0.01 0.00 -0.39 0.00 0.00 64.86 62.19 3hf2 h ILE 122 Cb 0.37 2.37 -0.03 0.00 -3.07 0.00 0.00 36.82 36.45 3hf2 h ILE 122 CO -0.41 0.72 0.37 0.00 -0.69 0.00 0.00 178.15 178.14 3hf2 h ALA 123 N 0.88 0.86 -0.35 1.87 0.00 -0.35 -1.47 119.26 120.70 3hf2 h ALA 123 Ca -0.05 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3hf2 h ALA 123 Cb 1.48 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3hf2 h ALA 123 CO 0.14 0.37 0.14 0.28 0.00 0.00 0.00 179.25 180.18 3hf2 h VAL 124 N 0.91 0.93 -0.98 0.00 2.07 -0.48 -1.03 116.25 117.67 3hf2 h VAL 124 Ca 0.24 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.70 3hf2 h VAL 124 Cb 0.04 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 3hf2 h VAL 124 CO -0.04 0.05 0.64 1.56 0.02 0.00 0.00 177.57 179.81 3hf2 h GLN 125 N 0.30 1.18 -0.46 1.57 4.20 -1.12 0.15 115.11 120.93 3hf2 h GLN 125 Ca 0.15 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3hf2 h GLN 125 Cb 0.11 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 3hf2 h GLN 125 CO -0.14 0.78 0.24 1.25 -0.67 0.00 0.00 178.83 180.30 3hf2 h LEU 126 N 1.22 0.58 -0.43 1.46 5.85 -0.49 -0.91 115.31 122.59 3hf2 h LEU 126 Ca 0.40 -0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.85 3hf2 h LEU 126 Cb 0.04 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 3hf2 h LEU 126 CO -0.13 0.52 -0.49 0.58 -0.34 0.00 0.00 178.44 178.58 3hf2 h VAL 127 N 0.60 1.29 -0.44 1.05 2.07 -0.16 -2.80 116.25 117.86 3hf2 h VAL 127 Ca 0.16 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 3hf2 h VAL 127 Cb 0.07 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3hf2 h VAL 127 CO -0.02 0.54 0.24 1.56 0.02 0.00 0.00 177.57 179.91 3hf2 h GLN 128 N 0.60 0.62 -0.75 1.57 4.20 -0.70 -0.33 115.11 120.32 3hf2 h GLN 128 Ca 0.03 -0.07 0.16 0.00 0.06 0.00 0.00 58.65 58.83 3hf2 h GLN 128 Cb 1.07 -0.12 -0.11 0.00 0.30 0.00 0.00 27.48 28.62 3hf2 h GLN 128 CO 0.11 0.49 0.21 -0.22 -0.67 0.00 0.00 178.83 178.75 3hf2 h LYS 129 N 0.58 0.30 -0.02 1.46 3.64 -1.02 -2.00 116.57 119.51 3hf2 h LYS 129 Ca 0.16 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.27 3hf2 h LYS 129 Cb 0.06 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3hf2 h LYS 129 CO -0.02 0.20 -0.98 -1.49 -2.27 0.00 0.00 179.45 174.88 3hf2 h TRP 130 N 0.30 0.92 -0.60 1.91 6.55 -1.22 -2.97 115.95 120.85 3hf2 h TRP 130 Ca 0.43 -0.49 0.13 0.00 0.95 0.00 0.00 58.89 59.90 3hf2 h TRP 130 Cb 0.72 -0.11 -0.03 0.00 -0.86 0.00 0.00 29.16 28.88 3hf2 h TRP 130 CO -0.24 1.32 0.41 0.93 -1.05 0.00 0.00 178.44 179.81 3hf2 h GLU 131 N 0.36 0.26 -0.02 0.49 4.39 -0.69 -2.60 114.58 116.78 3hf2 h GLU 131 Ca -0.11 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3hf2 h GLU 131 Cb 1.63 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.22 3hf2 h GLU 131 CO 0.19 0.17 -0.08 0.54 -1.16 0.00 0.00 179.01 178.67 3hf2 n ARG 132 N -4.45 1.53 -2.19 2.33 1.74 -0.78 -4.87 116.66 109.96 3hf2 n ARG 132 Ca 0.11 -0.97 -0.35 0.00 -0.77 0.00 0.00 57.85 55.86 3hf2 n ARG 132 Cb 0.48 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.45 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 -2.13 3.75 0.59 0.55 1.43 -0.98 -5.03 118.68 116.85 3hf2 s LEU 133 Ca 0.33 2.24 -0.07 0.00 -1.03 0.00 0.00 54.13 55.60 3hf2 s LEU 133 Cb 0.20 -4.56 -0.00 0.00 0.03 0.00 0.00 46.19 41.86 3hf2 s LEU 133 CO 0.38 -1.30 0.93 0.20 0.23 0.00 0.00 176.35 176.79 3hf2 s ASN 134 N -1.69 5.77 0.27 2.29 0.01 -1.26 -5.00 114.94 115.32 3hf2 s ASN 134 Ca 0.73 0.90 -0.30 0.00 -0.71 0.00 0.00 52.86 53.49 3hf2 s ASN 134 Cb -0.26 -1.93 -0.14 0.00 0.41 0.00 0.00 41.25 39.33 3hf2 s ASN 134 CO 0.29 -0.99 1.16 0.00 -1.51 0.00 0.00 177.10 176.04 3hf2 n ALA 135 N -2.61 0.16 -0.95 0.60 0.00 -1.26 -2.01 120.51 114.45 3hf2 n ALA 135 Ca 0.04 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3hf2 n ALA 135 Cb 0.57 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3hf2 n ALA 135 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hf2 n ASP 136 N 1.47 -4.37 -4.82 0.00 10.43 -1.26 -5.00 116.55 113.00 3hf2 n ASP 136 Ca 0.10 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 57.14 3hf2 n ASP 136 Cb 0.31 -2.52 0.02 0.00 1.84 0.00 0.00 41.12 40.77 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 -1.32 3.34 0.47 -1.24 2.02 -0.85 -5.09 118.70 116.02 3hf2 s GLU 137 Ca 0.00 1.02 0.02 0.00 0.02 0.00 0.00 54.97 56.03 3hf2 s GLU 137 Cb 0.00 -2.04 -0.02 0.00 0.10 0.00 0.00 34.13 32.16 3hf2 s GLU 137 CO 0.00 -0.78 0.04 -3.38 0.02 0.00 0.00 175.26 171.16 3hf2 s HIS 138 N -2.77 1.90 -0.06 1.61 -3.43 -1.26 -4.67 115.29 106.61 3hf2 s HIS 138 Ca 0.60 -1.02 0.05 0.00 -0.80 0.00 0.00 55.06 53.88 3hf2 s HIS 138 Cb -0.14 -1.49 -0.00 0.00 -1.43 0.00 0.00 32.58 29.52 3hf2 s HIS 138 CO 0.44 0.09 -0.21 0.42 -2.00 0.00 0.00 174.74 173.48 3hf2 s ILE 139 N -2.97 1.77 -0.62 -5.38 1.01 0.36 -4.99 121.20 110.37 3hf2 s ILE 139 Ca 0.14 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.69 3hf2 s ILE 139 Cb 0.03 -1.51 0.08 0.00 0.01 0.00 0.00 42.46 41.07 3hf2 s ILE 139 CO 0.08 0.50 0.85 -1.61 0.00 0.00 0.00 174.94 174.76 3hf2 s GLU 140 N 0.05 3.10 0.04 2.79 2.02 -1.26 -2.45 118.70 122.99 3hf2 s GLU 140 Ca -0.07 -0.98 -0.31 0.00 0.02 0.00 0.00 54.97 53.63 3hf2 s GLU 140 Cb -0.14 -4.23 -0.18 0.00 0.10 0.00 0.00 34.13 29.69 3hf2 s GLU 140 CO 0.04 -1.67 1.37 0.28 0.02 0.00 0.00 175.26 175.30 3hf2 h VAL 141 N 5.95 0.13 -0.41 2.63 2.07 -1.67 -1.59 116.25 123.37 3hf2 h VAL 141 Ca -0.29 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3hf2 h VAL 141 Cb 1.08 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3hf2 h VAL 141 CO 1.14 0.01 0.19 1.55 0.02 0.00 0.00 177.57 180.48 3hf2 h PRO 142 N -1.18 0.57 -0.52 1.57 0.13 -1.85 0.92 132.00 131.64 3hf2 h PRO 142 Ca -0.11 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 3hf2 h PRO 142 Cb 0.81 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 3hf2 h PRO 142 CO 0.17 0.45 0.27 0.93 -0.23 0.00 0.00 178.00 179.59 3hf2 h GLU 143 N 0.57 0.74 -0.12 0.86 3.07 -1.91 0.56 114.58 118.34 3hf2 h GLU 143 Ca 0.14 -0.10 -0.20 0.00 -0.50 0.00 0.00 59.36 58.71 3hf2 h GLU 143 Cb 0.07 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 3hf2 h GLU 143 CO -0.02 0.59 -0.72 -0.44 -1.40 0.00 0.00 179.01 177.02 3hf2 h ASP 144 N 0.69 0.67 -0.61 1.42 3.32 -0.79 -2.42 116.42 118.70 3hf2 h ASP 144 Ca 0.18 -0.43 -0.07 0.00 0.02 0.00 0.00 57.03 56.73 3hf2 h ASP 144 Cb 0.08 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3hf2 h ASP 144 CO -0.03 1.19 0.12 0.24 -1.72 0.00 0.00 179.24 179.04 3hf2 h MET 145 N 0.39 1.03 -0.42 3.56 2.86 -0.64 -1.77 114.93 119.95 3hf2 h MET 145 Ca -0.03 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 3hf2 h MET 145 Cb 1.31 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 3hf2 h MET 145 CO 0.13 0.93 0.20 1.15 1.06 0.00 0.00 176.91 180.39 3hf2 h THR 146 N 0.97 1.18 -0.58 2.22 2.02 -0.86 -1.28 112.91 116.57 3hf2 h THR 146 Ca 0.20 -0.51 0.07 0.00 0.77 0.00 0.00 66.41 66.94 3hf2 h THR 146 Cb 0.39 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 3hf2 h THR 146 CO 0.01 0.19 0.26 0.03 0.37 0.00 0.00 175.52 176.39 3hf2 h ARG 147 N 0.53 0.47 0.01 6.66 3.08 -1.20 -0.20 114.38 123.74 3hf2 h ARG 147 Ca 0.14 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3hf2 h ARG 147 Cb 0.12 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3hf2 h ARG 147 CO -0.02 0.31 -0.01 1.25 -1.07 0.00 0.00 179.97 180.44 3hf2 h LEU 148 N 0.49 -0.01 -0.49 3.04 6.46 -1.03 -2.20 115.31 121.57 3hf2 h LEU 148 Ca 0.28 -0.19 -0.17 0.00 -0.12 0.00 0.00 57.88 57.68 3hf2 h LEU 148 Cb 0.26 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 3hf2 h LEU 148 CO -0.23 0.18 -0.59 0.71 -0.62 0.00 0.00 178.44 177.89 3hf2 h THR 149 N -0.21 1.33 0.04 1.05 1.35 -0.98 0.06 112.91 115.55 3hf2 h THR 149 Ca -0.00 -1.86 -0.00 0.00 -0.55 0.00 0.00 66.41 64.00 3hf2 h THR 149 Cb 0.20 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3hf2 h THR 149 CO 0.00 0.58 -0.02 0.25 -0.25 0.00 0.00 175.52 176.08 3hf2 h LEU 150 N 0.40 -0.04 -1.05 3.87 5.85 -1.11 -1.36 115.31 121.88 3hf2 h LEU 150 Ca -0.00 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.62 3hf2 h LEU 150 Cb 1.14 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 3hf2 h LEU 150 CO 0.11 0.10 0.64 0.44 -0.34 0.00 0.00 178.44 179.39 3hf2 h ASP 151 N -0.18 1.08 -0.37 1.25 5.19 -1.24 0.40 116.42 122.54 3hf2 h ASP 151 Ca -0.00 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.33 3hf2 h ASP 151 Cb 0.16 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 3hf2 h ASP 151 CO 0.01 0.75 -0.01 0.74 -3.12 0.00 0.00 179.24 177.60 3hf2 h THR 152 N 1.26 1.26 -0.03 0.35 2.02 -0.85 0.11 112.91 117.03 3hf2 h THR 152 Ca 0.38 -1.02 -0.20 0.00 0.77 0.00 0.00 66.41 66.34 3hf2 h THR 152 Cb -0.03 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3hf2 h THR 152 CO -0.11 0.34 -0.85 -0.29 0.37 0.00 0.00 175.52 174.98 3hf2 h ILE 153 N 0.48 1.41 -0.28 3.11 6.09 -1.01 0.11 117.51 127.43 3hf2 h ILE 153 Ca 0.10 -2.38 0.05 0.00 -1.37 0.00 0.00 64.86 61.26 3hf2 h ILE 153 Cb 0.49 2.32 -0.04 0.00 0.47 0.00 0.00 36.82 40.05 3hf2 h ILE 153 CO 0.02 0.71 0.02 1.23 -3.07 0.00 0.00 178.15 177.05 3hf2 h GLY 154 N 1.40 0.28 0.76 8.18 0.00 -0.70 -0.68 103.07 112.31 3hf2 h GLY 154 Ca -0.05 0.02 -0.17 0.00 0.00 0.00 0.00 47.33 47.12 3hf2 h GLY 154 CO 0.14 -0.04 -0.72 -2.00 0.00 0.00 0.00 176.54 173.91 3hf2 h LEU 155 N 0.10 0.52 -0.57 3.11 5.85 -0.50 -2.00 115.31 121.83 3hf2 h LEU 155 Ca 0.13 -0.85 -0.16 0.00 0.84 0.00 0.00 57.88 57.84 3hf2 h LEU 155 Cb 0.16 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3hf2 h LEU 155 CO -0.21 1.31 -0.66 0.00 -0.34 0.00 0.00 178.44 178.55 3hf2 h GLY 157 N 1.49 0.14 -3.03 0.00 0.00 -1.22 -3.19 103.07 97.26 3hf2 h GLY 157 Ca -0.01 -0.36 -0.18 0.00 0.00 0.00 0.00 47.33 46.78 3hf2 h GLY 157 CO 0.10 0.31 -0.99 1.97 0.00 0.00 0.00 176.54 177.93 3hf2 n PHE 158 N -4.30 0.04 -4.06 5.60 -1.74 -0.87 -0.58 117.46 111.56 3hf2 n PHE 158 Ca -0.19 -0.57 -0.32 0.00 -0.56 0.00 0.00 57.45 55.81 3hf2 n PHE 158 Cb 0.70 -0.10 -0.00 0.00 1.52 0.00 0.00 39.48 41.59 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 0.42 -3.46 -4.09 5.98 4.05 -0.86 -4.93 115.26 112.37 3hf2 n ASN 159 Ca 0.04 -0.91 -0.27 0.00 0.45 0.00 0.00 54.58 53.88 3hf2 n ASN 159 Cb 1.11 -3.28 -0.17 0.00 1.23 0.00 0.00 39.78 38.67 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 -3.38 1.81 -0.40 1.20 5.04 -0.81 -4.95 117.35 115.86 3hf2 s TYR 160 Ca 0.60 -0.69 -0.15 0.00 -2.44 0.00 0.00 57.07 54.38 3hf2 s TYR 160 Cb -0.32 -1.27 0.02 0.00 0.35 0.00 0.00 41.96 40.74 3hf2 s TYR 160 CO 0.88 -0.31 0.33 1.03 -1.34 0.00 0.00 175.55 176.14 3hf2 s ARG 161 N 0.53 3.08 0.47 4.97 0.52 -1.26 -2.56 118.95 124.70 3hf2 s ARG 161 Ca -0.15 -0.89 0.28 0.00 -0.52 0.00 0.00 55.73 54.44 3hf2 s ARG 161 Cb -0.16 -3.95 0.82 0.00 0.52 0.00 0.00 34.95 32.17 3hf2 s ARG 161 CO 0.05 -0.73 1.78 0.74 0.02 0.00 0.00 175.30 177.16 3hf2 h PHE 162 N 8.63 0.00 -6.52 -0.53 0.04 -1.91 -3.48 116.94 113.18 3hf2 h PHE 162 Ca -0.27 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 59.99 3hf2 h PHE 162 Cb 1.12 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.17 3hf2 h PHE 162 CO 0.59 0.00 -0.83 0.09 -0.60 0.00 0.00 178.31 177.55 3hf2 n ASN 163 N -3.03 -2.59 0.25 2.17 3.02 -1.26 -4.86 115.26 108.96 3hf2 n ASN 163 Ca 0.03 -0.94 0.08 0.00 -0.03 0.00 0.00 54.58 53.71 3hf2 n ASN 163 Cb 0.42 -3.20 0.63 0.00 -0.61 0.00 0.00 39.78 37.02 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 -1.77 0.00 0.49 6.41 0.02 -1.92 -1.58 113.55 115.19 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 0.69 0.06 0.00 0.49 -1.14 0.00 0.00 176.83 176.93 3hf2 n PHE 165 N -4.37 0.00 -0.26 3.45 3.72 -1.26 -2.63 117.46 116.11 3hf2 n PHE 165 Ca -0.03 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.48 3hf2 n PHE 165 Cb 0.14 -0.29 0.28 0.00 -0.94 0.00 0.00 39.48 38.67 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 -1.29 0.83 -3.92 1.38 4.01 -0.60 -4.98 117.16 112.59 3hf2 n TYR 166 Ca 0.12 -0.47 -0.10 0.00 -0.16 0.00 0.00 57.90 57.29 3hf2 n TYR 166 Cb 0.20 -0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 39.13 3hf2 n TYR 166 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 3hf2 s ARG 167 N -1.05 0.46 -0.17 -0.72 1.70 -1.08 -5.04 118.95 113.06 3hf2 s ARG 167 Ca 0.43 -0.56 -0.14 0.00 -0.47 0.00 0.00 55.73 54.99 3hf2 s ARG 167 Cb 0.23 0.18 -0.08 0.00 -0.57 0.00 0.00 34.95 34.70 3hf2 s ARG 167 CO 0.30 -0.10 -0.10 -0.25 -1.08 0.00 0.00 175.30 174.07 3hf2 n ASP 168 N 1.31 1.84 -4.76 -2.89 9.92 -1.26 -4.98 116.55 115.73 3hf2 n ASP 168 Ca -0.22 0.54 -0.40 0.00 -0.53 0.00 0.00 54.79 54.18 3hf2 n ASP 168 Cb 0.56 -0.88 -0.05 0.00 -0.64 0.00 0.00 41.12 40.10 3hf2 n ASP 168 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hf2 s GLN 169 N -2.35 4.52 0.99 -1.24 0.00 -1.26 -5.07 119.66 115.25 3hf2 s GLN 169 Ca -0.21 1.10 -0.16 0.00 -0.00 0.00 0.00 55.36 56.09 3hf2 s GLN 169 Cb 0.04 -3.31 0.21 0.00 0.00 0.00 0.00 33.01 29.94 3hf2 s GLN 169 CO 0.35 0.43 1.29 -1.25 0.00 0.00 0.00 175.29 176.11 3hf2 s PRO 170 N -0.58 0.45 0.15 9.60 0.04 -1.26 -5.12 135.00 138.27 3hf2 s PRO 170 Ca 0.37 -0.34 -0.15 0.00 0.04 0.00 0.00 61.00 60.92 3hf2 s PRO 170 Cb -0.22 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.53 3hf2 s PRO 170 CO 0.24 -2.56 1.72 1.25 0.04 0.00 0.00 177.00 177.70 3hf2 h HIS 171 N -1.75 0.68 0.00 0.56 2.76 -1.97 -3.53 115.15 111.90 3hf2 h HIS 171 Ca -0.45 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 3hf2 h HIS 171 Cb 1.25 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.00 3hf2 h HIS 171 CO -1.22 0.56 0.00 0.43 -1.30 0.00 0.00 177.93 176.40 3hf2 n SER 176 N -4.62 0.00 -0.04 3.26 7.64 -1.26 -5.22 113.62 113.38 3hf2 n SER 176 Ca 0.01 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.79 3hf2 n SER 176 Cb 0.13 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.29 3hf2 n SER 176 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3hf2 h MET 177 N 0.00 0.25 -0.24 1.43 1.85 -1.99 0.34 114.93 116.56 3hf2 h MET 177 Ca 0.00 -0.02 -0.07 0.00 -0.61 0.00 0.00 59.70 59.00 3hf2 h MET 177 Cb 0.00 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 31.96 3hf2 h MET 177 CO 0.00 0.20 -0.16 -0.24 -0.40 0.00 0.00 176.91 176.32 3hf2 h VAL 178 N 0.22 1.23 -0.14 -5.77 3.04 -2.01 0.11 116.25 112.92 3hf2 h VAL 178 Ca 0.06 -1.02 -0.12 0.00 -1.01 0.00 0.00 66.70 64.62 3hf2 h VAL 178 Cb 0.02 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 30.51 3hf2 h VAL 178 CO -0.01 0.33 -0.43 -0.09 -1.01 0.00 0.00 177.57 176.36 3hf2 h ARG 179 N 0.38 0.33 -0.46 4.17 2.43 -1.93 -1.61 114.38 117.69 3hf2 h ARG 179 Ca 0.07 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 3hf2 h ARG 179 Cb 0.50 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3hf2 h ARG 179 CO 0.03 0.70 -0.06 0.00 -1.51 0.00 0.00 179.97 179.13 3hf2 h ALA 180 N 1.28 0.62 -0.64 2.80 0.00 0.20 -2.98 119.26 120.55 3hf2 h ALA 180 Ca 0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3hf2 h ALA 180 Cb 0.86 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3hf2 h ALA 180 CO 0.07 0.47 0.27 -0.07 0.00 0.00 0.00 179.25 179.99 3hf2 h LEU 181 N 0.69 0.86 -0.46 0.00 3.38 -0.84 -2.60 115.31 116.33 3hf2 h LEU 181 Ca 0.12 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3hf2 h LEU 181 Cb 0.59 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3hf2 h LEU 181 CO 0.04 0.79 -0.01 -0.78 0.09 0.00 0.00 178.44 178.56 3hf2 h ASP 182 N 0.89 0.82 -0.39 -0.43 3.58 -1.32 -1.28 116.42 118.29 3hf2 h ASP 182 Ca 0.21 -0.32 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 3hf2 h ASP 182 Cb 0.18 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 3hf2 h ASP 182 CO -0.02 0.93 0.22 -0.08 -2.88 0.00 0.00 179.24 177.41 3hf2 h GLU 183 N 0.68 0.55 -0.65 0.28 4.57 -1.50 -2.18 114.58 116.32 3hf2 h GLU 183 Ca 0.13 -0.07 0.06 0.00 -1.18 0.00 0.00 59.36 58.30 3hf2 h GLU 183 Cb 0.52 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.95 3hf2 h GLU 183 CO 0.03 0.45 0.36 0.00 -1.18 0.00 0.00 179.01 178.66 3hf2 h ALA 184 N 1.07 0.87 -0.19 2.92 0.00 -1.33 -3.52 119.26 119.08 3hf2 h ALA 184 Ca 0.14 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3hf2 h ALA 184 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hf2 h ALA 184 CO -0.02 0.03 0.32 1.98 0.00 0.00 0.00 179.25 181.56 3hf2 h MET 185 N 0.66 0.00 0.00 0.00 1.85 -0.56 -3.48 114.93 113.40 3hf2 h MET 185 Ca 0.29 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.38 3hf2 h MET 185 Cb 0.19 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.22 3hf2 h MET 185 CO -0.18 0.00 0.00 -1.91 -0.40 0.00 0.00 176.91 174.42 3hf2 n GLU 200 N -3.41 0.00 -0.30 0.39 4.07 -1.26 -4.98 120.64 115.14 3hf2 n GLU 200 Ca 0.02 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.11 3hf2 n GLU 200 Cb 0.43 0.00 0.12 0.00 -0.06 0.00 0.00 31.44 31.93 3hf2 n GLU 200 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 3hf2 h ASN 201 N 0.00 0.85 -0.18 4.31 2.35 -2.05 -1.42 115.58 119.44 3hf2 h ASN 201 Ca 0.00 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3hf2 h ASN 201 Cb 0.00 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3hf2 h ASN 201 CO 0.00 0.56 0.09 0.11 -1.65 0.00 0.00 177.43 176.54 3hf2 h LYS 202 N 0.99 0.26 -0.83 0.81 1.57 -2.03 -1.37 116.57 115.96 3hf2 h LYS 202 Ca 0.35 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3hf2 h LYS 202 Cb 0.09 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 3hf2 h LYS 202 CO -0.14 0.29 0.53 -0.09 -0.57 0.00 0.00 179.45 179.46 3hf2 h ARG 203 N 0.16 1.11 0.44 3.15 2.43 -1.94 -0.81 114.38 118.92 3hf2 h ARG 203 Ca 0.06 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3hf2 h ARG 203 Cb 0.12 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3hf2 h ARG 203 CO -0.01 0.75 -0.21 0.37 -1.51 0.00 0.00 179.97 179.36 3hf2 h GLN 204 N 1.13 -0.57 -0.59 0.20 5.75 -1.23 -1.75 115.11 118.05 3hf2 h GLN 204 Ca 0.30 0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.94 3hf2 h GLN 204 Cb -0.09 0.13 -0.11 0.00 1.07 0.00 0.00 27.48 28.48 3hf2 h GLN 204 CO -0.06 -0.28 -0.40 0.35 -2.65 0.00 0.00 178.83 175.78 3hf2 h PHE 205 N -0.81 -1.16 -0.95 3.99 3.57 -1.15 0.27 116.94 120.71 3hf2 h PHE 205 Ca -0.06 0.08 0.10 0.00 3.53 0.00 0.00 57.97 61.62 3hf2 h PHE 205 Cb 0.55 0.59 -0.08 0.00 2.79 0.00 0.00 35.95 39.80 3hf2 h PHE 205 CO -0.00 -0.41 0.58 1.96 -2.23 0.00 0.00 178.31 178.21 3hf2 h GLN 206 N -0.20 0.92 -0.49 1.11 1.08 -1.13 -0.06 115.11 116.34 3hf2 h GLN 206 Ca 0.20 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.31 3hf2 h GLN 206 Cb 0.56 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 3hf2 h GLN 206 CO -0.69 0.61 0.16 1.49 -0.95 0.00 0.00 178.83 179.44 3hf2 h GLU 207 N 0.95 0.76 -0.41 1.46 4.81 -0.13 -1.88 114.58 120.14 3hf2 h GLU 207 Ca 0.46 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 3hf2 h GLU 207 Cb 0.41 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3hf2 h GLU 207 CO -0.25 0.71 0.23 -0.44 -0.73 0.00 0.00 179.01 178.53 3hf2 h ASP 208 N 0.65 0.51 -0.55 1.04 3.32 0.31 -1.06 116.42 120.65 3hf2 h ASP 208 Ca 0.16 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.15 3hf2 h ASP 208 Cb 0.27 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 3hf2 h ASP 208 CO -0.01 0.45 0.33 0.40 -1.72 0.00 0.00 179.24 178.69 3hf2 h ILE 209 N 0.54 1.05 -0.15 0.35 2.04 -0.91 -2.28 117.51 118.15 3hf2 h ILE 209 Ca 0.15 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3hf2 h ILE 209 Cb 0.05 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3hf2 h ILE 209 CO -0.02 0.12 0.10 0.50 0.00 0.00 0.00 178.15 178.84 3hf2 h LYS 210 N 0.64 0.20 -0.44 2.37 3.64 -1.08 -1.00 116.57 120.90 3hf2 h LYS 210 Ca 0.22 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.65 3hf2 h LYS 210 Cb 0.03 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 3hf2 h LYS 210 CO -0.10 0.14 0.13 0.28 -2.27 0.00 0.00 179.45 177.63 3hf2 h VAL 211 N 0.19 0.82 -0.15 2.00 2.07 -0.89 -0.37 116.25 119.92 3hf2 h VAL 211 Ca 0.05 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.50 3hf2 h VAL 211 Cb -0.01 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3hf2 h VAL 211 CO -0.01 0.05 0.02 0.24 0.02 0.00 0.00 177.57 177.89 3hf2 h MET 212 N 0.28 0.08 0.20 1.57 2.86 -1.23 -2.90 114.93 115.79 3hf2 h MET 212 Ca 0.21 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 3hf2 h MET 212 Cb 0.23 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3hf2 h MET 212 CO -0.24 0.05 -0.10 -0.91 1.06 0.00 0.00 176.91 176.77 3hf2 h ASN 213 N 0.08 -0.23 0.73 1.22 4.21 -0.40 -2.04 115.58 119.14 3hf2 h ASN 213 Ca 0.07 0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.55 3hf2 h ASN 213 Cb 0.06 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 3hf2 h ASN 213 CO -0.09 -0.16 -0.40 0.44 -1.29 0.00 0.00 177.43 175.92 3hf2 h ASP 214 N -0.28 -0.99 -0.32 5.81 3.32 -1.12 0.26 116.42 123.09 3hf2 h ASP 214 Ca -0.03 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.10 3hf2 h ASP 214 Cb 0.21 0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 3hf2 h ASP 214 CO 0.05 -0.65 -0.21 0.25 -1.72 0.00 0.00 179.24 176.95 3hf2 h LEU 215 N -1.05 -0.77 -0.04 1.55 5.85 -1.54 0.77 115.31 120.09 3hf2 h LEU 215 Ca -0.10 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3hf2 h LEU 215 Cb 0.83 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 3hf2 h LEU 215 CO 0.12 -0.10 -0.27 0.58 -0.34 0.00 0.00 178.44 178.44 3hf2 h VAL 216 N -0.03 0.38 -0.77 1.05 2.07 -1.34 0.42 116.25 118.03 3hf2 h VAL 216 Ca 0.05 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.66 3hf2 h VAL 216 Cb 0.16 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 3hf2 h VAL 216 CO -0.32 0.00 0.50 0.44 0.02 0.00 0.00 177.57 178.22 3hf2 h ASP 217 N -0.40 0.64 -0.23 0.57 3.32 0.05 0.16 116.42 120.54 3hf2 h ASP 217 Ca 0.07 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3hf2 h ASP 217 Cb 0.50 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3hf2 h ASP 217 CO -0.26 0.38 0.01 0.50 -1.72 0.00 0.00 179.24 178.15 3hf2 h LYS 218 N 0.71 0.40 -0.93 3.56 1.63 0.16 -0.49 116.57 121.61 3hf2 h LYS 218 Ca 0.35 -0.12 0.08 0.00 -0.85 0.00 0.00 60.65 60.11 3hf2 h LYS 218 Cb 0.43 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.95 3hf2 h LYS 218 CO -0.13 0.57 0.58 0.82 -3.45 0.00 0.00 179.45 177.84 3hf2 h ILE 219 N 0.18 1.00 0.42 2.00 1.08 0.16 -1.07 117.51 121.29 3hf2 h ILE 219 Ca 0.07 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 64.17 3hf2 h ILE 219 Cb 0.39 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.05 3hf2 h ILE 219 CO 0.01 0.18 -0.20 0.40 -0.69 0.00 0.00 178.15 177.85 3hf2 h ILE 220 N 1.00 0.45 -0.60 -0.67 2.04 -0.52 -2.98 117.51 116.22 3hf2 h ILE 220 Ca 0.42 -0.54 0.12 0.00 1.00 0.00 0.00 64.86 65.87 3hf2 h ILE 220 Cb 0.28 0.65 -0.11 0.00 -0.74 0.00 0.00 36.82 36.90 3hf2 h ILE 220 CO -0.21 0.08 -0.09 0.00 0.00 0.00 0.00 178.15 177.93 3hf2 h ALA 221 N -0.59 0.47 -0.82 1.87 0.00 -1.02 -2.66 119.26 116.51 3hf2 h ALA 221 Ca -0.06 0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3hf2 h ALA 221 Cb 0.56 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3hf2 h ALA 221 CO 0.10 -0.42 0.53 -0.44 0.00 0.00 0.00 179.25 179.02 3hf2 h ASP 222 N 0.04 0.77 -3.86 0.00 3.32 -1.18 -3.51 116.42 111.99 3hf2 h ASP 222 Ca 0.30 0.01 -0.44 0.00 0.02 0.00 0.00 57.03 56.91 3hf2 h ASP 222 Cb 0.47 -0.16 0.16 0.00 0.22 0.00 0.00 39.33 40.03 3hf2 h ASP 222 CO -0.58 0.49 0.22 -0.60 -1.72 0.00 0.00 179.24 177.05 3hf2 s ARG 223 N -5.78 0.10 0.00 3.56 6.06 -1.01 -5.11 118.95 116.78 3hf2 s ARG 223 Ca -0.10 0.20 0.00 0.00 -2.50 0.00 0.00 55.73 53.33 3hf2 s ARG 223 Cb 0.20 -1.73 0.00 0.00 0.06 0.00 0.00 34.95 33.48 3hf2 s ARG 223 CO 0.79 -2.88 0.00 1.04 -2.50 0.00 0.00 175.30 171.74 3hf2 n GLN 229 N -4.22 0.00 -4.36 5.12 3.00 -1.26 -5.00 117.38 110.66 3hf2 n GLN 229 Ca 0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.89 3hf2 n GLN 229 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.72 3hf2 n GLN 229 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3hf2 s SER 230 N -1.44 2.42 -1.20 1.08 0.15 -1.26 -5.07 113.70 108.38 3hf2 s SER 230 Ca 0.00 -1.11 -0.04 0.00 0.70 0.00 0.00 55.95 55.50 3hf2 s SER 230 Cb 0.00 -0.11 0.21 0.00 -1.71 0.00 0.00 66.02 64.41 3hf2 s SER 230 CO 0.00 -0.30 2.05 -0.90 1.20 0.00 0.00 173.24 175.29 3hf2 n ASP 231 N -0.43 7.31 -3.57 5.45 3.85 -1.26 -4.76 116.55 123.14 3hf2 n ASP 231 Ca -0.07 -3.35 -0.14 0.00 -0.71 0.00 0.00 54.79 50.53 3hf2 n ASP 231 Cb 0.62 -1.30 -0.06 0.00 -1.35 0.00 0.00 41.12 39.03 3hf2 n ASP 231 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.20 177.70 3hf2 s ASP 232 N -0.36 0.71 0.28 -1.12 1.47 -1.26 -4.65 116.67 111.74 3hf2 s ASP 232 Ca 0.45 -1.41 0.03 0.00 1.18 0.00 0.00 52.55 52.79 3hf2 s ASP 232 Cb 0.16 0.58 0.42 0.00 -0.34 0.00 0.00 42.92 43.74 3hf2 s ASP 232 CO -0.07 -1.15 1.73 -0.07 0.68 0.00 0.00 175.17 176.28 3hf2 h LEU 233 N 2.23 0.48 -1.20 2.11 3.38 -1.30 -2.98 115.31 118.04 3hf2 h LEU 233 Ca -0.29 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 3hf2 h LEU 233 Cb 1.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3hf2 h LEU 233 CO 0.40 0.72 0.19 0.25 0.09 0.00 0.00 178.44 180.09 3hf2 h LEU 234 N 0.43 0.68 0.46 1.67 5.85 -1.16 -2.58 115.31 120.65 3hf2 h LEU 234 Ca 0.06 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3hf2 h LEU 234 Cb 0.66 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3hf2 h LEU 234 CO 0.05 0.63 -0.22 0.74 -0.34 0.00 0.00 178.44 179.30 3hf2 h THR 235 N 0.74 0.49 -1.04 1.05 2.02 -1.79 0.02 112.91 114.39 3hf2 h THR 235 Ca 0.17 -0.37 0.27 0.00 0.77 0.00 0.00 66.41 67.26 3hf2 h THR 235 Cb 0.18 0.65 -0.09 0.00 -1.74 0.00 0.00 68.15 67.15 3hf2 h THR 235 CO -0.01 0.06 0.68 0.45 0.37 0.00 0.00 175.52 177.07 3hf2 h HIS 236 N -0.85 0.56 -0.03 3.16 3.86 -1.50 0.14 115.15 120.49 3hf2 h HIS 236 Ca -0.06 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.01 3hf2 h HIS 236 Cb 0.57 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 3hf2 h HIS 236 CO 0.00 0.06 -0.70 0.52 0.86 0.00 0.00 177.93 178.67 3hf2 h MET 237 N 0.34 0.17 0.18 2.45 2.07 -1.09 0.06 114.93 119.11 3hf2 h MET 237 Ca 0.58 -0.14 -0.24 0.00 -2.07 0.00 0.00 59.70 57.82 3hf2 h MET 237 Cb 1.57 0.03 0.03 0.00 -1.87 0.00 0.00 31.60 31.35 3hf2 h MET 237 CO -0.25 0.80 -1.08 -0.07 1.07 0.00 0.00 176.91 177.39 3hf2 h LEU 238 N 0.12 0.59 -2.20 1.22 3.38 0.12 -3.37 115.31 115.17 3hf2 h LEU 238 Ca -0.02 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.01 3hf2 h LEU 238 Cb 1.25 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3hf2 h LEU 238 CO 0.10 1.52 0.00 0.59 0.09 0.00 0.00 178.44 180.74 3hf2 n ASN 239 N -3.98 3.21 -4.62 -0.43 3.02 -0.09 -4.98 115.26 107.39 3hf2 n ASN 239 Ca -0.16 -1.99 -0.34 0.00 -0.03 0.00 0.00 54.58 52.06 3hf2 n ASN 239 Cb 0.92 -0.38 -0.10 0.00 -0.61 0.00 0.00 39.78 39.61 3hf2 n ASN 239 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hf2 s GLY 240 N -1.08 1.79 -0.04 7.41 0.00 0.01 -5.01 107.32 110.39 3hf2 s GLY 240 Ca 0.40 -0.83 0.04 0.00 0.00 0.00 0.00 44.72 44.33 3hf2 s GLY 240 CO 0.28 -0.50 -0.13 0.54 0.00 0.00 0.00 173.10 173.29 3hf2 s LYS 241 N -0.63 2.50 -0.13 2.90 1.02 -1.26 -4.29 119.74 119.84 3hf2 s LYS 241 Ca 0.10 -0.70 -0.29 0.00 0.02 0.00 0.00 55.97 55.09 3hf2 s LYS 241 Cb -0.12 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.75 3hf2 s LYS 241 CO 0.02 0.62 1.66 0.34 -0.92 0.00 0.00 175.35 177.07 3hf2 s ASP 242 N -0.84 6.50 0.57 2.83 2.15 -0.18 -4.82 116.67 122.88 3hf2 s ASP 242 Ca 0.12 1.96 0.27 0.00 0.43 0.00 0.00 52.55 55.33 3hf2 s ASP 242 Cb -0.11 -2.53 1.59 0.00 -0.30 0.00 0.00 42.92 41.57 3hf2 s ASP 242 CO 0.01 -1.10 2.11 -0.65 -0.17 0.00 0.00 175.17 175.37 3hf2 h PRO 243 N 10.23 0.00 0.17 4.34 0.11 -1.91 0.65 132.00 145.60 3hf2 h PRO 243 Ca -0.37 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3hf2 h PRO 243 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hf2 h PRO 243 CO 0.97 0.00 -0.08 1.49 -0.21 0.00 0.00 178.00 180.17 3hf2 h GLU 244 N 0.00 -0.22 0.00 1.05 4.81 -1.96 -3.36 114.58 114.90 3hf2 h GLU 244 Ca 0.09 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3hf2 h GLU 244 Cb 0.45 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3hf2 h GLU 244 CO -0.00 0.19 -1.22 0.25 -0.73 0.00 0.00 179.01 177.50 3hf2 n THR 245 N -4.93 0.04 -0.93 0.32 -2.24 -1.13 -4.96 114.28 100.44 3hf2 n THR 245 Ca -0.08 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3hf2 n THR 245 Cb 0.26 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 3hf2 n THR 245 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hf2 n GLY 246 N 1.41 0.37 3.88 3.38 0.00 0.22 -5.00 105.19 109.46 3hf2 n GLY 246 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.73 3.58 0.77 1.61 2.02 -1.25 -4.69 118.70 120.02 3hf2 s GLU 247 Ca 0.00 -0.04 -0.09 0.00 0.02 0.00 0.00 54.97 54.85 3hf2 s GLU 247 Cb 0.00 -3.11 0.09 0.00 0.10 0.00 0.00 34.13 31.20 3hf2 s GLU 247 CO 0.00 0.68 1.11 -1.25 0.02 0.00 0.00 175.26 175.82 3hf2 s PRO 248 N -1.56 1.92 0.16 0.39 0.04 -1.26 -1.01 135.00 133.67 3hf2 s PRO 248 Ca 0.25 -0.16 -0.30 0.00 0.04 0.00 0.00 61.00 60.83 3hf2 s PRO 248 Cb -0.13 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 3hf2 s PRO 248 CO 0.14 -1.51 1.00 -0.51 0.04 0.00 0.00 177.00 176.16 3hf2 s LEU 249 N -5.44 4.52 0.83 -3.56 1.43 -1.26 -4.95 118.68 110.25 3hf2 s LEU 249 Ca 0.63 1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 55.54 3hf2 s LEU 249 Cb -0.10 -3.60 0.09 0.00 0.03 0.00 0.00 46.19 42.61 3hf2 s LEU 249 CO 0.47 -0.08 1.09 1.51 0.23 0.00 0.00 176.35 179.58 3hf2 s ASP 250 N -0.26 4.07 0.48 2.29 1.47 -1.26 -4.83 116.67 118.63 3hf2 s ASP 250 Ca 0.47 1.50 0.17 0.00 1.18 0.00 0.00 52.55 55.86 3hf2 s ASP 250 Cb -0.26 -2.22 1.16 0.00 -0.34 0.00 0.00 42.92 41.27 3hf2 s ASP 250 CO 0.32 -2.26 2.03 0.44 0.68 0.00 0.00 175.17 176.38 3hf2 h ASP 251 N -1.29 0.20 0.07 2.11 3.32 -1.98 -1.54 116.42 117.31 3hf2 h ASP 251 Ca -0.47 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 3hf2 h ASP 251 Cb 1.26 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3hf2 h ASP 251 CO 0.55 0.12 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.09 3hf2 h GLU 252 N 0.22 -0.09 0.00 3.56 4.81 -2.00 -1.99 114.58 119.09 3hf2 h GLU 252 Ca 0.19 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3hf2 h GLU 252 Cb 0.46 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 3hf2 h GLU 252 CO -0.03 0.26 -0.15 -0.97 -0.73 0.00 0.00 179.01 177.38 3hf2 h ASN 253 N -0.45 0.00 -0.34 1.04 -0.73 -1.86 -1.97 115.58 111.28 3hf2 h ASN 253 Ca -0.01 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 3hf2 h ASN 253 Cb 0.39 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.96 3hf2 h ASN 253 CO 0.02 0.15 0.16 0.40 -0.37 0.00 0.00 177.43 177.79 3hf2 h ILE 254 N 0.00 1.17 -0.59 2.57 2.04 -1.04 0.18 117.51 121.84 3hf2 h ILE 254 Ca -0.00 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3hf2 h ILE 254 Cb 0.31 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3hf2 h ILE 254 CO 0.02 0.18 0.28 -0.09 0.00 0.00 0.00 178.15 178.54 3hf2 h ARG 255 N 0.41 0.85 -0.85 2.37 2.43 -0.94 0.10 114.38 118.75 3hf2 h ARG 255 Ca 0.12 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3hf2 h ARG 255 Cb 0.14 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 3hf2 h ARG 255 CO -0.01 0.69 0.55 1.88 -1.51 0.00 0.00 179.97 181.57 3hf2 h TYR 256 N 0.81 1.04 -0.85 2.20 0.05 -0.97 0.22 116.97 119.47 3hf2 h TYR 256 Ca 0.20 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.98 3hf2 h TYR 256 Cb 0.12 -0.35 -0.04 0.00 1.01 0.00 0.00 36.73 37.47 3hf2 h TYR 256 CO -0.00 0.61 0.43 1.96 -1.05 0.00 0.00 178.16 180.12 3hf2 h GLN 257 N 1.09 1.21 -0.29 4.88 1.08 -0.03 -0.69 115.11 122.36 3hf2 h GLN 257 Ca 0.33 -0.16 -0.07 0.00 -1.45 0.00 0.00 58.65 57.30 3hf2 h GLN 257 Cb -0.03 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.17 3hf2 h GLN 257 CO -0.10 0.91 -0.07 0.82 -0.95 0.00 0.00 178.83 179.44 3hf2 h ILE 258 N 1.20 1.28 -0.85 2.54 2.04 -0.25 -1.17 117.51 122.30 3hf2 h ILE 258 Ca 0.30 -1.10 0.09 0.00 1.00 0.00 0.00 64.86 65.14 3hf2 h ILE 258 Cb 0.08 1.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.49 3hf2 h ILE 258 CO -0.04 0.35 0.50 0.40 0.00 0.00 0.00 178.15 179.36 3hf2 h ILE 259 N 0.33 0.95 -0.63 -0.67 2.04 -0.33 -2.96 117.51 116.24 3hf2 h ILE 259 Ca 0.07 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3hf2 h ILE 259 Cb 0.55 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3hf2 h ILE 259 CO 0.03 0.16 0.29 0.74 0.00 0.00 0.00 178.15 179.37 3hf2 h THR 260 N 0.86 1.22 -0.92 -0.27 2.02 -0.52 -2.27 112.91 113.03 3hf2 h THR 260 Ca 0.40 -0.64 0.07 0.00 0.77 0.00 0.00 66.41 67.01 3hf2 h THR 260 Cb 0.32 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 3hf2 h THR 260 CO -0.23 0.26 0.60 -0.26 0.37 0.00 0.00 175.52 176.26 3hf2 h PHE 261 N 0.87 1.05 0.00 3.16 0.05 -1.06 -0.69 116.94 120.33 3hf2 h PHE 261 Ca 0.22 0.03 -0.12 0.00 3.82 0.00 0.00 57.97 61.92 3hf2 h PHE 261 Cb 0.14 -0.34 -0.02 0.00 2.00 0.00 0.00 35.95 37.73 3hf2 h PHE 261 CO 0.00 0.53 -0.56 -0.07 -0.18 0.00 0.00 178.31 178.04 3hf2 h LEU 262 N 1.02 0.00 0.00 1.54 3.38 -1.46 0.18 115.31 119.97 3hf2 h LEU 262 Ca 0.40 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.17 3hf2 h LEU 262 Cb 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3hf2 h LEU 262 CO -0.16 0.56 -1.33 0.40 0.09 0.00 0.00 178.44 178.01 3hf2 h ILE 263 N 0.00 0.78 0.00 1.22 2.04 -1.02 -3.38 117.51 117.15 3hf2 h ILE 263 Ca -0.01 -2.38 -0.30 0.00 1.00 0.00 0.00 64.86 63.17 3hf2 h ILE 263 Cb 1.04 2.28 -0.06 0.00 -0.74 0.00 0.00 36.82 39.35 3hf2 h ILE 263 CO 0.07 0.44 -2.13 0.00 0.00 0.00 0.00 178.15 176.53 3hf2 n ALA 264 N -2.41 1.59 -1.98 1.87 0.00 -0.30 -4.68 120.51 114.59 3hf2 n ALA 264 Ca -0.09 -1.01 -0.24 0.00 0.00 0.00 0.00 53.44 52.10 3hf2 n ALA 264 Cb 0.90 -0.06 0.03 0.00 0.00 0.00 0.00 19.45 20.32 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 2.16 6.36 2.03 0.00 0.00 0.63 -4.46 105.19 111.92 3hf2 n GLY 265 Ca -0.30 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.10 3hf2 n GLY 265 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3hf2 n HIS 266 N -0.73 -2.69 -0.03 1.61 -0.00 -1.25 -4.81 115.22 107.32 3hf2 n HIS 266 Ca 0.45 0.57 -0.03 0.00 -0.00 0.00 0.00 57.72 58.70 3hf2 n HIS 266 Cb 0.95 1.04 0.20 0.00 -0.00 0.00 0.00 29.99 32.17 3hf2 n HIS 266 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 3hf2 h GLU 267 N 0.00 0.60 -0.73 1.57 4.57 -1.84 -1.13 114.58 117.62 3hf2 h GLU 267 Ca 0.00 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 3hf2 h GLU 267 Cb 0.00 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 3hf2 h GLU 267 CO 0.00 0.72 0.43 1.79 -1.18 0.00 0.00 179.01 180.77 3hf2 h THR 268 N 0.54 1.21 -0.24 0.32 1.35 -1.88 -0.35 112.91 113.88 3hf2 h THR 268 Ca 0.09 -0.49 -0.16 0.00 -0.55 0.00 0.00 66.41 65.30 3hf2 h THR 268 Cb 0.56 0.21 -0.00 0.00 -1.73 0.00 0.00 68.15 67.18 3hf2 h THR 268 CO 0.04 0.23 -0.52 0.74 -0.25 0.00 0.00 175.52 175.75 3hf2 h THR 269 N 1.00 1.30 -0.05 6.82 2.02 -1.81 -1.79 112.91 120.42 3hf2 h THR 269 Ca 0.26 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.71 3hf2 h THR 269 Cb -0.02 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3hf2 h THR 269 CO -0.05 0.55 0.03 -1.28 0.37 0.00 0.00 175.52 175.14 3hf2 h SER 270 N 0.53 0.05 -0.34 4.18 0.87 -1.06 -2.02 113.55 115.76 3hf2 h SER 270 Ca 0.02 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 3hf2 h SER 270 Cb 1.08 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 3hf2 h SER 270 CO 0.11 0.05 0.18 1.23 -0.53 0.00 0.00 176.83 177.86 3hf2 h GLY 271 N 0.05 0.47 0.40 5.77 0.00 -0.96 -1.38 103.07 107.42 3hf2 h GLY 271 Ca 0.02 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.25 3hf2 h GLY 271 CO -0.00 0.11 -0.23 -2.00 0.00 0.00 0.00 176.54 174.42 3hf2 h LEU 272 N 0.37 -0.68 -1.31 3.11 5.85 -1.16 0.24 115.31 121.74 3hf2 h LEU 272 Ca 0.14 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 3hf2 h LEU 272 Cb 0.04 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3hf2 h LEU 272 CO -0.09 -0.28 0.39 -0.07 -0.34 0.00 0.00 178.44 178.04 3hf2 h LEU 273 N -0.32 0.76 -0.20 2.25 3.38 -1.25 0.30 115.31 120.22 3hf2 h LEU 273 Ca 0.08 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3hf2 h LEU 273 Cb 0.44 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hf2 h LEU 273 CO -0.25 0.58 -0.30 0.28 0.09 0.00 0.00 178.44 178.84 3hf2 h SER 274 N 0.88 0.62 -0.70 -0.43 0.02 -0.68 -0.19 113.55 113.06 3hf2 h SER 274 Ca 0.23 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 3hf2 h SER 274 Cb -0.04 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 3hf2 h SER 274 CO -0.04 1.01 0.38 -0.26 -1.14 0.00 0.00 176.83 176.78 3hf2 h PHE 275 N 0.24 0.95 -0.28 3.45 0.04 -0.27 -1.68 116.94 119.38 3hf2 h PHE 275 Ca 0.02 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3hf2 h PHE 275 Cb 0.88 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 3hf2 h PHE 275 CO 0.09 0.67 0.09 0.00 -0.60 0.00 0.00 178.31 178.56 3hf2 h ALA 276 N 1.19 0.37 -0.86 2.45 0.00 -0.27 -0.15 119.26 121.99 3hf2 h ALA 276 Ca 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hf2 h ALA 276 Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3hf2 h ALA 276 CO -0.04 -0.01 0.44 1.25 0.00 0.00 0.00 179.25 180.89 3hf2 h LEU 277 N 0.29 1.10 0.28 0.00 5.85 -0.95 -0.28 115.31 121.61 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 0.23 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3hf2 h LEU 277 CO -0.00 0.91 -0.35 0.22 -0.34 0.00 0.00 178.44 178.87 3hf2 h TYR 278 N 1.22 -0.96 -0.85 1.25 3.20 -0.91 0.16 116.97 120.07 3hf2 h TYR 278 Ca 0.30 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.24 3hf2 h TYR 278 Cb 0.08 0.38 -0.05 0.00 1.54 0.00 0.00 36.73 38.68 3hf2 h TYR 278 CO 0.01 -0.48 0.56 0.74 -1.64 0.00 0.00 178.16 177.35 3hf2 h PHE 279 N -0.68 0.98 0.04 -3.82 0.04 -0.79 -0.75 116.94 111.95 3hf2 h PHE 279 Ca -0.01 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3hf2 h PHE 279 Cb 0.64 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.47 3hf2 h PHE 279 CO -0.24 0.52 -0.02 -0.07 -0.60 0.00 0.00 178.31 177.91 3hf2 h LEU 280 N 0.97 -0.05 -1.75 1.54 3.38 -0.47 -1.46 115.31 117.47 3hf2 h LEU 280 Ca 0.36 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3hf2 h LEU 280 Cb 0.18 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hf2 h LEU 280 CO -0.13 0.03 0.00 -0.37 0.09 0.00 0.00 178.44 178.06 3hf2 h VAL 281 N -0.12 0.00 -0.00 1.22 -1.51 -0.56 -1.45 116.25 113.83 3hf2 h VAL 281 Ca -0.01 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 3hf2 h VAL 281 Cb 0.10 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 3hf2 h VAL 281 CO 0.01 0.00 -0.40 0.29 -1.23 0.00 0.00 177.57 176.24 3hf2 n LYS 282 N -2.96 0.08 -3.36 5.19 4.76 -0.33 -4.46 118.16 117.07 3hf2 n LYS 282 Ca -0.00 -0.04 -0.26 0.00 -2.87 0.00 0.00 58.31 55.14 3hf2 n LYS 282 Cb 0.23 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.83 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 -1.43 0.70 -0.15 4.39 3.02 -0.55 -5.00 115.26 116.24 3hf2 n ASN 283 Ca 0.06 -2.73 0.27 0.00 -0.03 0.00 0.00 54.58 52.15 3hf2 n ASN 283 Cb 0.33 -0.63 0.71 0.00 -0.61 0.00 0.00 39.78 39.59 3hf2 n ASN 283 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3hf2 h PRO 284 N 4.72 0.01 -0.13 3.52 0.11 -1.78 -0.11 132.00 138.34 3hf2 h PRO 284 Ca 0.16 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.11 3hf2 h PRO 284 Cb 0.85 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 3hf2 h PRO 284 CO 0.50 0.01 -0.60 0.45 -0.21 0.00 0.00 178.00 178.15 3hf2 h HIS 285 N 0.01 0.56 -0.40 0.65 3.86 -1.94 -0.65 115.15 117.23 3hf2 h HIS 285 Ca 0.39 -0.21 -0.09 0.00 -1.16 0.00 0.00 60.37 59.30 3hf2 h HIS 285 Cb 1.57 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.92 3hf2 h HIS 285 CO -0.00 0.93 -0.11 0.28 0.86 0.00 0.00 177.93 179.89 3hf2 h VAL 286 N 0.32 1.28 -0.40 2.45 2.07 -1.39 -2.44 116.25 118.15 3hf2 h VAL 286 Ca -0.00 -1.20 0.03 0.00 0.82 0.00 0.00 66.70 66.35 3hf2 h VAL 286 Cb 1.14 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 3hf2 h VAL 286 CO 0.11 0.40 0.19 0.25 0.02 0.00 0.00 177.57 178.54 3hf2 h LEU 287 N 0.60 0.27 -0.84 2.57 6.46 -1.04 -1.21 115.31 122.11 3hf2 h LEU 287 Ca 0.10 0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.81 3hf2 h LEU 287 Cb 0.63 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 3hf2 h LEU 287 CO 0.04 0.20 0.01 0.06 -0.62 0.00 0.00 178.44 178.13 3hf2 h GLN 288 N 0.39 0.88 -0.34 1.25 -0.00 -1.09 0.67 115.11 116.86 3hf2 h GLN 288 Ca 0.17 -0.24 -0.01 0.00 -0.00 0.00 0.00 58.65 58.57 3hf2 h GLN 288 Cb 0.09 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.48 27.46 3hf2 h GLN 288 CO -0.13 0.87 0.18 0.87 -0.00 0.00 0.00 178.83 180.62 3hf2 h LYS 289 N 0.82 0.48 -0.45 0.06 1.57 -1.07 -0.52 116.57 117.45 3hf2 h LYS 289 Ca 0.16 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3hf2 h LYS 289 Cb 0.47 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3hf2 h LYS 289 CO 0.02 0.42 0.11 0.00 -0.57 0.00 0.00 179.45 179.43 3hf2 h ALA 290 N 1.04 0.60 -0.19 3.86 0.00 -0.95 -1.66 119.26 121.95 3hf2 h ALA 290 Ca 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hf2 h ALA 290 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hf2 h ALA 290 CO -0.02 0.28 0.12 0.00 0.00 0.00 0.00 179.25 179.63 3hf2 h ALA 291 N 0.97 0.25 -1.01 0.00 0.00 -0.83 0.17 119.26 118.81 3hf2 h ALA 291 Ca 0.14 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3hf2 h ALA 291 Cb 0.32 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3hf2 h ALA 291 CO 0.00 -0.25 0.65 1.49 0.00 0.00 0.00 179.25 181.13 3hf2 h GLU 292 N 0.24 1.10 -0.37 0.00 4.22 -1.02 -0.91 114.58 117.85 3hf2 h GLU 292 Ca 0.07 -0.07 -0.05 0.00 0.08 0.00 0.00 59.36 59.39 3hf2 h GLU 292 Cb 0.01 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 3hf2 h GLU 292 CO -0.01 0.73 0.02 1.49 -2.18 0.00 0.00 179.01 179.06 3hf2 h GLU 293 N 1.14 0.64 -0.86 1.92 4.81 -0.75 -1.18 114.58 120.30 3hf2 h GLU 293 Ca 0.45 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 3hf2 h GLU 293 Cb 0.24 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 3hf2 h GLU 293 CO -0.20 0.74 0.46 0.00 -0.73 0.00 0.00 179.01 179.28 3hf2 h ALA 294 N 0.88 1.19 -0.12 2.92 0.00 -0.42 -0.84 119.26 122.87 3hf2 h ALA 294 Ca 0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3hf2 h ALA 294 Cb 0.43 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hf2 h ALA 294 CO 0.02 0.64 -0.12 0.00 0.00 0.00 0.00 179.25 179.79 3hf2 h ALA 295 N 1.30 0.18 -0.25 0.00 0.00 -1.05 -0.64 119.26 118.81 3hf2 h ALA 295 Ca 0.30 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hf2 h ALA 295 Cb 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hf2 h ALA 295 CO -0.05 0.04 0.05 -0.09 0.00 0.00 0.00 179.25 179.21 3hf2 h ARG 296 N -0.08 0.36 0.02 0.00 2.43 -1.08 -3.34 114.38 112.68 3hf2 h ARG 296 Ca 0.02 -0.05 -0.38 0.00 -0.81 0.00 0.00 59.98 58.77 3hf2 h ARG 296 Cb 0.65 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 3hf2 h ARG 296 CO 0.03 0.34 -2.12 0.28 -1.51 0.00 0.00 179.97 176.99 3hf2 n VAL 297 N -4.39 1.56 -1.83 0.20 0.31 -0.33 -4.64 118.33 109.21 3hf2 n VAL 297 Ca 0.01 -0.38 -0.41 0.00 -0.01 0.00 0.00 64.34 63.54 3hf2 n VAL 297 Cb 0.16 -1.79 -0.01 0.00 -0.91 0.00 0.00 33.84 31.29 3hf2 n VAL 297 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3hf2 n LEU 298 N -3.95 7.37 0.26 7.52 4.77 -0.25 -4.74 117.00 127.99 3hf2 n LEU 298 Ca -0.43 -4.42 0.15 0.00 -0.03 0.00 0.00 56.01 51.28 3hf2 n LEU 298 Cb 0.89 -1.55 0.63 0.00 -2.33 0.00 0.00 43.42 41.05 3hf2 n LEU 298 CO 0.19 1.51 0.95 -0.37 -1.33 0.00 0.00 177.39 178.33 3hf2 h VAL 299 N 3.54 0.14 -2.48 4.08 -1.51 -1.82 -3.46 116.25 114.73 3hf2 h VAL 299 Ca 0.61 -0.66 -0.53 0.00 -1.23 0.00 0.00 66.70 64.89 3hf2 h VAL 299 Cb 0.52 1.57 -0.03 0.00 -2.13 0.00 0.00 31.29 31.22 3hf2 h VAL 299 CO 1.75 0.05 -0.48 -1.81 -1.23 0.00 0.00 177.57 175.85 3hf2 s ASP 300 N -5.83 6.09 0.35 4.19 1.01 -1.26 -5.02 116.67 116.20 3hf2 s ASP 300 Ca 0.01 0.05 0.08 0.00 0.71 0.00 0.00 52.55 53.40 3hf2 s ASP 300 Cb 0.09 -1.76 0.79 0.00 1.01 0.00 0.00 42.92 43.05 3hf2 s ASP 300 CO 0.57 0.02 1.87 -0.65 0.21 0.00 0.00 175.17 177.19 3hf2 h PRO 301 N 1.95 0.71 -5.87 8.23 0.10 -1.88 -3.39 132.00 131.84 3hf2 h PRO 301 Ca -0.49 -0.04 -0.56 0.00 0.10 0.00 0.00 66.00 65.00 3hf2 h PRO 301 Cb 1.21 -0.16 -0.28 0.00 0.10 0.00 0.00 31.00 31.87 3hf2 h PRO 301 CO 0.65 0.47 -0.84 0.14 0.10 0.00 0.00 178.00 178.52 3hf2 s VAL 302 N -5.71 1.52 0.43 3.15 -7.23 -1.26 -4.62 120.40 106.68 3hf2 s VAL 302 Ca -0.10 -0.95 -0.25 0.00 -1.81 0.00 0.00 61.98 58.87 3hf2 s VAL 302 Cb 0.22 -1.29 -0.08 0.00 0.56 0.00 0.00 36.38 35.79 3hf2 s VAL 302 CO 0.79 0.32 1.28 -2.84 -0.31 0.00 0.00 175.10 174.34 3hf2 s PRO 303 N -0.74 3.84 0.46 4.82 0.02 -1.26 -5.03 135.00 137.11 3hf2 s PRO 303 Ca 0.07 2.09 -0.01 0.00 0.02 0.00 0.00 61.00 63.16 3hf2 s PRO 303 Cb -0.08 -2.64 -0.01 0.00 0.02 0.00 0.00 34.50 31.80 3hf2 s PRO 303 CO 0.00 -0.57 0.71 -1.54 -0.33 0.00 0.00 177.00 175.27 3hf2 s SER 304 N -0.89 5.89 0.17 2.53 1.04 -1.26 -4.96 113.70 116.22 3hf2 s SER 304 Ca 0.60 0.44 -0.17 0.00 0.48 0.00 0.00 55.95 57.29 3hf2 s SER 304 Cb -0.36 -1.69 0.10 0.00 0.10 0.00 0.00 66.02 64.17 3hf2 s SER 304 CO 0.46 -0.70 1.66 0.22 0.98 0.00 0.00 173.24 175.85 3hf2 h TYR 305 N 0.33 -0.30 -0.83 5.02 3.20 -1.96 -1.92 116.97 120.51 3hf2 h TYR 305 Ca -0.46 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.43 3hf2 h TYR 305 Cb 1.24 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.67 3hf2 h TYR 305 CO 0.48 -0.21 0.47 0.87 -1.64 0.00 0.00 178.16 178.13 3hf2 h LYS 306 N -0.04 1.15 -0.87 1.82 1.57 -2.00 -2.22 116.57 115.98 3hf2 h LYS 306 Ca 0.20 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3hf2 h LYS 306 Cb 0.34 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3hf2 h LYS 306 CO -0.44 0.84 0.55 1.96 -0.57 0.00 0.00 179.45 181.79 3hf2 h GLN 307 N 1.15 1.17 -0.72 3.15 4.20 -1.86 -2.32 115.11 119.87 3hf2 h GLN 307 Ca 0.29 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 3hf2 h GLN 307 Cb 0.01 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.50 3hf2 h GLN 307 CO -0.05 0.80 0.33 0.28 -0.67 0.00 0.00 178.83 179.52 3hf2 h VAL 308 N 1.19 1.24 0.00 -0.54 2.07 -0.75 -2.41 116.25 117.05 3hf2 h VAL 308 Ca 0.32 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3hf2 h VAL 308 Cb -0.09 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3hf2 h VAL 308 CO -0.06 0.29 -0.03 0.11 0.02 0.00 0.00 177.57 177.90 3hf2 h LYS 309 N 1.02 0.00 0.00 1.57 1.79 -1.12 -1.80 116.57 118.04 3hf2 h LYS 309 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 3hf2 h LYS 309 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 3hf2 h LYS 309 CO -0.03 0.03 0.00 1.04 -1.08 0.00 0.00 179.45 179.41 3hf2 n GLN 310 N -3.66 0.26 -1.40 3.15 6.02 -0.91 -4.57 117.38 116.25 3hf2 n GLN 310 Ca -0.03 0.23 -0.41 0.00 -0.01 0.00 0.00 57.00 56.78 3hf2 n GLN 310 Cb 0.12 -1.81 -0.03 0.00 1.02 0.00 0.00 30.24 29.54 3hf2 n GLN 310 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hf2 n LEU 311 N -2.26 5.69 -0.08 1.08 4.77 -0.68 -4.70 117.00 120.81 3hf2 n LEU 311 Ca 0.05 -3.55 -0.12 0.00 -0.03 0.00 0.00 56.01 52.36 3hf2 n LEU 311 Cb 0.41 -1.39 -0.05 0.00 -2.33 0.00 0.00 43.42 40.07 3hf2 n LEU 311 CO 0.29 0.51 0.68 0.50 -1.33 0.00 0.00 177.39 178.05 3hf2 h LYS 312 N 6.76 0.50 -0.49 3.23 3.64 -1.86 -2.14 116.57 126.22 3hf2 h LYS 312 Ca 0.52 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 59.60 3hf2 h LYS 312 Cb 0.60 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3hf2 h LYS 312 CO 1.89 0.75 -0.08 -0.92 -2.27 0.00 0.00 179.45 178.82 3hf2 h TYR 313 N 0.23 0.96 -0.73 1.91 3.20 -1.97 -0.98 116.97 119.59 3hf2 h TYR 313 Ca 0.06 -0.17 0.02 0.00 3.14 0.00 0.00 58.73 61.78 3hf2 h TYR 313 Cb 0.58 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 3hf2 h TYR 313 CO 0.06 0.91 0.47 0.28 -1.64 0.00 0.00 178.16 178.24 3hf2 h VAL 314 N 0.79 1.14 -0.88 1.81 2.07 -1.87 -0.05 116.25 119.26 3hf2 h VAL 314 Ca 0.14 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.39 3hf2 h VAL 314 Cb 0.59 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 3hf2 h VAL 314 CO 0.04 0.17 0.55 1.23 0.02 0.00 0.00 177.57 179.58 3hf2 h GLY 315 N 0.94 1.31 1.09 2.17 0.00 -0.83 -0.84 103.07 106.90 3hf2 h GLY 315 Ca 0.28 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 3hf2 h GLY 315 CO -0.09 0.30 0.14 -0.33 0.00 0.00 0.00 176.54 176.56 3hf2 h MET 316 N 1.03 1.12 -0.73 4.80 2.07 -0.19 -0.27 114.93 122.76 3hf2 h MET 316 Ca 0.37 -0.28 0.00 0.00 -2.07 0.00 0.00 59.70 57.72 3hf2 h MET 316 Cb 0.12 -0.14 -0.04 0.00 -1.87 0.00 0.00 31.60 29.68 3hf2 h MET 316 CO -0.16 1.00 0.47 0.28 1.07 0.00 0.00 176.91 179.58 3hf2 h VAL 317 N 1.06 1.20 -0.40 -2.22 2.07 -0.50 -1.81 116.25 115.65 3hf2 h VAL 317 Ca 0.21 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.21 3hf2 h VAL 317 Cb 0.40 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3hf2 h VAL 317 CO 0.01 0.19 -0.30 -0.07 0.02 0.00 0.00 177.57 177.42 3hf2 h LEU 318 N 1.00 0.95 -1.25 2.57 3.38 -0.80 -1.33 115.31 119.83 3hf2 h LEU 318 Ca 0.27 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3hf2 h LEU 318 Cb -0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 3hf2 h LEU 318 CO -0.06 1.19 0.06 0.78 0.09 0.00 0.00 178.44 180.51 3hf2 h ASN 319 N 0.72 0.53 0.48 -0.43 -0.26 -0.81 -0.69 115.58 115.12 3hf2 h ASN 319 Ca 0.08 -0.09 -0.19 0.00 -0.56 0.00 0.00 56.30 55.54 3hf2 h ASN 319 Cb 0.88 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 3hf2 h ASN 319 CO 0.08 0.56 -0.83 -0.08 -1.06 0.00 0.00 177.43 176.10 3hf2 h GLU 320 N 0.56 0.25 -0.41 0.81 4.57 -1.22 0.20 114.58 119.35 3hf2 h GLU 320 Ca 0.13 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 58.02 3hf2 h GLU 320 Cb 0.26 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 3hf2 h GLU 320 CO 0.00 0.95 0.10 0.00 -1.18 0.00 0.00 179.01 178.88 3hf2 h ALA 321 N 0.97 0.54 -0.01 2.92 0.00 -0.86 -2.23 119.26 120.60 3hf2 h ALA 321 Ca -0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3hf2 h ALA 321 Cb 1.44 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3hf2 h ALA 321 CO 0.13 0.21 -0.21 -0.07 0.00 0.00 0.00 179.25 179.31 3hf2 h LEU 322 N 0.52 0.01 -0.07 0.00 3.38 -0.84 -0.34 115.31 117.97 3hf2 h LEU 322 Ca 0.13 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3hf2 h LEU 322 Cb 0.30 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hf2 h LEU 322 CO 0.00 0.22 -0.03 -0.09 0.09 0.00 0.00 178.44 178.63 3hf2 h ARG 323 N 0.01 0.14 -0.06 1.13 2.43 -0.03 -2.47 114.38 115.52 3hf2 h ARG 323 Ca -0.00 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 3hf2 h ARG 323 Cb 0.38 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3hf2 h ARG 323 CO 0.03 0.51 -0.22 -0.07 -1.51 0.00 0.00 179.97 178.71 3hf2 h LEU 324 N -0.24 0.30 -5.80 3.80 3.38 -1.37 -3.40 115.31 111.99 3hf2 h LEU 324 Ca 0.02 -0.62 -0.56 0.00 0.09 0.00 0.00 57.88 56.80 3hf2 h LEU 324 Cb 0.46 -0.09 -0.41 0.00 0.09 0.00 0.00 40.66 40.72 3hf2 h LEU 324 CO 0.01 0.87 -0.83 0.79 0.09 0.00 0.00 178.44 179.37 3hf2 n TRP 325 N -4.53 2.35 -1.68 1.13 7.02 -0.15 -4.86 117.44 116.73 3hf2 n TRP 325 Ca -0.08 -3.93 -0.44 0.00 -1.02 0.00 0.00 57.50 52.04 3hf2 n TRP 325 Cb 0.44 -0.47 -0.03 0.00 -2.42 0.00 0.00 31.31 28.83 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 0.42 2.66 0.07 -0.99 -0.04 -0.93 -4.65 135.00 131.53 3hf2 n PRO 326 Ca 0.28 0.97 0.13 0.00 -0.04 0.00 0.00 63.50 64.83 3hf2 n PRO 326 Cb 0.48 -2.86 0.30 0.00 -0.04 0.00 0.00 33.50 31.38 3hf2 n PRO 326 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3hf2 n THR 327 N 4.93 0.41 -3.62 0.52 -2.24 -1.26 -3.08 114.28 109.93 3hf2 n THR 327 Ca 0.19 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 3hf2 n THR 327 Cb 0.36 -0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.20 3hf2 n THR 327 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hf2 s ALA 328 N -3.12 3.95 -0.99 6.98 0.00 -1.26 -1.66 121.76 125.66 3hf2 s ALA 328 Ca 0.09 -3.51 0.28 0.00 0.00 0.00 0.00 51.96 48.82 3hf2 s ALA 328 Cb 0.14 -2.89 1.11 0.00 0.00 0.00 0.00 23.12 21.48 3hf2 s ALA 328 CO 0.65 -2.16 1.84 -0.35 0.00 0.00 0.00 175.76 175.75 3hf2 n PRO 329 N 3.10 0.01 -4.15 0.00 -0.04 -1.18 -4.79 135.00 127.95 3hf2 n PRO 329 Ca 0.14 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.45 3hf2 n PRO 329 Cb 0.39 -1.51 -0.12 0.00 -0.04 0.00 0.00 33.50 32.22 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 -3.00 0.71 0.08 0.55 0.00 -1.26 -1.00 121.76 117.83 3hf2 s ALA 330 Ca 0.13 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.42 3hf2 s ALA 330 Cb 0.19 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 3hf2 s ALA 330 CO 0.56 0.07 -0.06 -0.59 0.00 0.00 0.00 175.76 175.74 3hf2 s PHE 331 N -1.00 0.79 0.12 0.00 -0.71 -1.10 -5.01 117.98 111.08 3hf2 s PHE 331 Ca -0.05 -0.94 0.10 0.00 -1.04 0.00 0.00 56.93 55.01 3hf2 s PHE 331 Cb -0.08 -0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 41.21 3hf2 s PHE 331 CO 0.01 -0.20 -0.22 0.45 -1.34 0.00 0.00 175.22 173.91 3hf2 s SER 332 N -2.96 3.63 0.06 1.98 0.15 -1.26 -0.93 113.70 114.36 3hf2 s SER 332 Ca 0.10 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.11 3hf2 s SER 332 Cb 0.05 -0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 63.92 3hf2 s SER 332 CO -0.06 0.18 -0.04 -0.76 1.20 0.00 0.00 173.24 173.76 3hf2 s LEU 333 N -2.07 2.47 0.09 3.45 1.43 0.17 -1.17 118.68 123.05 3hf2 s LEU 333 Ca 0.16 -0.94 0.08 0.00 -1.03 0.00 0.00 54.13 52.40 3hf2 s LEU 333 Cb -0.10 0.08 -0.03 0.00 0.03 0.00 0.00 46.19 46.17 3hf2 s LEU 333 CO 0.08 -0.51 -0.22 -0.72 0.23 0.00 0.00 176.35 175.21 3hf2 s TYR 334 N -3.51 1.88 -0.03 0.29 1.13 -0.04 -0.02 117.35 117.05 3hf2 s TYR 334 Ca 0.06 -0.40 -0.30 0.00 -1.41 0.00 0.00 57.07 55.02 3hf2 s TYR 334 Cb 0.05 -1.06 -0.03 0.00 -1.10 0.00 0.00 41.96 39.82 3hf2 s TYR 334 CO -0.07 0.19 1.13 0.00 -2.51 0.00 0.00 175.55 174.29 3hf2 s ALA 335 N -1.05 3.40 0.18 9.51 0.00 -0.20 -1.80 121.76 131.80 3hf2 s ALA 335 Ca 0.08 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 3hf2 s ALA 335 Cb -0.10 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.64 3hf2 s ALA 335 CO 0.04 -0.57 1.44 0.87 0.00 0.00 0.00 175.76 177.54 3hf2 h LYS 336 N 7.14 0.39 -4.46 0.00 1.57 -1.58 0.18 116.57 119.81 3hf2 h LYS 336 Ca -0.36 -0.32 -0.19 0.00 -1.87 0.00 0.00 60.65 57.91 3hf2 h LYS 336 Cb 1.18 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 33.41 3hf2 h LYS 336 CO 0.84 0.95 -0.66 -1.21 -0.57 0.00 0.00 179.45 178.81 3hf2 s GLU 337 N -3.62 0.91 0.24 3.15 0.41 -1.26 -4.68 118.70 113.85 3hf2 s GLU 337 Ca -0.05 -1.42 -0.30 0.00 -0.41 0.00 0.00 54.97 52.79 3hf2 s GLU 337 Cb 0.11 0.15 -0.15 0.00 -1.78 0.00 0.00 34.13 32.46 3hf2 s GLU 337 CO 0.84 -0.21 1.07 -0.25 -0.49 0.00 0.00 175.26 176.21 3hf2 n ASP 338 N -0.09 1.30 -3.51 -0.19 8.00 -1.26 -4.14 116.55 116.67 3hf2 n ASP 338 Ca -0.07 1.16 -0.09 0.00 0.71 0.00 0.00 54.79 56.50 3hf2 n ASP 338 Cb 0.63 -1.26 -0.02 0.00 -0.02 0.00 0.00 41.12 40.45 3hf2 n ASP 338 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3hf2 s THR 339 N -0.69 0.00 -0.18 -3.53 -1.32 0.28 -4.91 115.64 105.29 3hf2 s THR 339 Ca 0.64 -0.09 -0.01 0.00 -1.21 0.00 0.00 61.69 61.02 3hf2 s THR 339 Cb -0.76 -1.12 -0.01 0.00 -1.51 0.00 0.00 72.50 69.10 3hf2 s THR 339 CO 0.56 0.00 -0.11 -0.69 -2.21 0.00 0.00 174.62 172.18 3hf2 s VAL 340 N -3.37 3.00 -0.16 5.08 1.01 -1.26 0.11 120.40 124.81 3hf2 s VAL 340 Ca 0.05 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 3hf2 s VAL 340 Cb -0.01 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3hf2 s VAL 340 CO -0.09 0.49 0.53 -0.22 0.00 0.00 0.00 175.10 175.81 3hf2 s LEU 341 N 0.98 4.21 0.00 3.92 2.96 0.25 -4.18 118.68 126.81 3hf2 s LEU 341 Ca -0.01 0.79 0.00 0.00 -0.22 0.00 0.00 54.13 54.68 3hf2 s LEU 341 Cb -0.15 -2.75 0.00 0.00 0.50 0.00 0.00 46.19 43.79 3hf2 s LEU 341 CO -0.01 -0.12 0.00 0.61 -1.32 0.00 0.00 176.35 175.51 3hf2 n GLY 342 N 3.58 0.17 2.11 7.98 0.00 -1.26 -1.65 105.19 116.12 3hf2 n GLY 342 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.78 0.56 0.00 -0.02 0.00 -1.26 -4.84 105.19 98.84 3hf2 n GLY 343 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.89 3.47 -4.00 1.61 1.02 -0.77 -5.02 120.64 114.06 3hf2 n GLU 344 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 3hf2 n GLU 344 Cb 0.00 -0.65 -0.15 0.00 -0.02 0.00 0.00 31.44 30.63 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 -0.77 3.69 0.25 -0.32 2.02 -0.66 -4.95 117.35 116.61 3hf2 s TYR 345 Ca 0.00 -2.86 -0.30 0.00 -0.37 0.00 0.00 57.07 53.54 3hf2 s TYR 345 Cb 0.00 -2.84 -0.09 0.00 -0.40 0.00 0.00 41.96 38.63 3hf2 s TYR 345 CO 0.00 -0.94 1.14 -2.14 -1.57 0.00 0.00 175.55 172.04 3hf2 s PRO 346 N 0.95 4.57 0.07 -1.71 0.02 -1.26 0.84 135.00 138.49 3hf2 s PRO 346 Ca 0.08 1.85 0.09 0.00 0.02 0.00 0.00 61.00 63.04 3hf2 s PRO 346 Cb -0.19 -3.20 -0.03 0.00 0.02 0.00 0.00 34.50 31.09 3hf2 s PRO 346 CO -0.07 0.08 -0.23 -0.51 -0.33 0.00 0.00 177.00 175.94 3hf2 s LEU 347 N -1.05 2.22 0.19 -5.54 1.43 0.29 -4.89 118.68 111.34 3hf2 s LEU 347 Ca 0.48 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3hf2 s LEU 347 Cb -0.33 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 3hf2 s LEU 347 CO 0.40 0.17 0.38 -1.61 0.23 0.00 0.00 176.35 175.92 3hf2 s GLU 348 N -1.50 3.52 0.15 1.70 2.02 -1.26 -0.56 118.70 122.77 3hf2 s GLU 348 Ca 0.09 -0.33 -0.32 0.00 0.02 0.00 0.00 54.97 54.43 3hf2 s GLU 348 Cb -0.10 -2.85 -0.17 0.00 0.10 0.00 0.00 34.13 31.11 3hf2 s GLU 348 CO 0.03 0.42 0.93 1.17 0.02 0.00 0.00 175.26 177.82 3hf2 n LYS 349 N -0.54 0.55 0.00 1.61 4.81 -1.26 -0.98 118.16 122.35 3hf2 n LYS 349 Ca -0.05 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 3hf2 n LYS 349 Cb 0.53 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 34.06 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 1.82 2.97 3.67 3.14 0.00 0.64 -4.95 105.19 112.48 3hf2 n GLY 350 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3hf2 n GLY 350 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hf2 n ASP 351 N 0.00 2.39 -4.89 1.61 8.00 -0.15 -4.55 116.55 118.97 3hf2 n ASP 351 Ca 0.00 1.19 -0.34 0.00 0.71 0.00 0.00 54.79 56.36 3hf2 n ASP 351 Cb 0.00 -1.43 -0.05 0.00 -0.02 0.00 0.00 41.12 39.62 3hf2 n ASP 351 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hf2 s GLU 352 N -1.64 3.58 0.08 -1.24 2.02 -1.26 -1.03 118.70 119.21 3hf2 s GLU 352 Ca 0.58 -0.11 0.07 0.00 0.02 0.00 0.00 54.97 55.53 3hf2 s GLU 352 Cb -0.61 -3.04 -0.03 0.00 0.10 0.00 0.00 34.13 30.55 3hf2 s GLU 352 CO 0.60 0.61 -0.19 -0.51 0.02 0.00 0.00 175.26 175.80 3hf2 s LEU 353 N -1.98 2.27 -0.11 1.80 1.43 0.97 -2.24 118.68 120.82 3hf2 s LEU 353 Ca 0.31 -0.63 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 3hf2 s LEU 353 Cb -0.13 -0.81 0.01 0.00 0.03 0.00 0.00 46.19 45.29 3hf2 s LEU 353 CO 0.19 0.05 -0.20 -0.04 0.23 0.00 0.00 176.35 176.57 3hf2 s MET 354 N -1.71 2.67 -0.22 1.70 -1.94 -0.18 -0.65 119.30 118.96 3hf2 s MET 354 Ca 0.05 -0.74 -0.20 0.00 -1.71 0.00 0.00 55.69 53.09 3hf2 s MET 354 Cb -0.10 -2.11 -0.02 0.00 2.01 0.00 0.00 34.83 34.61 3hf2 s MET 354 CO 0.03 0.06 0.60 0.08 -0.01 0.00 0.00 175.02 175.78 3hf2 s VAL 355 N 0.64 5.03 -0.76 -6.03 1.01 -0.11 -0.34 120.40 119.83 3hf2 s VAL 355 Ca -0.13 1.11 -0.15 0.00 0.00 0.00 0.00 61.98 62.81 3hf2 s VAL 355 Cb -0.16 -3.91 0.19 0.00 0.00 0.00 0.00 36.38 32.49 3hf2 s VAL 355 CO 0.03 0.09 0.73 -0.22 0.00 0.00 0.00 175.10 175.74 3hf2 s LEU 356 N 2.07 6.46 0.25 3.92 2.96 -0.79 -2.69 118.68 130.87 3hf2 s LEU 356 Ca 0.27 -2.39 -0.06 0.00 -0.22 0.00 0.00 54.13 51.73 3hf2 s LEU 356 Cb -0.16 -2.23 0.28 0.00 0.50 0.00 0.00 46.19 44.59 3hf2 s LEU 356 CO 0.10 -0.69 1.93 0.40 -1.32 0.00 0.00 176.35 176.76 3hf2 h ILE 357 N 5.15 1.25 0.00 6.68 2.04 -1.38 -2.33 117.51 128.92 3hf2 h ILE 357 Ca -0.00 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 3hf2 h ILE 357 Cb 1.06 -0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3hf2 h ILE 357 CO 0.86 0.25 -0.28 -0.65 0.00 0.00 0.00 178.15 178.33 3hf2 h PRO 358 N 1.35 0.00 -0.02 2.37 0.11 -1.88 -1.32 132.00 132.62 3hf2 h PRO 358 Ca 0.37 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.24 3hf2 h PRO 358 Cb -0.13 0.00 0.01 0.00 0.11 0.00 0.00 31.00 30.99 3hf2 h PRO 358 CO -0.09 0.28 -0.97 1.96 -0.21 0.00 0.00 178.00 178.97 3hf2 h GLN 359 N 0.00 0.58 -0.74 1.05 1.08 -1.75 -2.82 115.11 112.51 3hf2 h GLN 359 Ca -0.00 -0.60 0.11 0.00 -1.45 0.00 0.00 58.65 56.70 3hf2 h GLN 359 Cb 0.53 0.17 -0.08 0.00 -0.05 0.00 0.00 27.48 28.05 3hf2 h GLN 359 CO 0.04 1.22 0.36 1.25 -0.95 0.00 0.00 178.83 180.75 3hf2 h LEU 360 N 0.34 0.45 0.00 1.46 5.85 -1.00 -1.37 115.31 121.04 3hf2 h LEU 360 Ca -0.10 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3hf2 h LEU 360 Cb 1.61 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.64 3hf2 h LEU 360 CO 0.18 0.24 0.00 1.41 -0.34 0.00 0.00 178.44 179.93 3hf2 n HIS 361 N -4.88 0.00 -0.84 1.25 8.25 -0.54 -2.25 115.22 116.21 3hf2 n HIS 361 Ca 0.13 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.66 3hf2 n HIS 361 Cb 0.32 -0.25 0.14 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.25 1.90 -2.05 -0.41 1.74 -0.55 -4.84 116.66 111.19 3hf2 n ARG 362 Ca 0.13 -2.42 -0.40 0.00 -0.77 0.00 0.00 57.85 54.39 3hf2 n ARG 362 Cb 0.18 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 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 -2.33 5.50 0.44 0.55 -1.08 -0.96 -4.86 116.67 113.92 3hf2 s ASP 363 Ca 0.28 0.61 0.11 0.00 -0.52 0.00 0.00 52.55 53.03 3hf2 s ASP 363 Cb 0.24 -2.53 0.99 0.00 -1.46 0.00 0.00 42.92 40.16 3hf2 s ASP 363 CO 0.04 -2.15 2.04 0.11 0.52 0.00 0.00 175.17 175.73 3hf2 h LYS 364 N 14.13 0.41 0.00 4.34 1.57 -1.91 0.15 116.57 135.26 3hf2 h LYS 364 Ca -0.28 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.44 3hf2 h LYS 364 Cb 1.16 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 3hf2 h LYS 364 CO 1.16 0.27 -0.17 1.79 -0.57 0.00 0.00 179.45 181.94 3hf2 h THR 365 N 0.42 0.69 0.00 -0.16 1.35 -1.89 -1.25 112.91 112.07 3hf2 h THR 365 Ca 0.19 -0.69 -0.16 0.00 -0.55 0.00 0.00 66.41 65.19 3hf2 h THR 365 Cb 0.22 1.43 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 3hf2 h THR 365 CO -0.05 0.16 -1.13 -0.38 -0.25 0.00 0.00 175.52 173.87 3hf2 n ILE 366 N -3.72 1.49 0.50 6.82 2.08 0.30 -4.74 119.36 122.10 3hf2 n ILE 366 Ca -0.02 0.03 0.12 0.00 0.56 0.00 0.00 62.75 63.44 3hf2 n ILE 366 Cb 0.28 -2.17 0.07 0.00 -0.75 0.00 0.00 39.64 37.07 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 -4.48 0.43 0.00 1.39 7.02 0.01 -5.03 117.44 116.78 3hf2 n TRP 367 Ca -0.25 0.12 0.00 0.00 -1.02 0.00 0.00 57.50 56.36 3hf2 n TRP 367 Cb 0.55 -0.57 0.00 0.00 -2.42 0.00 0.00 31.31 28.87 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 1.34 0.92 0.07 6.99 0.00 -0.47 -4.78 105.19 109.26 3hf2 n GLY 368 Ca 0.02 -2.14 0.13 0.00 0.00 0.00 0.00 46.02 44.03 3hf2 n GLY 368 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hf2 n ASP 369 N 0.00 0.64 -1.93 1.61 9.92 -1.26 -4.00 116.55 121.53 3hf2 n ASP 369 Ca 0.00 0.42 -0.19 0.00 -0.53 0.00 0.00 54.79 54.49 3hf2 n ASP 369 Cb 0.00 -0.49 0.07 0.00 -0.64 0.00 0.00 41.12 40.06 3hf2 n ASP 369 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3hf2 n ASP 370 N -2.07 5.68 0.31 -2.24 5.75 -1.26 -4.68 116.55 118.04 3hf2 n ASP 370 Ca 0.05 -3.17 0.19 0.00 -0.01 0.00 0.00 54.79 51.85 3hf2 n ASP 370 Cb 0.41 -0.93 1.00 0.00 -1.03 0.00 0.00 41.12 40.58 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 0.87 0.22 0.00 2.12 -1.51 -1.89 -1.51 116.25 114.54 3hf2 h VAL 371 Ca 0.38 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.69 3hf2 h VAL 371 Cb 1.31 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 3hf2 h VAL 371 CO 0.89 0.02 -0.17 -0.62 -1.23 0.00 0.00 177.57 176.46 3hf2 n GLU 372 N -3.35 0.28 -2.62 5.19 -0.58 -1.26 -4.88 120.64 113.42 3hf2 n GLU 372 Ca -0.02 0.18 -0.33 0.00 -0.42 0.00 0.00 57.16 56.58 3hf2 n GLU 372 Cb 0.13 -1.78 -0.05 0.00 -0.57 0.00 0.00 31.44 29.17 3hf2 n GLU 372 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3hf2 s GLU 373 N -3.12 4.10 -0.44 3.49 2.02 -0.57 -5.02 118.70 119.16 3hf2 s GLU 373 Ca 0.09 1.04 -0.15 0.00 0.02 0.00 0.00 54.97 55.98 3hf2 s GLU 373 Cb 0.12 -2.16 0.05 0.00 0.10 0.00 0.00 34.13 32.25 3hf2 s GLU 373 CO 0.63 -0.14 0.35 0.12 0.02 0.00 0.00 175.26 176.24 3hf2 s PHE 374 N -2.39 3.24 -0.36 1.61 5.36 -1.26 -4.98 117.98 119.20 3hf2 s PHE 374 Ca 0.61 -0.80 0.00 0.00 -0.96 0.00 0.00 56.93 55.78 3hf2 s PHE 374 Cb -0.09 -2.91 0.14 0.00 -0.34 0.00 0.00 43.02 39.81 3hf2 s PHE 374 CO 0.22 -0.71 0.22 1.03 -1.46 0.00 0.00 175.22 174.52 3hf2 s ARG 375 N 1.65 0.61 0.66 10.12 0.52 -1.26 -4.98 118.95 126.27 3hf2 s ARG 375 Ca 0.04 -1.41 0.35 0.00 -0.52 0.00 0.00 55.73 54.19 3hf2 s ARG 375 Cb -0.22 -1.36 1.92 0.00 0.52 0.00 0.00 34.95 35.81 3hf2 s ARG 375 CO 0.08 -1.22 2.09 -1.35 0.02 0.00 0.00 175.30 174.93 3hf2 h PRO 376 N 6.91 0.00 0.00 3.54 0.11 -1.94 -1.57 132.00 139.05 3hf2 h PRO 376 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3hf2 h PRO 376 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3hf2 h PRO 376 CO 0.28 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.22 3hf2 n GLU 377 N -3.03 0.07 0.01 1.05 0.00 -1.26 -1.36 120.64 116.12 3hf2 n GLU 377 Ca -0.02 0.17 0.23 0.00 0.00 0.00 0.00 57.16 57.54 3hf2 n GLU 377 Cb 0.27 -1.50 0.71 0.00 0.00 0.00 0.00 31.44 30.92 3hf2 n GLU 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hf2 h ARG 378 N 0.00 0.00 -0.38 3.44 3.08 -1.68 -2.27 114.38 116.57 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 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 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 -3.75 0.50 -0.04 3.04 3.72 -0.46 -4.58 117.46 115.88 3hf2 n PHE 379 Ca 0.11 -0.45 -0.00 0.00 -0.05 0.00 0.00 57.45 57.06 3hf2 n PHE 379 Cb 0.78 -0.02 0.29 0.00 -0.94 0.00 0.00 39.48 39.58 3hf2 n PHE 379 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 3hf2 h GLU 380 N 2.46 0.62 -2.77 -1.08 4.11 -1.53 -3.31 114.58 113.07 3hf2 h GLU 380 Ca 0.00 -0.11 -0.61 0.00 0.07 0.00 0.00 59.36 58.71 3hf2 h GLU 380 Cb 0.76 -0.10 -0.41 0.00 0.50 0.00 0.00 28.75 29.50 3hf2 h GLU 380 CO 0.00 0.58 -0.71 -1.71 0.07 0.00 0.00 179.01 177.24 3hf2 n ASN 381 N -4.31 1.93 0.25 3.06 5.15 -1.26 -5.00 115.26 115.08 3hf2 n ASN 381 Ca 0.03 -2.96 0.14 0.00 -0.60 0.00 0.00 54.58 51.19 3hf2 n ASN 381 Cb 0.20 -0.69 0.81 0.00 -0.53 0.00 0.00 39.78 39.58 3hf2 n ASN 381 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3hf2 h PRO 382 N 5.33 0.00 0.00 1.20 0.13 -1.88 0.16 132.00 136.94 3hf2 h PRO 382 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3hf2 h PRO 382 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3hf2 h PRO 382 CO 0.61 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.81 3hf2 n SER 383 N -4.05 0.00 0.16 1.44 7.64 -1.26 -1.66 113.62 115.89 3hf2 n SER 383 Ca -0.01 0.39 0.05 0.00 1.01 0.00 0.00 58.87 60.30 3hf2 n SER 383 Cb 0.17 -0.44 0.08 0.00 -1.01 0.00 0.00 64.21 63.01 3hf2 n SER 383 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hf2 h ALA 384 N 2.44 0.76 -2.21 -0.43 0.00 -1.34 -3.44 119.26 115.05 3hf2 h ALA 384 Ca 0.00 -0.35 -0.55 0.00 0.00 0.00 0.00 54.91 54.01 3hf2 h ALA 384 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hf2 h ALA 384 CO 0.00 0.48 1.12 0.42 0.00 0.00 0.00 179.25 181.27 3hf2 s ILE 385 N -3.06 3.56 0.80 0.00 -1.09 -0.66 -4.98 121.20 115.76 3hf2 s ILE 385 Ca 0.04 0.66 -0.14 0.00 -2.23 0.00 0.00 60.65 58.99 3hf2 s ILE 385 Cb 0.07 -3.47 0.08 0.00 -1.58 0.00 0.00 42.46 37.56 3hf2 s ILE 385 CO 0.72 -0.11 1.20 -2.65 -1.23 0.00 0.00 174.94 172.88 3hf2 n PRO 386 N 7.33 0.25 -1.61 2.79 -0.02 -1.26 -4.92 135.00 137.57 3hf2 n PRO 386 Ca 0.18 0.16 -0.45 0.00 -2.02 0.00 0.00 63.50 61.38 3hf2 n PRO 386 Cb 0.43 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 3hf2 n PRO 386 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hf2 n GLN 387 N -3.16 1.49 -1.79 -0.52 1.13 -1.26 -2.81 117.38 110.46 3hf2 n GLN 387 Ca 0.14 0.52 -0.16 0.00 -1.94 0.00 0.00 57.00 55.56 3hf2 n GLN 387 Cb 0.50 -1.96 -0.05 0.00 0.11 0.00 0.00 30.24 28.85 3hf2 n GLN 387 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3hf2 n HIS 388 N 0.51 -0.57 0.18 1.08 8.25 -1.26 -4.85 115.22 118.56 3hf2 n HIS 388 Ca 0.10 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.67 3hf2 n HIS 388 Cb 0.32 -3.06 0.01 0.00 1.12 0.00 0.00 29.99 28.38 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 -0.16 2.65 -3.71 -1.41 0.00 -1.12 -4.68 120.51 112.07 3hf2 n ALA 389 Ca -0.17 -0.26 -0.28 0.00 0.00 0.00 0.00 53.44 52.72 3hf2 n ALA 389 Cb 0.57 -1.08 -0.16 0.00 0.00 0.00 0.00 19.45 18.78 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 -3.34 1.14 -0.32 0.00 5.36 -1.26 -4.51 117.98 115.05 3hf2 s PHE 390 Ca 0.00 -1.10 0.17 0.00 -0.96 0.00 0.00 56.93 55.03 3hf2 s PHE 390 Cb 0.11 -1.20 0.47 0.00 -0.34 0.00 0.00 43.02 42.05 3hf2 s PHE 390 CO 0.79 -0.71 1.03 1.63 -1.46 0.00 0.00 175.22 176.50 3hf2 n LYS 391 N 5.01 1.77 0.00 10.12 5.02 -1.26 -4.88 118.16 133.95 3hf2 n LYS 391 Ca -0.07 -3.55 0.08 0.00 -2.02 0.00 0.00 58.31 52.76 3hf2 n LYS 391 Cb 0.45 -1.54 0.38 0.00 -0.02 0.00 0.00 35.03 34.30 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 -0.31 0.03 -0.71 1.97 -0.04 -1.26 -2.50 135.00 132.18 3hf2 n PRO 392 Ca 0.15 0.19 -0.01 0.00 -0.04 0.00 0.00 63.50 63.79 3hf2 n PRO 392 Cb 0.80 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.97 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 -1.48 0.88 -4.39 0.54 3.72 -1.26 -4.77 117.46 110.70 3hf2 n PHE 393 Ca 0.05 -1.49 0.00 0.00 -0.05 0.00 0.00 57.45 55.96 3hf2 n PHE 393 Cb 0.20 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.31 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 -1.08 -0.41 2.91 1.37 0.00 -1.04 -0.93 105.19 106.01 3hf2 n GLY 394 Ca 0.29 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 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 0.07 0.79 1.61 3.84 -1.26 -4.84 114.94 111.15 3hf2 s ASN 395 Ca 0.00 -0.15 0.00 0.00 0.21 0.00 0.00 52.86 52.92 3hf2 s ASN 395 Cb 0.00 0.04 0.00 0.00 -0.55 0.00 0.00 41.25 40.74 3hf2 s ASN 395 CO 0.00 -0.10 0.00 0.61 -2.79 0.00 0.00 177.10 174.82 3hf2 n GLY 396 N 2.59 1.83 0.31 1.21 0.00 -1.26 -1.77 105.19 108.09 3hf2 n GLY 396 Ca -0.16 -0.47 0.20 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.67 1.61 3.07 -2.00 -1.91 115.11 115.22 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 0.01 0.00 0.54 0.09 0.00 0.00 178.83 179.47 3hf2 n ARG 398 N -3.13 4.03 -2.02 0.06 5.12 -1.00 -4.98 116.66 114.74 3hf2 n ARG 398 Ca -0.01 -2.49 -0.28 0.00 -1.93 0.00 0.00 57.85 53.14 3hf2 n ARG 398 Cb 0.19 -2.08 0.07 0.00 -1.16 0.00 0.00 32.46 29.48 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 -2.35 2.88 -0.05 7.54 0.00 -0.72 -4.41 121.76 124.65 3hf2 s ALA 399 Ca 0.43 -0.68 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 3hf2 s ALA 399 Cb 0.32 -2.84 -0.07 0.00 0.00 0.00 0.00 23.12 20.53 3hf2 s ALA 399 CO 0.13 -1.42 1.95 0.00 0.00 0.00 0.00 175.76 176.42 3hf2 h PRO 401 N 11.41 0.00 -0.53 0.00 0.13 -1.93 -3.22 132.00 137.86 3hf2 h PRO 401 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3hf2 h PRO 401 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3hf2 h PRO 401 CO 0.95 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 3hf2 n GLY 402 N 0.48 1.55 0.28 1.56 0.00 -1.26 -4.55 105.19 103.25 3hf2 n GLY 402 Ca 0.03 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 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 3.28 -0.48 -0.72 1.61 4.15 -1.96 0.15 115.11 121.14 3hf2 h GLN 403 Ca 0.00 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 3hf2 h GLN 403 Cb 0.75 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.51 3hf2 h GLN 403 CO 0.00 -0.32 0.31 1.96 -1.93 0.00 0.00 178.83 178.85 3hf2 h GLN 404 N -0.50 1.05 0.31 1.69 7.50 -1.88 -1.78 115.11 121.50 3hf2 h GLN 404 Ca 0.00 -0.17 -0.01 0.00 0.50 0.00 0.00 58.65 58.98 3hf2 h GLN 404 Cb 0.47 -0.18 -0.00 0.00 0.05 0.00 0.00 27.48 27.82 3hf2 h GLN 404 CO -0.07 0.84 -0.19 0.35 -1.50 0.00 0.00 178.83 178.25 3hf2 h PHE 405 N 1.03 -0.51 -0.77 2.96 3.04 -1.80 0.11 116.94 121.00 3hf2 h PHE 405 Ca 0.24 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.18 3hf2 h PHE 405 Cb 0.17 0.18 -0.04 0.00 2.56 0.00 0.00 35.95 38.82 3hf2 h PHE 405 CO 0.01 -0.30 0.44 0.00 -2.02 0.00 0.00 178.31 176.45 3hf2 h ALA 406 N 0.18 0.99 -0.20 2.41 0.00 -0.57 -0.01 119.26 122.06 3hf2 h ALA 406 Ca -0.03 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 3hf2 h ALA 406 Cb 0.41 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hf2 h ALA 406 CO 0.03 0.48 -0.55 -0.07 0.00 0.00 0.00 179.25 179.14 3hf2 h LEU 407 N 1.07 0.67 0.59 0.00 3.38 -1.24 -0.37 115.31 119.41 3hf2 h LEU 407 Ca 0.28 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3hf2 h LEU 407 Cb 0.00 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.57 3hf2 h LEU 407 CO -0.05 1.09 -0.28 -0.74 0.09 0.00 0.00 178.44 178.55 3hf2 h HIS 408 N 0.46 -0.73 -0.43 1.13 2.76 -0.54 -0.73 115.15 117.07 3hf2 h HIS 408 Ca 0.01 -0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.24 3hf2 h HIS 408 Cb 1.11 0.24 -0.09 0.00 1.55 0.00 0.00 27.41 30.22 3hf2 h HIS 408 CO 0.05 -0.41 -0.32 1.49 -1.30 0.00 0.00 177.93 177.45 3hf2 h GLU 409 N -0.96 -0.22 -0.43 5.26 4.81 -0.98 -0.67 114.58 121.39 3hf2 h GLU 409 Ca -0.08 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 3hf2 h GLU 409 Cb 0.66 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 3hf2 h GLU 409 CO 0.13 -0.15 0.06 0.00 -0.73 0.00 0.00 179.01 178.33 3hf2 h ALA 410 N 0.83 1.31 -0.14 2.92 0.00 -1.01 -1.20 119.26 121.97 3hf2 h ALA 410 Ca 0.18 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3hf2 h ALA 410 Cb 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hf2 h ALA 410 CO -0.56 0.48 -0.31 1.15 0.00 0.00 0.00 179.25 180.01 3hf2 h THR 411 N 0.64 1.36 0.18 0.00 2.02 -0.85 -0.87 112.91 115.39 3hf2 h THR 411 Ca 0.14 -1.58 0.01 0.00 0.77 0.00 0.00 66.41 65.75 3hf2 h THR 411 Cb 0.31 2.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 3hf2 h THR 411 CO 0.00 0.47 -0.26 0.25 0.37 0.00 0.00 175.52 176.36 3hf2 h LEU 412 N 0.08 -0.72 -0.29 2.58 5.85 -0.76 -0.46 115.31 121.60 3hf2 h LEU 412 Ca 0.00 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3hf2 h LEU 412 Cb 0.91 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3hf2 h LEU 412 CO 0.07 -0.36 0.05 0.58 -0.34 0.00 0.00 178.44 178.44 3hf2 h VAL 413 N -0.50 1.23 -0.33 1.05 2.07 -1.21 -1.37 116.25 117.19 3hf2 h VAL 413 Ca 0.01 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3hf2 h VAL 413 Cb 0.50 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3hf2 h VAL 413 CO -0.11 0.26 0.16 0.25 0.02 0.00 0.00 177.57 178.15 3hf2 h LEU 414 N 0.29 0.42 -0.43 2.57 5.85 -1.15 0.93 115.31 123.79 3hf2 h LEU 414 Ca 0.09 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.77 3hf2 h LEU 414 Cb 0.33 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 3hf2 h LEU 414 CO 0.01 0.42 0.01 1.23 -0.34 0.00 0.00 178.44 179.76 3hf2 h GLY 415 N 0.40 0.44 0.98 3.75 0.00 -0.92 -0.35 103.07 107.38 3hf2 h GLY 415 Ca 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 3hf2 h GLY 415 CO -0.02 -0.11 0.27 -0.33 0.00 0.00 0.00 176.54 176.36 3hf2 h MET 416 N 0.12 0.79 -0.58 4.80 2.86 -0.94 0.11 114.93 122.08 3hf2 h MET 416 Ca 0.22 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3hf2 h MET 416 Cb 0.31 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 3hf2 h MET 416 CO -0.35 0.64 0.35 0.52 1.06 0.00 0.00 176.91 179.13 3hf2 h MET 417 N 0.74 0.79 0.00 1.72 2.07 -0.14 -0.62 114.93 119.50 3hf2 h MET 417 Ca 0.19 -0.07 -0.13 0.00 -2.07 0.00 0.00 59.70 57.62 3hf2 h MET 417 Cb 0.11 -0.16 -0.02 0.00 -1.87 0.00 0.00 31.60 29.65 3hf2 h MET 417 CO -0.02 0.57 -0.63 -0.07 1.07 0.00 0.00 176.91 177.83 3hf2 h LEU 418 N 0.78 0.00 -0.47 1.22 3.38 -0.87 -2.36 115.31 117.00 3hf2 h LEU 418 Ca 0.21 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 3hf2 h LEU 418 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3hf2 h LEU 418 CO -0.04 0.63 -0.16 0.50 0.09 0.00 0.00 178.44 179.45 3hf2 h LYS 419 N 0.00 0.93 0.00 1.13 3.64 -0.28 -3.37 116.57 118.62 3hf2 h LYS 419 Ca -0.01 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3hf2 h LYS 419 Cb 1.23 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3hf2 h LYS 419 CO 0.08 1.04 -1.34 0.72 -2.27 0.00 0.00 179.45 177.69 3hf2 n HIS 420 N -4.19 0.46 -3.98 1.91 8.25 -0.28 -4.86 115.22 112.52 3hf2 n HIS 420 Ca -0.00 0.13 -0.09 0.00 -0.26 0.00 0.00 57.72 57.50 3hf2 n HIS 420 Cb 0.42 -0.66 -0.11 0.00 1.12 0.00 0.00 29.99 30.76 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 -3.37 0.27 0.19 4.41 0.08 -0.90 -1.15 117.98 117.51 3hf2 s PHE 421 Ca -0.02 -0.56 -0.10 0.00 0.12 0.00 0.00 56.93 56.37 3hf2 s PHE 421 Cb 0.12 -0.20 -0.07 0.00 -0.57 0.00 0.00 43.02 42.30 3hf2 s PHE 421 CO 0.83 -0.22 0.52 -0.51 -0.10 0.00 0.00 175.22 175.75 3hf2 s ASP 422 N -1.60 6.66 0.02 1.36 1.01 0.28 -4.60 116.67 119.80 3hf2 s ASP 422 Ca -0.14 0.91 0.08 0.00 0.71 0.00 0.00 52.55 54.11 3hf2 s ASP 422 Cb -0.08 -2.22 -0.02 0.00 1.01 0.00 0.00 42.92 41.60 3hf2 s ASP 422 CO -0.02 -0.00 -0.23 -0.36 0.21 0.00 0.00 175.17 174.77 3hf2 s PHE 423 N -1.69 1.99 -0.05 4.23 0.08 -1.26 0.13 117.98 121.42 3hf2 s PHE 423 Ca 0.44 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 57.12 3hf2 s PHE 423 Cb -0.12 -1.23 0.02 0.00 -0.57 0.00 0.00 43.02 41.11 3hf2 s PHE 423 CO 0.21 0.04 -0.07 -2.00 -0.10 0.00 0.00 175.22 173.30 3hf2 s GLU 424 N -0.91 1.09 -1.39 0.44 2.12 0.36 -4.97 118.70 115.44 3hf2 s GLU 424 Ca 0.09 -0.22 -0.12 0.00 0.36 0.00 0.00 54.97 55.08 3hf2 s GLU 424 Cb -0.09 -1.00 0.09 0.00 0.26 0.00 0.00 34.13 33.39 3hf2 s GLU 424 CO 0.01 -0.03 2.10 -3.47 -0.54 0.00 0.00 175.26 173.33 3hf2 n ASP 425 N 3.88 4.48 0.29 -1.70 2.03 -1.26 -1.17 116.55 123.10 3hf2 n ASP 425 Ca -0.24 -2.95 0.15 0.00 0.52 0.00 0.00 54.79 52.27 3hf2 n ASP 425 Cb 0.51 -1.58 0.87 0.00 -0.72 0.00 0.00 41.12 40.20 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 5.86 0.00 -0.17 -0.67 2.07 -1.93 -1.69 115.15 118.62 3hf2 h HIS 426 Ca 0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.03 3hf2 h HIS 426 Cb 0.63 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.61 3hf2 h HIS 426 CO 1.38 0.05 0.00 0.25 -3.07 0.00 0.00 177.93 176.54 3hf2 n THR 427 N -3.68 0.22 -3.69 6.12 -2.24 -1.26 -4.95 114.28 104.79 3hf2 n THR 427 Ca -0.02 -0.61 -0.21 0.00 -2.27 0.00 0.00 64.05 60.94 3hf2 n THR 427 Cb 0.15 1.26 0.04 0.00 -2.10 0.00 0.00 70.33 69.67 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 1.33 -1.21 -4.58 3.42 5.15 -0.63 -4.79 115.26 113.95 3hf2 n ASN 428 Ca 0.15 -0.81 -0.50 0.00 -0.60 0.00 0.00 54.58 52.83 3hf2 n ASN 428 Cb 0.57 -4.11 -0.04 0.00 -0.53 0.00 0.00 39.78 35.67 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 -4.27 1.38 -3.47 1.20 9.36 -1.26 -4.96 117.16 115.15 3hf2 n TYR 429 Ca -0.30 0.66 -0.37 0.00 3.32 0.00 0.00 57.90 61.21 3hf2 n TYR 429 Cb 0.68 -2.30 -0.07 0.00 -0.63 0.00 0.00 39.34 37.01 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 -0.14 4.21 0.09 2.98 2.12 -1.26 -5.02 118.70 121.67 3hf2 s GLU 430 Ca 0.76 0.13 -0.31 0.00 0.36 0.00 0.00 54.97 55.91 3hf2 s GLU 430 Cb -0.87 -3.49 -0.11 0.00 0.26 0.00 0.00 34.13 29.93 3hf2 s GLU 430 CO 0.51 0.09 1.86 -0.11 -0.54 0.00 0.00 175.26 177.07 3hf2 n LEU 431 N 4.05 3.97 -3.64 2.70 7.94 -1.26 -4.96 117.00 125.80 3hf2 n LEU 431 Ca -0.10 0.97 -0.25 0.00 -1.11 0.00 0.00 56.01 55.52 3hf2 n LEU 431 Cb 0.51 -1.52 -0.17 0.00 0.53 0.00 0.00 43.42 42.77 3hf2 n LEU 431 CO 0.40 0.14 -0.34 -0.62 -1.11 0.00 0.00 177.39 175.86 3hf2 s ASP 432 N 3.10 2.13 -0.35 1.96 2.15 -1.26 -5.07 116.67 119.33 3hf2 s ASP 432 Ca 0.84 -0.47 -0.12 0.00 0.43 0.00 0.00 52.55 53.22 3hf2 s ASP 432 Cb -0.50 -0.27 -0.01 0.00 -0.30 0.00 0.00 42.92 41.85 3hf2 s ASP 432 CO 0.40 -0.32 0.23 -0.63 -0.17 0.00 0.00 175.17 174.68 3hf2 s ILE 433 N 2.11 5.09 0.11 4.11 1.01 -1.26 0.69 121.20 133.06 3hf2 s ILE 433 Ca 0.02 -0.37 -0.25 0.00 0.00 0.00 0.00 60.65 60.06 3hf2 s ILE 433 Cb -0.15 -3.66 -0.07 0.00 0.01 0.00 0.00 42.46 38.59 3hf2 s ILE 433 CO -0.08 -0.05 0.75 -0.75 0.00 0.00 0.00 174.94 174.81 3hf2 s LYS 434 N 1.68 4.51 -0.14 2.79 2.20 0.49 -4.90 119.74 126.38 3hf2 s LYS 434 Ca 0.05 1.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.75 3hf2 s LYS 434 Cb -0.18 -3.30 -0.01 0.00 -1.51 0.00 0.00 37.83 32.83 3hf2 s LYS 434 CO 0.09 0.46 -0.14 -1.21 -0.36 0.00 0.00 175.35 174.19 3hf2 s GLU 435 N -0.70 3.30 0.00 4.03 2.02 -1.26 -1.96 118.70 124.12 3hf2 s GLU 435 Ca 0.36 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.63 3hf2 s GLU 435 Cb -0.22 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.40 3hf2 s GLU 435 CO 0.24 0.13 0.00 0.25 0.02 0.00 0.00 175.26 175.90 3hf2 n THR 436 N 3.76 0.00 0.17 3.63 -2.24 -1.26 -4.91 114.28 113.42 3hf2 n THR 436 Ca -0.19 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.61 3hf2 n THR 436 Cb 0.52 0.00 0.33 0.00 -2.10 0.00 0.00 70.33 69.09 3hf2 n THR 436 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3hf2 h LEU 437 N 0.00 0.05-10.02 3.22 3.38 -1.96 -3.46 115.31 106.52 3hf2 h LEU 437 Ca 0.00 -0.02 -0.63 0.00 0.09 0.00 0.00 57.88 57.33 3hf2 h LEU 437 Cb 0.00 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.63 3hf2 h LEU 437 CO 0.00 0.42 -0.48 0.42 0.09 0.00 0.00 178.44 178.89 3hf2 s THR 438 N -4.19 1.64 -0.08 0.22 -4.23 -1.26 -4.62 115.64 103.11 3hf2 s THR 438 Ca -0.03 -1.82 -0.00 0.00 -1.18 0.00 0.00 61.69 58.65 3hf2 s THR 438 Cb 0.14 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 3hf2 s THR 438 CO 0.73 0.00 -0.05 -0.76 -0.54 0.00 0.00 174.62 174.01 3hf2 s LEU 439 N -3.95 3.27 -0.02 4.79 1.43 -0.66 -4.24 118.68 119.30 3hf2 s LEU 439 Ca 0.24 -0.00 -0.14 0.00 -1.03 0.00 0.00 54.13 53.20 3hf2 s LEU 439 Cb 0.03 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.54 3hf2 s LEU 439 CO 0.13 0.34 0.30 -1.59 0.23 0.00 0.00 176.35 175.76 3hf2 s LYS 440 N -0.65 0.63 -0.51 1.70 -2.85 -0.83 -4.51 119.74 112.72 3hf2 s LYS 440 Ca 0.10 -0.16 -0.29 0.00 -1.00 0.00 0.00 55.97 54.63 3hf2 s LYS 440 Cb -0.12 0.28 0.03 0.00 -2.06 0.00 0.00 37.83 35.96 3hf2 s LYS 440 CO 0.02 -0.17 1.15 -1.25 0.10 0.00 0.00 175.35 175.20 3hf2 s PRO 441 N -1.21 3.66 0.29 1.78 0.04 -1.26 -0.38 135.00 137.92 3hf2 s PRO 441 Ca -0.13 0.46 -0.29 0.00 0.04 0.00 0.00 61.00 61.08 3hf2 s PRO 441 Cb -0.05 -3.94 -0.10 0.00 0.04 0.00 0.00 34.50 30.45 3hf2 s PRO 441 CO 0.04 -1.46 1.19 -2.00 0.04 0.00 0.00 177.00 174.81 3hf2 s GLU 442 N 4.57 4.51 -0.14 4.56 2.12 0.22 -3.57 118.70 130.97 3hf2 s GLU 442 Ca 0.46 1.98 0.00 0.00 0.36 0.00 0.00 54.97 57.77 3hf2 s GLU 442 Cb -0.07 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.17 3hf2 s GLU 442 CO 0.30 0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.45 3hf2 n GLY 443 N 1.18 0.48 3.67 -1.50 0.00 -1.26 -4.51 105.19 103.25 3hf2 n GLY 443 Ca 0.00 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.86 2.98 0.02 1.61 5.36 -1.23 -4.99 117.98 119.85 3hf2 s PHE 444 Ca 0.00 1.07 0.03 0.00 -0.96 0.00 0.00 56.93 57.07 3hf2 s PHE 444 Cb 0.00 -3.48 -0.01 0.00 -0.34 0.00 0.00 43.02 39.18 3hf2 s PHE 444 CO 0.00 -1.61 -0.10 0.14 -1.46 0.00 0.00 175.22 172.19 3hf2 s VAL 445 N 2.91 0.80 0.21 3.12 -7.23 -1.26 -1.55 120.40 117.39 3hf2 s VAL 445 Ca 0.56 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 60.04 3hf2 s VAL 445 Cb -0.24 -0.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 3hf2 s VAL 445 CO 0.19 0.04 0.09 0.68 -0.31 0.00 0.00 175.10 175.78 3hf2 s VAL 446 N -0.60 0.31 -0.02 1.32 -7.23 -1.02 -4.59 120.40 108.56 3hf2 s VAL 446 Ca 0.01 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 3hf2 s VAL 446 Cb -0.06 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 3hf2 s VAL 446 CO 0.00 -0.13 -0.03 -0.54 -0.31 0.00 0.00 175.10 174.09 3hf2 s LYS 447 N -4.06 2.73 -0.14 4.82 1.02 -0.31 -0.49 119.74 123.30 3hf2 s LYS 447 Ca 0.34 -0.61 -0.01 0.00 0.02 0.00 0.00 55.97 55.72 3hf2 s LYS 447 Cb 0.07 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 3hf2 s LYS 447 CO 0.10 0.64 -0.12 0.00 -0.92 0.00 0.00 175.35 175.05 3hf2 s ALA 448 N -0.98 2.68 -0.24 5.17 0.00 -1.26 -0.49 121.76 126.64 3hf2 s ALA 448 Ca 0.17 -0.89 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 3hf2 s ALA 448 Cb -0.11 -1.27 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 3hf2 s ALA 448 CO 0.07 0.23 0.04 0.21 0.00 0.00 0.00 175.76 176.30 3hf2 s LYS 449 N 0.38 3.58 0.17 0.00 2.20 0.12 -4.95 119.74 121.24 3hf2 s LYS 449 Ca -0.10 -0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 3hf2 s LYS 449 Cb -0.16 -3.23 -0.08 0.00 -1.51 0.00 0.00 37.83 32.85 3hf2 s LYS 449 CO 0.05 -0.18 1.33 0.45 -0.36 0.00 0.00 175.35 176.64 3hf2 s SER 450 N 1.53 6.88 0.00 1.43 0.15 -1.26 -0.56 113.70 121.88 3hf2 s SER 450 Ca 0.06 2.36 0.19 0.00 0.70 0.00 0.00 55.95 59.26 3hf2 s SER 450 Cb -0.15 -2.60 1.04 0.00 -1.71 0.00 0.00 66.02 62.60 3hf2 s SER 450 CO 0.02 -0.56 1.68 0.29 1.20 0.00 0.00 173.24 175.86 3hf2 n LYS 451 N 3.05 1.10 -3.76 5.44 5.02 -0.30 -4.89 118.16 123.82 3hf2 n LYS 451 Ca 0.08 -0.15 -0.27 0.00 -2.02 0.00 0.00 58.31 55.94 3hf2 n LYS 451 Cb 0.43 -1.30 0.05 0.00 -0.02 0.00 0.00 35.03 34.19 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 -0.63 -6.58 -3.41 1.97 4.76 -1.26 -4.97 118.16 108.04 3hf2 n LYS 452 Ca 0.14 0.70 -0.39 0.00 -2.87 0.00 0.00 58.31 55.89 3hf2 n LYS 452 Cb 0.10 -5.67 -0.09 0.00 -1.84 0.00 0.00 35.03 27.53 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 -3.30 5.19 0.32 -0.18 1.01 -1.26 -5.04 121.20 117.94 3hf2 s ILE 453 Ca 0.63 0.55 -0.29 0.00 0.00 0.00 0.00 60.65 61.54 3hf2 s ILE 453 Cb -0.30 -3.69 -0.13 0.00 0.01 0.00 0.00 42.46 38.36 3hf2 s ILE 453 CO 0.77 0.17 1.30 -0.81 0.00 0.00 0.00 174.94 176.38 3hf2 n PRO 454 N 5.22 2.09 0.00 2.79 -0.04 -1.26 -5.01 135.00 138.78 3hf2 n PRO 454 Ca -0.09 0.73 0.12 0.00 -0.04 0.00 0.00 63.50 64.23 3hf2 n PRO 454 Cb 0.51 -2.32 0.17 0.00 -0.04 0.00 0.00 33.50 31.82 3hf2 n PRO 454 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35