#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fag s ILE 2 N 0.00 5.22 -0.11 12.58 1.01 -1.26 -4.00 121.20 134.64 1fag s ILE 2 Ca 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.81 1fag s ILE 2 Cb 0.00 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1fag s ILE 2 CO 0.00 0.10 0.13 -0.54 0.00 0.00 0.00 174.94 174.63 1fag s LYS 3 N 1.93 3.39 0.06 2.79 -0.14 -0.97 -5.05 119.74 121.74 1fag s LYS 3 Ca 0.11 -0.18 -0.30 0.00 -1.36 0.00 0.00 55.97 54.24 1fag s LYS 3 Cb -0.16 -3.14 -0.05 0.00 -1.68 0.00 0.00 37.83 32.79 1fag s LYS 3 CO 0.11 0.76 1.16 -2.00 -0.76 0.00 0.00 175.35 174.62 1fag s GLU 4 N -1.09 4.46 -0.06 1.68 2.12 -1.26 -4.68 118.70 119.88 1fag s GLU 4 Ca 0.16 1.71 -0.29 0.00 0.36 0.00 0.00 54.97 56.91 1fag s GLU 4 Cb -0.12 -3.36 -0.07 0.00 0.26 0.00 0.00 34.13 30.84 1fag s GLU 4 CO 0.05 -0.21 2.02 1.41 -0.54 0.00 0.00 175.26 177.99 1fag s MET 5 N 0.97 3.82 0.37 4.30 -2.45 -1.26 -4.98 119.30 120.07 1fag s MET 5 Ca 0.57 2.38 -0.24 0.00 -1.25 0.00 0.00 55.69 57.15 1fag s MET 5 Cb -0.28 -4.22 -0.10 0.00 1.25 0.00 0.00 34.83 31.48 1fag s MET 5 CO 0.29 -1.32 0.98 -1.25 1.05 0.00 0.00 175.02 174.77 1fag s PRO 6 N 5.03 4.38 -0.04 4.11 0.04 -1.26 -4.76 135.00 142.50 1fag s PRO 6 Ca 0.91 1.34 -0.20 0.00 0.04 0.00 0.00 61.00 63.09 1fag s PRO 6 Cb -0.39 -2.59 0.04 0.00 0.04 0.00 0.00 34.50 31.60 1fag s PRO 6 CO 0.39 0.08 0.44 1.14 0.04 0.00 0.00 177.00 179.08 1fag s GLN 7 N -2.43 0.78 1.35 4.56 -2.07 -1.26 -0.58 119.66 120.01 1fag s GLN 7 Ca 0.55 0.01 -0.19 0.00 -1.82 0.00 0.00 55.36 53.91 1fag s GLN 7 Cb -0.18 0.36 0.34 0.00 -1.09 0.00 0.00 33.01 32.44 1fag s GLN 7 CO 0.23 -0.22 0.91 -0.35 -1.32 0.00 0.00 175.29 174.54 1fag n PRO 8 N 1.28 -3.85 -1.71 9.60 -0.04 -1.26 -4.93 135.00 134.09 1fag n PRO 8 Ca -0.20 -1.12 -0.39 0.00 -0.04 0.00 0.00 63.50 61.75 1fag n PRO 8 Cb 0.56 -2.01 0.04 0.00 -0.04 0.00 0.00 33.50 32.05 1fag n PRO 8 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1fag n LYS 9 N -5.37 1.57 -4.28 0.54 4.81 -1.26 -4.92 118.16 109.25 1fag n LYS 9 Ca 0.08 0.58 -0.30 0.00 -0.87 0.00 0.00 58.31 57.80 1fag n LYS 9 Cb 0.57 -2.47 -0.10 0.00 0.02 0.00 0.00 35.03 33.05 1fag n LYS 9 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1fag s THR 10 N -1.31 3.20 -0.64 3.15 -4.23 -1.26 -4.29 115.64 110.26 1fag s THR 10 Ca 0.71 -1.32 0.06 0.00 -1.18 0.00 0.00 61.69 59.96 1fag s THR 10 Cb -0.43 -2.48 0.27 0.00 1.34 0.00 0.00 72.50 71.20 1fag s THR 10 CO 0.50 0.13 0.80 0.49 -0.54 0.00 0.00 174.62 176.00 1fag n PHE 11 N 0.79 3.72 -3.55 3.99 3.01 0.11 -4.91 117.46 120.62 1fag n PHE 11 Ca -0.14 -4.10 0.00 0.00 1.01 0.00 0.00 57.45 54.22 1fag n PHE 11 Cb 0.52 -0.56 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 1fag n PHE 11 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1fag n GLY 12 N 0.64 2.68 0.49 1.37 0.00 -1.26 -1.55 105.19 107.55 1fag n GLY 12 Ca 0.30 -0.32 0.31 0.00 0.00 0.00 0.00 46.02 46.31 1fag n GLY 12 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1fag h GLU 13 N 0.00 0.00 0.00 1.61 4.11 -2.04 0.29 114.58 118.55 1fag h GLU 13 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1fag h GLU 13 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1fag h GLU 13 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.36 1fag n LEU 14 N -4.24 0.73 0.00 3.06 7.99 -0.60 -4.45 117.00 119.49 1fag n LEU 14 Ca 0.21 0.65 0.00 0.00 -0.01 0.00 0.00 56.01 56.85 1fag n LEU 14 Cb 1.05 -0.51 0.00 0.00 -0.11 0.00 0.00 43.42 43.85 1fag n LEU 14 CO 0.39 -0.47 0.00 0.29 -1.51 0.00 0.00 177.39 176.09 1fag n LYS 15 N -2.27 0.00 -0.01 3.23 4.76 0.10 -1.13 118.16 122.84 1fag n LYS 15 Ca 0.03 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.61 1fag n LYS 15 Cb 0.28 0.00 0.48 0.00 -1.84 0.00 0.00 35.03 33.96 1fag n LYS 15 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1fag n ASN 16 N 3.07 1.63 -0.25 4.39 4.13 -0.43 0.06 115.26 127.86 1fag n ASN 16 Ca 0.00 -1.55 0.04 0.00 1.68 0.00 0.00 54.58 54.75 1fag n ASN 16 Cb 0.00 -0.01 0.15 0.00 -1.54 0.00 0.00 39.78 38.38 1fag n ASN 16 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1fag h LEU 17 N 2.52 -0.36 -2.03 3.41 5.85 -1.21 -0.82 115.31 122.67 1fag h LEU 17 Ca 0.00 0.19 0.13 0.00 0.84 0.00 0.00 57.88 59.04 1fag h LEU 17 Cb 0.54 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1fag h LEU 17 CO 0.00 -0.17 0.33 -0.65 -0.34 0.00 0.00 178.44 177.61 1fag h PRO 18 N 0.10 0.00 0.00 5.25 0.11 -1.77 -1.06 132.00 134.63 1fag h PRO 18 Ca 0.40 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.47 1fag h PRO 18 Cb 0.69 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 1fag h PRO 18 CO -0.65 0.00 -0.16 -0.07 -0.21 0.00 0.00 178.00 176.91 1fag h LEU 19 N 0.00 0.00 -2.45 2.35 3.38 -1.47 -2.45 115.31 114.66 1fag h LEU 19 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1fag h LEU 19 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1fag h LEU 19 CO -0.00 0.16 0.00 0.18 0.09 0.00 0.00 178.44 178.87 1fag n LEU 20 N -3.58 3.60 -4.57 1.67 4.32 -0.40 -4.78 117.00 113.27 1fag n LEU 20 Ca -0.01 -1.81 -0.34 0.00 -0.02 0.00 0.00 56.01 53.83 1fag n LEU 20 Cb 0.30 -0.45 -0.04 0.00 -1.62 0.00 0.00 43.42 41.61 1fag n LEU 20 CO 0.31 0.84 1.52 0.20 -1.22 0.00 0.00 177.39 179.04 1fag s ASN 21 N -0.97 5.85 0.16 -1.43 0.02 -0.92 -4.78 114.94 112.86 1fag s ASN 21 Ca 0.44 -1.40 -0.25 0.00 -1.02 0.00 0.00 52.86 50.63 1fag s ASN 21 Cb 0.24 -2.57 0.06 0.00 0.02 0.00 0.00 41.25 38.99 1fag s ASN 21 CO 0.28 -2.14 0.87 0.28 0.02 0.00 0.00 177.10 176.41 1fag s THR 22 N 7.60 0.00 -2.23 1.60 -1.32 -1.26 -5.00 115.64 115.02 1fag s THR 22 Ca 0.59 -0.59 0.28 0.00 -1.21 0.00 0.00 61.69 60.76 1fag s THR 22 Cb -0.02 -1.77 0.54 0.00 -1.51 0.00 0.00 72.50 69.74 1fag s THR 22 CO 0.00 0.00 1.78 0.47 -2.21 0.00 0.00 174.62 174.67 1fag n ASP 23 N -0.43 1.14 -3.27 8.08 8.00 -1.26 -4.31 116.55 124.51 1fag n ASP 23 Ca -0.07 -1.25 -0.25 0.00 0.71 0.00 0.00 54.79 53.93 1fag n ASP 23 Cb 0.61 0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.65 1fag n ASP 23 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1fag n LYS 24 N -0.21 0.76 -0.13 -1.24 5.02 -1.26 -4.11 118.16 116.99 1fag n LYS 24 Ca 0.18 -3.35 -0.11 0.00 -2.02 0.00 0.00 58.31 53.01 1fag n LYS 24 Cb 0.32 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 1fag n LYS 24 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1fag h PRO 25 N 4.41 0.75 -0.09 1.97 0.13 -1.87 -2.40 132.00 134.90 1fag h PRO 25 Ca 0.13 -0.30 0.04 0.00 -0.87 0.00 0.00 66.00 64.99 1fag h PRO 25 Cb 0.87 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 1fag h PRO 25 CO 0.47 0.90 -0.15 0.28 -0.23 0.00 0.00 178.00 179.28 1fag h VAL 26 N 0.55 0.61 -0.22 1.56 2.07 -1.95 0.27 116.25 119.14 1fag h VAL 26 Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 1fag h VAL 26 Cb 0.64 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1fag h VAL 26 CO 0.04 0.00 0.02 1.56 0.02 0.00 0.00 177.57 179.21 1fag h GLN 27 N -0.21 0.32 -0.23 1.57 4.20 -1.99 0.14 115.11 118.92 1fag h GLN 27 Ca 0.08 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 1fag h GLN 27 Cb 0.32 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1fag h GLN 27 CO -0.21 0.33 -0.08 0.00 -0.67 0.00 0.00 178.83 178.20 1fag h ALA 28 N 1.71 0.32 -0.58 3.87 0.00 -0.64 -1.75 119.26 122.18 1fag h ALA 28 Ca 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1fag h ALA 28 Cb 0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1fag h ALA 28 CO 0.00 0.14 0.22 -0.07 0.00 0.00 0.00 179.25 179.54 1fag h LEU 29 N 0.19 0.79 -0.39 0.00 3.38 0.32 -0.89 115.31 118.70 1fag h LEU 29 Ca 0.05 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1fag h LEU 29 Cb 0.56 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1fag h LEU 29 CO 0.03 0.72 0.22 0.24 0.09 0.00 0.00 178.44 179.74 1fag h MET 30 N 0.84 0.44 -0.53 1.13 2.86 -0.38 0.44 114.93 119.74 1fag h MET 30 Ca 0.20 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1fag h MET 30 Cb 0.19 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1fag h MET 30 CO -0.02 0.29 0.29 -0.22 1.06 0.00 0.00 176.91 178.32 1fag h LYS 31 N 0.45 0.74 -0.37 1.72 3.64 -0.46 0.32 116.57 122.61 1fag h LYS 31 Ca 0.16 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1fag h LYS 31 Cb 0.02 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1fag h LYS 31 CO -0.08 0.57 0.09 0.82 -2.27 0.00 0.00 179.45 178.58 1fag h ILE 32 N 0.71 1.17 -0.36 2.00 2.04 -0.38 0.12 117.51 122.81 1fag h ILE 32 Ca 0.19 -0.61 -0.15 0.00 1.00 0.00 0.00 64.86 65.29 1fag h ILE 32 Cb 0.05 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1fag h ILE 32 CO -0.03 0.22 -0.37 0.00 0.00 0.00 0.00 178.15 177.97 1fag h ALA 33 N 1.56 0.67 -0.64 1.87 0.00 0.11 0.39 119.26 123.21 1fag h ALA 33 Ca 0.13 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1fag h ALA 33 Cb 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1fag h ALA 33 CO -0.00 0.67 0.30 -0.44 0.00 0.00 0.00 179.25 179.78 1fag h ASP 34 N 0.70 0.82 0.45 0.00 3.32 0.10 0.68 116.42 122.50 1fag h ASP 34 Ca 0.06 -0.09 -0.27 0.00 0.02 0.00 0.00 57.03 56.75 1fag h ASP 34 Cb 0.94 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 40.29 1fag h ASP 34 CO 0.09 0.71 -1.19 -0.08 -1.72 0.00 0.00 179.24 177.05 1fag h GLU 35 N 0.91 0.38 0.00 3.56 4.81 -0.42 -3.37 114.58 120.45 1fag h GLU 35 Ca 0.22 -0.56 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1fag h GLU 35 Cb 0.11 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1fag h GLU 35 CO -0.03 1.23 -1.12 1.28 -0.73 0.00 0.00 179.01 179.64 1fag n LEU 36 N -3.65 0.45 0.00 1.64 4.77 0.13 -5.08 117.00 115.26 1fag n LEU 36 Ca -0.10 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1fag n LEU 36 Cb 0.98 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 1fag n LEU 36 CO 0.54 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1fag n GLY 37 N 1.45 -1.80 0.52 -0.72 0.00 0.24 -4.60 105.19 100.28 1fag n GLY 37 Ca 0.01 -2.03 0.35 0.00 0.00 0.00 0.00 46.02 44.34 1fag n GLY 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1fag h GLU 38 N 0.05 0.06 -2.20 1.61 4.11 -1.93 -3.43 114.58 112.85 1fag h GLU 38 Ca 0.00 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.36 1fag h GLU 38 Cb 0.00 -0.01 -0.21 0.00 0.50 0.00 0.00 28.75 29.03 1fag h GLU 38 CO 0.00 0.04 0.05 -1.50 0.07 0.00 0.00 179.01 177.67 1fag s ILE 39 N -5.03 0.00 0.05 -1.06 2.07 -1.26 -0.25 121.20 115.72 1fag s ILE 39 Ca -0.06 -0.03 -0.22 0.00 -1.41 0.00 0.00 60.65 58.94 1fag s ILE 39 Cb 0.24 -0.90 0.05 0.00 0.13 0.00 0.00 42.46 41.98 1fag s ILE 39 CO 0.81 -0.02 0.51 0.72 -1.91 0.00 0.00 174.94 175.06 1fag s PHE 40 N -0.10 -0.41 -0.11 3.50 -0.12 -1.01 -4.59 117.98 115.15 1fag s PHE 40 Ca -0.03 0.44 -0.17 0.00 -0.05 0.00 0.00 56.93 57.12 1fag s PHE 40 Cb -0.04 0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 42.65 1fag s PHE 40 CO 0.03 -0.65 0.42 0.21 -0.05 0.00 0.00 175.22 175.19 1fag s LYS 41 N -2.52 4.25 -0.29 1.99 2.20 0.25 -0.73 119.74 124.89 1fag s LYS 41 Ca -0.05 0.36 0.02 0.00 -0.36 0.00 0.00 55.97 55.95 1fag s LYS 41 Cb -0.01 -3.40 0.07 0.00 -1.51 0.00 0.00 37.83 32.99 1fag s LYS 41 CO -0.02 0.26 -0.04 0.12 -0.36 0.00 0.00 175.35 175.31 1fag s PHE 42 N 0.31 3.42 -0.01 4.03 2.19 0.37 -4.23 117.98 124.07 1fag s PHE 42 Ca 0.23 -2.46 -0.02 0.00 0.33 0.00 0.00 56.93 55.02 1fag s PHE 42 Cb -0.15 -2.28 -0.04 0.00 -1.31 0.00 0.00 43.02 39.24 1fag s PHE 42 CO 0.09 -0.89 0.14 -2.00 1.83 0.00 0.00 175.22 174.39 1fag s GLU 43 N 1.07 3.27 0.21 10.12 2.56 -1.26 -1.28 118.70 133.38 1fag s GLU 43 Ca -0.02 -0.40 -0.08 0.00 0.00 0.00 0.00 54.97 54.47 1fag s GLU 43 Cb -0.20 -2.99 -0.02 0.00 2.00 0.00 0.00 34.13 32.92 1fag s GLU 43 CO -0.05 0.66 0.32 0.00 -0.56 0.00 0.00 175.26 175.63 1fag s ALA 44 N -1.27 0.27 0.05 6.30 0.00 -0.61 -1.32 121.76 125.19 1fag s ALA 44 Ca 0.25 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 1fag s ALA 44 Cb -0.12 1.12 -0.09 0.00 0.00 0.00 0.00 23.12 24.03 1fag s ALA 44 CO 0.17 -0.72 1.86 -2.14 0.00 0.00 0.00 175.76 174.93 1fag s PRO 45 N -4.05 4.15 0.00 0.00 0.02 -1.26 -3.55 135.00 130.31 1fag s PRO 45 Ca 0.26 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.81 1fag s PRO 45 Cb 0.03 -3.95 0.00 0.00 0.02 0.00 0.00 34.50 30.60 1fag s PRO 45 CO 0.08 -0.89 0.00 0.41 -0.33 0.00 0.00 177.00 176.27 1fag n GLY 46 N 4.36 2.17 3.95 0.52 0.00 -1.26 -4.96 105.19 109.97 1fag n GLY 46 Ca 0.19 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1fag n GLY 46 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fag s ARG 47 N 0.00 3.39 -0.02 1.61 1.70 -1.23 -5.12 118.95 119.28 1fag s ARG 47 Ca 0.00 -0.75 -0.21 0.00 -0.47 0.00 0.00 55.73 54.30 1fag s ARG 47 Cb 0.00 -2.88 0.04 0.00 -0.57 0.00 0.00 34.95 31.54 1fag s ARG 47 CO 0.00 0.45 0.46 0.54 -1.08 0.00 0.00 175.30 175.67 1fag s VAL 48 N -1.93 0.03 0.29 4.99 0.11 -1.26 -1.57 120.40 121.06 1fag s VAL 48 Ca 0.34 -0.29 -0.17 0.00 -2.93 0.00 0.00 61.98 58.93 1fag s VAL 48 Cb -0.09 -0.80 0.02 0.00 -1.53 0.00 0.00 36.38 33.98 1fag s VAL 48 CO 0.28 -0.16 0.66 0.28 -3.33 0.00 0.00 175.10 172.84 1fag s THR 49 N -1.39 0.00 -0.15 5.04 -1.32 -0.41 -4.66 115.64 112.75 1fag s THR 49 Ca -0.12 -1.13 0.02 0.00 -1.21 0.00 0.00 61.69 59.25 1fag s THR 49 Cb -0.03 -2.22 0.01 0.00 -1.51 0.00 0.00 72.50 68.76 1fag s THR 49 CO 0.06 0.00 -0.20 -0.13 -2.21 0.00 0.00 174.62 172.13 1fag s ARG 50 N -3.66 3.05 -0.32 7.08 0.52 -1.11 -0.47 118.95 124.04 1fag s ARG 50 Ca 0.15 -0.83 -0.18 0.00 -0.52 0.00 0.00 55.73 54.36 1fag s ARG 50 Cb -0.04 -2.49 -0.01 0.00 0.52 0.00 0.00 34.95 32.92 1fag s ARG 50 CO 0.09 -0.04 0.49 0.71 0.02 0.00 0.00 175.30 176.57 1fag s TYR 51 N 0.88 3.21 -0.13 -0.53 2.02 0.09 0.12 117.35 123.01 1fag s TYR 51 Ca -0.05 0.32 -0.10 0.00 -0.37 0.00 0.00 57.07 56.87 1fag s TYR 51 Cb -0.15 -2.82 -0.05 0.00 -0.40 0.00 0.00 41.96 38.54 1fag s TYR 51 CO -0.03 -0.43 0.19 -0.51 -1.57 0.00 0.00 175.55 173.20 1fag s LEU 52 N 2.32 4.33 -0.03 -1.29 1.02 0.58 -2.40 118.68 123.20 1fag s LEU 52 Ca 0.19 0.47 0.00 0.00 0.02 0.00 0.00 54.13 54.81 1fag s LEU 52 Cb -0.16 -2.19 -0.02 0.00 0.02 0.00 0.00 46.19 43.85 1fag s LEU 52 CO 0.12 0.28 -0.03 -1.20 0.02 0.00 0.00 176.35 175.55 1fag n SER 53 N 2.65 3.78 -4.76 2.29 7.64 0.65 -1.94 113.62 123.94 1fag n SER 53 Ca -0.17 -0.02 -0.40 0.00 1.01 0.00 0.00 58.87 59.30 1fag n SER 53 Cb 0.53 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.67 1fag n SER 53 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1fag s SER 54 N -4.26 7.52 0.31 6.43 1.04 -1.22 -2.92 113.70 120.60 1fag s SER 54 Ca -0.04 2.02 0.00 0.00 0.48 0.00 0.00 55.95 58.41 1fag s SER 54 Cb 0.01 -2.61 0.53 0.00 0.10 0.00 0.00 66.02 64.05 1fag s SER 54 CO 0.08 0.06 1.94 -0.61 0.98 0.00 0.00 173.24 175.69 1fag h GLN 55 N 3.96 0.99 -0.80 4.02 -0.00 -1.86 0.38 115.11 121.80 1fag h GLN 55 Ca -0.46 -0.06 0.14 0.00 -0.00 0.00 0.00 58.65 58.27 1fag h GLN 55 Cb 1.20 -0.22 -0.06 0.00 0.00 0.00 0.00 27.48 28.40 1fag h GLN 55 CO 0.67 0.66 0.53 0.07 0.00 0.00 0.00 178.83 180.76 1fag h ARG 56 N 1.02 0.53 0.10 1.69 0.11 -1.93 0.42 114.38 116.32 1fag h ARG 56 Ca 0.34 -0.03 -0.35 0.00 0.10 0.00 0.00 59.98 60.05 1fag h ARG 56 Cb 0.08 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 31.02 1fag h ARG 56 CO -0.11 0.35 -1.91 1.28 0.10 0.00 0.00 179.97 179.68 1fag n LEU 57 N -4.51 2.18 -0.02 0.08 7.99 -0.63 -4.01 117.00 118.08 1fag n LEU 57 Ca 0.15 0.27 -0.10 0.00 -0.01 0.00 0.00 56.01 56.33 1fag n LEU 57 Cb 0.48 -0.79 -0.04 0.00 -0.11 0.00 0.00 43.42 42.96 1fag n LEU 57 CO 0.32 0.73 0.90 0.40 -1.51 0.00 0.00 177.39 178.23 1fag h ILE 58 N 0.06 0.97 -0.69 -0.08 1.08 -0.26 -0.53 117.51 118.05 1fag h ILE 58 Ca -0.38 -0.05 0.18 0.00 -0.39 0.00 0.00 64.86 64.22 1fag h ILE 58 Cb 2.03 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 36.57 1fag h ILE 58 CO 0.09 0.02 0.48 0.07 -0.69 0.00 0.00 178.15 178.13 1fag h LYS 59 N 0.14 0.11 0.04 2.37 2.10 -0.35 0.30 116.57 121.27 1fag h LYS 59 Ca 0.07 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1fag h LYS 59 Cb 0.04 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1fag h LYS 59 CO -0.07 0.07 -0.02 0.93 -2.00 0.00 0.00 179.45 178.37 1fag h GLU 60 N 0.11 -0.05 -0.61 0.07 5.08 -1.46 -3.16 114.58 114.56 1fag h GLU 60 Ca 0.33 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.87 1fag h GLU 60 Cb 1.15 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1fag h GLU 60 CO -0.04 0.62 0.44 0.00 -1.00 0.00 0.00 179.01 179.03 1fag h ALA 61 N -0.01 2.53 -0.19 3.43 0.00 0.17 0.71 119.26 125.89 1fag h ALA 61 Ca -0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1fag h ALA 61 Cb 0.69 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1fag h ALA 61 CO 0.01 -0.71 0.12 0.00 0.00 0.00 0.00 179.25 178.67 1fag s ASP 63 N 0.51 5.40 0.52 0.00 2.15 0.24 -4.94 116.67 120.55 1fag s ASP 63 Ca 0.11 -1.91 0.33 0.00 0.43 0.00 0.00 52.55 51.51 1fag s ASP 63 Cb 0.09 -1.89 1.48 0.00 -0.30 0.00 0.00 42.92 42.31 1fag s ASP 63 CO 0.02 -0.57 1.82 -0.33 -0.17 0.00 0.00 175.17 175.94 1fag h GLU 64 N 8.19 0.05 0.00 4.34 5.08 -1.84 0.25 114.58 130.65 1fag h GLU 64 Ca -0.17 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1fag h GLU 64 Cb 1.06 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1fag h GLU 64 CO 0.74 0.03 -0.16 0.66 -1.00 0.00 0.00 179.01 179.28 1fag h SER 65 N 0.05 0.00 0.00 1.42 4.64 -1.96 -3.29 113.55 114.41 1fag h SER 65 Ca 0.54 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.79 1fag h SER 65 Cb 2.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.12 1fag h SER 65 CO -0.04 0.16 -1.32 0.54 -0.87 0.00 0.00 176.83 175.30 1fag n ARG 66 N -3.49 2.24 -4.34 4.77 1.74 0.59 -4.92 116.66 113.26 1fag n ARG 66 Ca -0.01 -0.02 -0.20 0.00 -0.77 0.00 0.00 57.85 56.85 1fag n ARG 66 Cb 0.32 -1.13 -0.16 0.00 -1.02 0.00 0.00 32.46 30.47 1fag n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1fag s PHE 67 N -2.20 0.93 0.28 -1.55 0.08 0.37 -0.12 117.98 115.76 1fag s PHE 67 Ca -0.02 -0.25 0.10 0.00 0.12 0.00 0.00 56.93 56.88 1fag s PHE 67 Cb 0.02 -0.70 -0.05 0.00 -0.57 0.00 0.00 43.02 41.73 1fag s PHE 67 CO 0.22 -0.14 -0.08 0.34 -0.10 0.00 0.00 175.22 175.46 1fag s ASP 68 N 0.43 4.16 0.19 1.36 2.15 -1.17 -3.90 116.67 119.89 1fag s ASP 68 Ca -0.07 -0.81 -0.31 0.00 0.43 0.00 0.00 52.55 51.79 1fag s ASP 68 Cb -0.11 -0.62 -0.10 0.00 -0.30 0.00 0.00 42.92 41.79 1fag s ASP 68 CO 0.01 0.00 1.56 -0.75 -0.17 0.00 0.00 175.17 175.82 1fag s LYS 69 N -3.61 4.21 -0.02 4.34 2.20 -1.26 -1.54 119.74 124.06 1fag s LYS 69 Ca 0.31 2.38 0.02 0.00 -0.36 0.00 0.00 55.97 58.32 1fag s LYS 69 Cb -0.05 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.10 1fag s LYS 69 CO 0.18 -0.59 -0.04 1.21 -0.36 0.00 0.00 175.35 175.75 1fag s ASN 70 N 0.98 4.83 -0.69 1.43 2.47 0.71 -4.65 114.94 120.02 1fag s ASN 70 Ca 0.68 -0.06 -0.25 0.00 0.42 0.00 0.00 52.86 53.65 1fag s ASN 70 Cb -0.44 -1.20 0.04 0.00 -1.45 0.00 0.00 41.25 38.20 1fag s ASN 70 CO 0.34 0.30 1.15 -0.76 -3.72 0.00 0.00 177.10 174.42 1fag s LEU 71 N -1.33 3.63 0.89 3.21 1.02 -1.26 -4.17 118.68 120.67 1fag s LEU 71 Ca 0.17 -0.59 -0.11 0.00 0.02 0.00 0.00 54.13 53.62 1fag s LEU 71 Cb -0.11 -2.56 0.13 0.00 0.02 0.00 0.00 46.19 43.67 1fag s LEU 71 CO 0.07 -1.66 1.16 -0.94 0.02 0.00 0.00 176.35 175.01 1fag s SER 72 N 3.63 3.07 0.28 2.29 1.04 -1.26 -4.62 113.70 118.13 1fag s SER 72 Ca 0.31 2.24 0.02 0.00 0.48 0.00 0.00 55.95 59.00 1fag s SER 72 Cb -0.11 -2.57 0.67 0.00 0.10 0.00 0.00 66.02 64.10 1fag s SER 72 CO 0.14 -3.01 1.72 1.56 0.98 0.00 0.00 173.24 174.63 1fag h GLN 73 N -1.64 0.46 0.30 4.02 1.08 -1.99 0.54 115.11 117.87 1fag h GLN 73 Ca -0.44 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1fag h GLN 73 Cb 1.28 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.58 1fag h GLN 73 CO 0.43 0.30 -0.43 0.00 -0.95 0.00 0.00 178.83 178.18 1fag h ALA 74 N 1.66 -1.02 -0.13 3.87 0.00 -1.91 -1.65 119.26 120.08 1fag h ALA 74 Ca 0.53 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.34 1fag h ALA 74 Cb 0.93 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1fag h ALA 74 CO -0.47 -1.08 0.13 -0.07 0.00 0.00 0.00 179.25 177.76 1fag h LEU 75 N -0.75 0.00 -0.49 0.00 3.38 -1.59 0.07 115.31 115.93 1fag h LEU 75 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1fag h LEU 75 Cb 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1fag h LEU 75 CO -0.12 0.00 0.12 0.11 0.09 0.00 0.00 178.44 178.63 1fag h LYS 76 N 0.00 0.78 -0.32 1.13 1.79 -0.04 -0.93 116.57 118.98 1fag h LYS 76 Ca 0.06 -0.19 -0.14 0.00 -2.18 0.00 0.00 60.65 58.21 1fag h LYS 76 Cb 0.32 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1fag h LYS 76 CO -0.00 0.76 -0.34 0.74 -1.08 0.00 0.00 179.45 179.53 1fag h PHE 77 N 0.66 0.96 0.00 -1.35 0.04 -0.32 -2.86 116.94 114.08 1fag h PHE 77 Ca 0.15 -0.29 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 1fag h PHE 77 Cb 0.33 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 1fag h PHE 77 CO 0.02 1.08 -0.04 0.28 -0.60 0.00 0.00 178.31 179.05 1fag h VAL 78 N 0.57 0.43 0.00 -0.55 2.07 -0.98 -0.83 116.25 116.97 1fag h VAL 78 Ca 0.05 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1fag h VAL 78 Cb 0.92 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1fag h VAL 78 CO 0.08 0.04 -0.08 -0.09 0.02 0.00 0.00 177.57 177.54 1fag h ARG 79 N 0.00 0.00 -0.85 1.57 2.43 -0.93 0.93 114.38 117.53 1fag h ARG 79 Ca -0.00 0.00 0.24 0.00 -0.81 0.00 0.00 59.98 59.41 1fag h ARG 79 Cb 0.13 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1fag h ARG 79 CO 0.01 0.08 0.60 -0.44 -1.51 0.00 0.00 179.97 178.71 1fag h ASP 80 N 0.00 0.07 0.00 -3.80 3.32 -1.26 0.78 116.42 115.54 1fag h ASP 80 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1fag h ASP 80 Cb 0.18 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1fag h ASP 80 CO 0.01 0.03 -0.88 2.22 -1.72 0.00 0.00 179.24 178.90 1fag n PHE 81 N -4.32 0.00 1.11 4.55 -1.74 -0.93 -4.68 117.46 111.45 1fag n PHE 81 Ca 0.18 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.19 1fag n PHE 81 Cb 0.88 0.00 0.21 0.00 1.52 0.00 0.00 39.48 42.09 1fag n PHE 81 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1fag n ALA 82 N -1.36 3.50 -0.09 1.98 0.00 0.28 -4.90 120.51 119.91 1fag n ALA 82 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1fag n ALA 82 Cb 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1fag n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fag n GLY 83 N 1.41 2.24 2.69 0.00 0.00 0.27 -2.21 105.19 109.60 1fag n GLY 83 Ca 0.09 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1fag n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fag n ASP 84 N 0.36 7.18 -4.88 1.61 5.75 -1.26 -4.34 116.55 120.97 1fag n ASP 84 Ca 0.00 -3.81 -0.30 0.00 -0.01 0.00 0.00 54.79 50.67 1fag n ASP 84 Cb 0.00 -0.95 0.02 0.00 -1.03 0.00 0.00 41.12 39.15 1fag n ASP 84 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1fag s GLY 85 N -1.62 1.62 0.10 6.12 0.00 -0.94 -4.62 107.32 107.97 1fag s GLY 85 Ca 0.55 -0.27 -0.18 0.00 0.00 0.00 0.00 44.72 44.81 1fag s GLY 85 CO -0.28 -0.01 0.91 1.04 0.00 0.00 0.00 173.10 174.77 1fag n LEU 86 N -2.69 -0.61 -0.00 0.66 4.32 -1.26 -0.16 117.00 117.26 1fag n LEU 86 Ca 0.05 1.05 0.04 0.00 -0.02 0.00 0.00 56.01 57.14 1fag n LEU 86 Cb 0.55 -0.14 0.43 0.00 -1.62 0.00 0.00 43.42 42.64 1fag n LEU 86 CO 0.56 -0.86 1.16 0.15 -1.22 0.00 0.00 177.39 177.18 1fag h PHE 87 N 0.00 0.51 -0.27 -1.77 3.04 -1.94 -3.16 116.94 113.35 1fag h PHE 87 Ca 0.10 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1fag h PHE 87 Cb 0.25 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.59 1fag h PHE 87 CO -0.60 0.32 0.00 0.25 -2.02 0.00 0.00 178.31 176.25 1fag n THR 88 N -4.48 0.52 -3.85 4.41 -2.24 0.77 -5.00 114.28 104.42 1fag n THR 88 Ca 0.03 -0.76 -0.31 0.00 -2.27 0.00 0.00 64.05 60.74 1fag n THR 88 Cb 0.08 0.89 -0.04 0.00 -2.10 0.00 0.00 70.33 69.16 1fag n THR 88 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1fag s SER 89 N -1.15 6.40 0.65 3.42 1.04 -0.69 -4.75 113.70 118.62 1fag s SER 89 Ca 0.26 0.36 -0.16 0.00 0.48 0.00 0.00 55.95 56.89 1fag s SER 89 Cb 0.15 -2.00 -0.01 0.00 0.10 0.00 0.00 66.02 64.27 1fag s SER 89 CO 0.21 0.15 1.13 0.26 0.98 0.00 0.00 173.24 175.97 1fag s TRP 90 N -1.53 2.54 0.15 5.02 0.52 -1.26 -4.94 118.94 119.44 1fag s TRP 90 Ca 0.36 1.56 -0.14 0.00 0.02 0.00 0.00 56.10 57.89 1fag s TRP 90 Cb -0.13 -3.24 0.03 0.00 -1.15 0.00 0.00 33.47 28.98 1fag s TRP 90 CO 0.26 -1.82 1.74 1.15 0.02 0.00 0.00 176.95 178.30 1fag h THR 91 N 0.23 1.19 -0.29 2.01 2.02 -1.97 -2.93 112.91 113.16 1fag h THR 91 Ca -0.48 -0.52 -0.27 0.00 0.77 0.00 0.00 66.41 65.91 1fag h THR 91 Cb 1.26 0.64 -0.10 0.00 -1.74 0.00 0.00 68.15 68.21 1fag h THR 91 CO 0.54 0.20 -0.17 1.57 0.37 0.00 0.00 175.52 178.03 1fag n HIS 92 N -4.63 0.44 -4.00 3.16 -0.00 -1.26 -4.45 115.22 104.48 1fag n HIS 92 Ca 0.02 -1.62 -0.25 0.00 -0.00 0.00 0.00 57.72 55.87 1fag n HIS 92 Cb 0.11 -1.53 -0.17 0.00 -0.00 0.00 0.00 29.99 28.40 1fag n HIS 92 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 1fag s GLU 93 N 0.24 1.26 0.34 1.57 2.12 -1.11 -5.04 118.70 118.08 1fag s GLU 93 Ca 0.64 -0.18 0.10 0.00 0.36 0.00 0.00 54.97 55.90 1fag s GLU 93 Cb 0.33 -1.34 1.02 0.00 0.26 0.00 0.00 34.13 34.41 1fag s GLU 93 CO -0.06 -0.21 1.58 -0.22 -0.54 0.00 0.00 175.26 175.80 1fag h LYS 94 N 7.93 0.01 0.00 4.30 3.64 -1.89 0.17 116.57 130.72 1fag h LYS 94 Ca -0.29 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.06 1fag h LYS 94 Cb 1.14 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1fag h LYS 94 CO 0.39 0.01 -0.17 -0.91 -2.27 0.00 0.00 179.45 176.49 1fag h ASN 95 N 0.01 0.00 0.06 4.20 4.21 -1.93 -2.66 115.58 119.47 1fag h ASN 95 Ca 0.71 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 58.22 1fag h ASN 95 Cb 1.68 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.88 1fag h ASN 95 CO -0.86 0.17 -0.03 -0.25 -1.29 0.00 0.00 177.43 175.18 1fag h TRP 96 N 0.00 -0.08 -0.69 1.19 7.01 -0.92 -1.52 115.95 120.93 1fag h TRP 96 Ca -0.00 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.14 1fag h TRP 96 Cb 0.45 0.03 -0.10 0.00 -2.10 0.00 0.00 29.16 27.43 1fag h TRP 96 CO 0.00 -0.05 0.18 0.87 -2.79 0.00 0.00 178.44 176.65 1fag h LYS 97 N -0.13 0.28 0.08 2.65 1.57 -1.65 0.35 116.57 119.72 1fag h LYS 97 Ca -0.01 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1fag h LYS 97 Cb 0.06 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1fag h LYS 97 CO 0.01 0.19 -0.33 -0.22 -0.57 0.00 0.00 179.45 178.53 1fag h LYS 98 N 0.29 -0.45 -0.94 3.15 3.64 -1.55 -0.02 116.57 120.69 1fag h LYS 98 Ca 0.38 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.82 1fag h LYS 98 Cb 0.61 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.48 1fag h LYS 98 CO -0.46 -0.30 0.62 0.00 -2.27 0.00 0.00 179.45 177.04 1fag h ALA 99 N -0.94 1.38 -0.08 5.00 0.00 -0.82 -0.34 119.26 123.46 1fag h ALA 99 Ca -0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1fag h ALA 99 Cb 0.47 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1fag h ALA 99 CO -0.17 0.54 -0.12 1.25 0.00 0.00 0.00 179.25 180.74 1fag h HIS 100 N 1.20 -0.32 -0.25 0.00 -0.00 0.20 0.45 115.15 116.43 1fag h HIS 100 Ca 0.36 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.75 1fag h HIS 100 Cb -0.03 0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 1fag h HIS 100 CO -0.00 -0.19 0.15 -0.91 -0.00 0.00 0.00 177.93 176.99 1fag h ASN 101 N -0.17 0.31 -0.67 3.26 2.35 -0.24 0.11 115.58 120.52 1fag h ASN 101 Ca 0.07 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 1fag h ASN 101 Cb 0.27 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 1fag h ASN 101 CO -0.18 0.27 0.13 0.40 -1.65 0.00 0.00 177.43 176.39 1fag h ILE 102 N 0.32 1.26 0.01 2.81 2.04 -0.61 -3.31 117.51 120.02 1fag h ILE 102 Ca 0.09 -1.02 -0.27 0.00 1.00 0.00 0.00 64.86 64.66 1fag h ILE 102 Cb 0.02 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1fag h ILE 102 CO -0.02 0.38 -1.50 -0.07 0.00 0.00 0.00 178.15 176.95 1fag h LEU 103 N 1.03 0.03 -0.98 1.44 4.07 0.01 -3.39 115.31 117.52 1fag h LEU 103 Ca 0.21 -0.06 0.31 0.00 0.08 0.00 0.00 57.88 58.42 1fag h LEU 103 Cb 0.42 -0.01 -0.15 0.00 1.08 0.00 0.00 40.66 42.00 1fag h LEU 103 CO 0.01 1.05 0.51 0.25 -1.08 0.00 0.00 178.44 179.18 1fag h LEU 104 N 0.01 0.42 -1.84 1.67 5.85 -0.86 -0.25 115.31 120.29 1fag h LEU 104 Ca -0.21 0.20 0.21 0.00 0.84 0.00 0.00 57.88 58.92 1fag h LEU 104 Cb 1.94 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 43.10 1fag h LEU 104 CO 0.10 -0.16 0.56 -0.65 -0.34 0.00 0.00 178.44 177.96 1fag h PRO 105 N 0.29 0.13 0.00 5.25 0.11 -1.77 -1.02 132.00 134.99 1fag h PRO 105 Ca 0.71 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.81 1fag h PRO 105 Cb 1.61 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.69 1fag h PRO 105 CO -0.63 0.09 0.00 0.43 -0.21 0.00 0.00 178.00 177.68 1fag n SER 106 N -4.37 0.00 -2.26 -2.05 7.64 -0.11 -2.84 113.62 109.63 1fag n SER 106 Ca 0.16 0.09 -0.18 0.00 1.01 0.00 0.00 58.87 59.95 1fag n SER 106 Cb 0.78 -0.23 0.03 0.00 -1.01 0.00 0.00 64.21 63.78 1fag n SER 106 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1fag n PHE 107 N -1.23 2.42 -3.66 1.43 3.72 -0.39 -4.78 117.46 114.98 1fag n PHE 107 Ca 0.04 -2.29 -0.28 0.00 -0.05 0.00 0.00 57.45 54.88 1fag n PHE 107 Cb 0.06 -0.30 -0.03 0.00 -0.94 0.00 0.00 39.48 38.27 1fag n PHE 107 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1fag s SER 108 N -3.63 6.40 0.36 4.37 1.04 -1.13 -4.93 113.70 116.18 1fag s SER 108 Ca 0.45 0.45 0.17 0.00 0.48 0.00 0.00 55.95 57.50 1fag s SER 108 Cb 0.39 -2.03 1.16 0.00 0.10 0.00 0.00 66.02 65.64 1fag s SER 108 CO 0.00 -0.05 1.65 0.06 0.98 0.00 0.00 173.24 175.89 1fag h GLN 109 N 2.06 0.25 -0.23 4.02 -0.00 -1.97 0.33 115.11 119.57 1fag h GLN 109 Ca -0.48 -0.02 -0.15 0.00 -0.00 0.00 0.00 58.65 58.01 1fag h GLN 109 Cb 1.19 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 28.61 1fag h GLN 109 CO 0.68 0.17 -0.44 -0.56 -0.00 0.00 0.00 178.83 178.68 1fag h GLN 110 N 0.26 0.70 -0.47 0.06 3.07 -1.96 -2.86 115.11 113.91 1fag h GLN 110 Ca 0.75 -0.45 0.05 0.00 0.09 0.00 0.00 58.65 59.09 1fag h GLN 110 Cb 1.85 0.05 -0.04 0.00 0.08 0.00 0.00 27.48 29.42 1fag h GLN 110 CO -0.59 1.07 0.21 0.00 0.09 0.00 0.00 178.83 179.61 1fag h ALA 111 N 0.63 0.58 -0.63 0.06 0.00 -0.73 0.36 119.26 119.54 1fag h ALA 111 Ca 0.01 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1fag h ALA 111 Cb 1.04 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1fag h ALA 111 CO 0.10 -0.16 0.42 0.52 0.00 0.00 0.00 179.25 180.13 1fag h MET 112 N 0.42 0.51 -0.39 0.00 2.86 -1.18 0.41 114.93 117.56 1fag h MET 112 Ca 0.21 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.75 1fag h MET 112 Cb 0.15 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1fag h MET 112 CO -0.17 0.34 -0.06 0.87 1.06 0.00 0.00 176.91 178.95 1fag h LYS 113 N 0.52 0.64 -0.06 1.72 1.57 -0.72 -1.71 116.57 118.54 1fag h LYS 113 Ca 0.28 -0.18 -0.22 0.00 -1.87 0.00 0.00 60.65 58.67 1fag h LYS 113 Cb 0.43 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.68 1fag h LYS 113 CO -0.09 0.70 -0.82 0.78 -0.57 0.00 0.00 179.45 179.46 1fag h GLY 114 N 0.94 0.74 0.98 3.86 0.00 0.43 -3.30 103.07 106.71 1fag h GLY 114 Ca 0.12 -1.17 -0.00 0.00 0.00 0.00 0.00 47.33 46.27 1fag h GLY 114 CO 0.02 1.04 0.24 -0.97 0.00 0.00 0.00 176.54 176.87 1fag h TYR 115 N 0.33 0.56 -0.70 5.60 0.05 -0.81 -3.28 116.97 118.72 1fag h TYR 115 Ca -0.08 -0.01 0.21 0.00 0.05 0.00 0.00 58.73 58.89 1fag h TYR 115 Cb 1.47 -0.18 -0.13 0.00 1.01 0.00 0.00 36.73 38.90 1fag h TYR 115 CO 0.11 0.41 0.06 1.58 -1.05 0.00 0.00 178.16 179.27 1fag n HIS 116 N -4.74 0.49 0.19 4.88 -0.00 -0.65 -0.90 115.22 114.49 1fag n HIS 116 Ca 0.01 0.84 -0.14 0.00 0.46 0.00 0.00 57.72 58.88 1fag n HIS 116 Cb 0.07 -1.05 -0.07 0.00 -0.12 0.00 0.00 29.99 28.81 1fag n HIS 116 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1fag h ALA 117 N 1.39 -0.60 -0.73 1.57 0.00 -1.77 -1.62 119.26 117.50 1fag h ALA 117 Ca 0.45 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.30 1fag h ALA 117 Cb 0.96 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1fag h ALA 117 CO -0.64 -0.87 0.46 0.52 0.00 0.00 0.00 179.25 178.72 1fag h MET 118 N -0.60 0.86 -0.75 0.00 2.07 -1.24 -2.01 114.93 113.26 1fag h MET 118 Ca -0.01 -0.05 0.13 0.00 -2.07 0.00 0.00 59.70 57.69 1fag h MET 118 Cb 0.55 -0.19 -0.09 0.00 -1.87 0.00 0.00 31.60 30.00 1fag h MET 118 CO -0.06 0.57 0.33 0.52 1.07 0.00 0.00 176.91 179.34 1fag h MET 119 N 0.88 0.49 -0.26 1.72 2.86 -0.90 0.02 114.93 119.75 1fag h MET 119 Ca 0.30 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.84 1fag h MET 119 Cb 0.04 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1fag h MET 119 CO -0.12 0.33 -0.15 0.28 1.06 0.00 0.00 176.91 178.31 1fag h VAL 120 N 0.51 1.23 -0.39 -2.22 2.07 -0.58 -1.86 116.25 115.00 1fag h VAL 120 Ca 0.40 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.96 1fag h VAL 120 Cb 0.55 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 1fag h VAL 120 CO -0.36 0.33 0.04 -0.78 0.02 0.00 0.00 177.57 176.83 1fag h ASP 121 N 0.40 -0.07 0.12 0.57 1.82 -0.57 0.22 116.42 118.91 1fag h ASP 121 Ca 0.07 0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.79 1fag h ASP 121 Cb 0.50 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.64 1fag h ASP 121 CO 0.03 0.00 -0.06 0.40 -1.61 0.00 0.00 179.24 178.01 1fag h ILE 122 N 0.16 1.07 -0.94 2.25 1.08 -1.36 -2.21 117.51 117.56 1fag h ILE 122 Ca 0.19 -0.89 0.20 0.00 -0.39 0.00 0.00 64.86 63.97 1fag h ILE 122 Cb 0.25 1.61 -0.11 0.00 -3.07 0.00 0.00 36.82 35.50 1fag h ILE 122 CO -0.28 0.21 0.51 0.00 -0.69 0.00 0.00 178.15 177.90 1fag h ALA 123 N 0.21 1.53 -0.33 1.87 0.00 -1.05 0.47 119.26 121.96 1fag h ALA 123 Ca -0.02 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1fag h ALA 123 Cb 0.46 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1fag h ALA 123 CO 0.03 -0.17 0.13 0.28 0.00 0.00 0.00 179.25 179.51 1fag h VAL 124 N 0.61 1.19 -0.93 0.00 2.07 -0.48 -0.59 116.25 118.13 1fag h VAL 124 Ca 0.56 -0.59 0.16 0.00 0.82 0.00 0.00 66.70 67.64 1fag h VAL 124 Cb 0.93 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 31.58 1fag h VAL 124 CO -0.43 0.20 0.59 1.56 0.02 0.00 0.00 177.57 179.52 1fag h GLN 125 N 0.39 0.69 0.62 1.57 4.20 0.47 0.24 115.11 123.28 1fag h GLN 125 Ca 0.11 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1fag h GLN 125 Cb 0.20 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 27.83 1fag h GLN 125 CO -0.01 0.45 -0.30 1.25 -0.67 0.00 0.00 178.83 179.56 1fag h LEU 126 N 0.71 -0.70 -0.64 1.46 6.46 0.17 -0.99 115.31 121.78 1fag h LEU 126 Ca 0.48 -0.02 0.13 0.00 -0.12 0.00 0.00 57.88 58.35 1fag h LEU 126 Cb 0.78 0.18 -0.10 0.00 -0.73 0.00 0.00 40.66 40.79 1fag h LEU 126 CO -0.24 -0.33 0.12 0.58 -0.62 0.00 0.00 178.44 177.95 1fag h VAL 127 N -1.12 0.57 -0.58 1.05 2.07 -0.26 -0.21 116.25 117.78 1fag h VAL 127 Ca -0.08 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1fag h VAL 127 Cb 0.68 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1fag h VAL 127 CO 0.14 0.04 0.33 1.56 0.02 0.00 0.00 177.57 179.66 1fag h GLN 128 N 0.23 0.61 0.24 1.57 1.08 -0.50 0.55 115.11 118.90 1fag h GLN 128 Ca 0.35 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.51 1fag h GLN 128 Cb 0.55 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 1fag h GLN 128 CO -0.46 0.40 -0.25 -0.22 -0.95 0.00 0.00 178.83 177.35 1fag h LYS 129 N 0.63 -0.51 -0.11 1.46 3.64 0.32 0.19 116.57 122.19 1fag h LYS 129 Ca 0.25 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1fag h LYS 129 Cb 0.10 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1fag h LYS 129 CO -0.14 -0.34 -0.01 -1.49 -2.27 0.00 0.00 179.45 175.20 1fag h TRP 130 N -0.53 0.15 -0.01 1.91 4.06 -0.41 -1.60 115.95 119.53 1fag h TRP 130 Ca -0.00 -0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.72 1fag h TRP 130 Cb 0.49 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.61 1fag h TRP 130 CO -0.17 0.17 -0.91 0.93 -3.56 0.00 0.00 178.44 174.90 1fag h GLU 131 N 0.15 0.39 0.00 0.49 4.39 0.56 -3.20 114.58 117.36 1fag h GLU 131 Ca 0.04 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1fag h GLU 131 Cb 0.13 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1fag h GLU 131 CO 0.00 1.08 0.00 0.54 -1.16 0.00 0.00 179.01 179.47 1fag n ARG 132 N -3.75 0.21 -1.12 2.33 1.74 0.62 -4.85 116.66 111.84 1fag n ARG 132 Ca -0.06 0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 56.74 1fag n ARG 132 Cb 0.82 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.89 1fag n ARG 132 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1fag s LEU 133 N -2.77 2.59 0.24 0.55 1.02 -0.91 -5.05 118.68 114.35 1fag s LEU 133 Ca 0.20 1.73 0.10 0.00 0.02 0.00 0.00 54.13 56.18 1fag s LEU 133 Cb 0.18 -4.23 -0.05 0.00 0.02 0.00 0.00 46.19 42.11 1fag s LEU 133 CO 0.46 -2.53 -0.18 0.54 0.02 0.00 0.00 176.35 174.65 1fag s ASN 134 N -3.26 3.21 0.00 2.29 6.03 -1.26 -5.04 114.94 116.90 1fag s ASN 134 Ca 0.63 -1.01 0.00 0.00 -1.03 0.00 0.00 52.86 51.46 1fag s ASN 134 Cb -0.19 -0.24 0.00 0.00 -3.03 0.00 0.00 41.25 37.80 1fag s ASN 134 CO 0.57 -0.03 0.00 0.00 -2.03 0.00 0.00 177.10 175.62 1fag n ALA 135 N -0.43 0.00 0.28 3.54 0.00 -1.26 -0.16 120.51 122.48 1fag n ALA 135 Ca -0.07 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.52 1fag n ALA 135 Cb 0.60 0.00 0.85 0.00 0.00 0.00 0.00 19.45 20.90 1fag n ALA 135 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1fag h ASP 136 N 0.00 0.00 -4.11 0.00 2.03 -2.05 -3.44 116.42 108.86 1fag h ASP 136 Ca 0.00 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.84 1fag h ASP 136 Cb 0.00 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.52 1fag h ASP 136 CO 0.00 0.06 0.37 -1.61 -1.03 0.00 0.00 179.24 177.03 1fag s GLU 137 N -4.35 3.89 0.26 4.15 2.02 0.78 -5.07 118.70 120.38 1fag s GLU 137 Ca -0.04 1.20 0.02 0.00 0.02 0.00 0.00 54.97 56.18 1fag s GLU 137 Cb 0.14 -2.12 -0.05 0.00 0.10 0.00 0.00 34.13 32.19 1fag s GLU 137 CO 0.55 -0.33 0.06 -3.38 0.02 0.00 0.00 175.26 172.18 1fag s HIS 138 N -2.21 1.62 -0.01 1.61 -3.43 -1.26 -4.77 115.29 106.84 1fag s HIS 138 Ca 0.64 -1.07 -0.02 0.00 -0.80 0.00 0.00 55.06 53.80 1fag s HIS 138 Cb -0.13 -0.98 -0.04 0.00 -1.43 0.00 0.00 32.58 30.00 1fag s HIS 138 CO 0.22 -0.19 0.15 0.96 -2.00 0.00 0.00 174.74 173.87 1fag s ILE 139 N -3.58 5.20 -0.48 -5.38 -4.36 0.12 -4.97 121.20 107.75 1fag s ILE 139 Ca 0.35 -0.23 -0.11 0.00 -0.26 0.00 0.00 60.65 60.40 1fag s ILE 139 Cb 0.08 -3.41 0.11 0.00 1.25 0.00 0.00 42.46 40.49 1fag s ILE 139 CO 0.13 0.35 0.38 -1.61 0.24 0.00 0.00 174.94 174.42 1fag s GLU 140 N -1.83 2.64 0.00 0.37 2.02 -1.26 -1.73 118.70 118.91 1fag s GLU 140 Ca 0.25 -1.69 0.00 0.00 0.02 0.00 0.00 54.97 53.55 1fag s GLU 140 Cb -0.12 -4.01 0.00 0.00 0.10 0.00 0.00 34.13 30.10 1fag s GLU 140 CO 0.16 -1.19 0.78 0.28 0.02 0.00 0.00 175.26 175.31 1fag n VAL 141 N 5.01 0.00 -0.26 2.63 0.31 -0.72 -1.65 118.33 123.65 1fag n VAL 141 Ca -0.10 1.28 0.26 0.00 -0.01 0.00 0.00 64.34 65.77 1fag n VAL 141 Cb 0.41 -2.07 0.62 0.00 -0.91 0.00 0.00 33.84 31.89 1fag n VAL 141 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1fag h PRO 142 N 0.00 0.20 0.04 5.55 0.13 -1.84 0.15 132.00 136.22 1fag h PRO 142 Ca 0.00 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1fag h PRO 142 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 1fag h PRO 142 CO 0.00 0.13 -0.02 0.93 -0.23 0.00 0.00 178.00 178.81 1fag h GLU 143 N 0.20 -0.05 0.00 0.86 3.07 -1.88 0.26 114.58 117.05 1fag h GLU 143 Ca 0.51 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.28 1fag h GLU 143 Cb 1.64 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.55 1fag h GLU 143 CO -0.13 0.14 -0.43 -0.44 -1.40 0.00 0.00 179.01 176.75 1fag h ASP 144 N -0.23 0.00 0.24 1.42 3.32 -0.04 -1.72 116.42 119.41 1fag h ASP 144 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1fag h ASP 144 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1fag h ASP 144 CO 0.01 0.43 -0.12 0.24 -1.72 0.00 0.00 179.24 178.09 1fag h MET 145 N 0.00 -0.31 -0.89 3.56 2.86 -0.56 -1.28 114.93 118.31 1fag h MET 145 Ca -0.00 0.02 0.16 0.00 -2.06 0.00 0.00 59.70 57.82 1fag h MET 145 Cb 0.96 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.62 1fag h MET 145 CO 0.06 0.04 0.58 1.15 1.06 0.00 0.00 176.91 179.79 1fag h THR 146 N -0.74 0.78 -0.30 2.22 2.02 -0.87 0.29 112.91 116.31 1fag h THR 146 Ca -0.03 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1fag h THR 146 Cb 0.50 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1fag h THR 146 CO 0.05 0.11 0.17 -0.09 0.37 0.00 0.00 175.52 176.13 1fag h ARG 147 N 0.59 0.41 0.27 6.66 2.43 -1.14 -1.85 114.38 121.76 1fag h ARG 147 Ca 0.46 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 1fag h ARG 147 Cb 0.87 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1fag h ARG 147 CO -0.20 0.33 -0.13 1.25 -1.51 0.00 0.00 179.97 179.71 1fag h LEU 148 N 0.37 -0.31 -0.45 3.80 5.85 0.67 -3.03 115.31 122.21 1fag h LEU 148 Ca 0.11 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.74 1fag h LEU 148 Cb 0.04 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 1fag h LEU 148 CO -0.02 0.01 0.08 0.74 -0.34 0.00 0.00 178.44 178.90 1fag h THR 149 N -0.65 0.74 -0.57 1.05 2.02 -0.75 -0.76 112.91 114.00 1fag h THR 149 Ca -0.04 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 1fag h THR 149 Cb 0.46 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1fag h THR 149 CO 0.06 0.04 0.12 0.25 0.37 0.00 0.00 175.52 176.36 1fag h LEU 150 N 0.20 0.88 -0.62 2.58 5.85 -1.42 -2.41 115.31 120.38 1fag h LEU 150 Ca 0.22 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1fag h LEU 150 Cb 0.29 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1fag h LEU 150 CO -0.30 0.89 0.41 0.44 -0.34 0.00 0.00 178.44 179.54 1fag h ASP 151 N 0.83 0.71 0.19 1.25 3.32 -1.33 -1.22 116.42 120.17 1fag h ASP 151 Ca 0.18 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1fag h ASP 151 Cb 0.37 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1fag h ASP 151 CO 0.00 0.52 -0.09 0.74 -1.72 0.00 0.00 179.24 178.69 1fag h THR 152 N 0.84 0.86 -0.78 0.35 2.02 -0.99 -1.25 112.91 113.95 1fag h THR 152 Ca 0.23 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 1fag h THR 152 Cb -0.10 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1fag h THR 152 CO -0.05 0.05 0.34 -0.29 0.37 0.00 0.00 175.52 175.94 1fag h ILE 153 N -0.35 1.26 -0.03 3.11 6.09 -1.36 0.09 117.51 126.32 1fag h ILE 153 Ca -0.03 -0.77 0.01 0.00 -1.37 0.00 0.00 64.86 62.70 1fag h ILE 153 Cb 0.27 0.30 -0.01 0.00 0.47 0.00 0.00 36.82 37.86 1fag h ILE 153 CO 0.04 0.32 -0.01 1.23 -3.07 0.00 0.00 178.15 176.66 1fag h GLY 154 N 1.12 0.02 0.57 8.18 0.00 -1.13 0.38 103.07 112.22 1fag h GLY 154 Ca 0.26 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 1fag h GLY 154 CO -0.03 -0.01 -0.28 -2.00 0.00 0.00 0.00 176.54 174.23 1fag h LEU 155 N 0.00 -0.65 -0.39 3.11 5.85 -0.91 0.11 115.31 122.42 1fag h LEU 155 Ca 0.01 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.83 1fag h LEU 155 Cb 0.02 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1fag h LEU 155 CO -0.03 -0.40 0.02 0.00 -0.34 0.00 0.00 178.44 177.70 1fag h GLY 157 N 0.13 0.00 0.00 0.00 0.00 -0.31 -3.41 103.07 99.49 1fag h GLY 157 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1fag h GLY 157 CO -0.30 0.00 0.00 0.69 0.00 0.00 0.00 176.54 176.93 1fag n PHE 158 N -3.09 0.00 -3.67 5.60 3.01 -0.14 -1.58 117.46 117.58 1fag n PHE 158 Ca -0.02 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.21 1fag n PHE 158 Cb 0.76 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.28 1fag n PHE 158 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1fag n ASN 159 N -0.00 -3.55 -4.11 4.37 5.15 0.26 -4.93 115.26 112.44 1fag n ASN 159 Ca 0.00 -0.70 -0.27 0.00 -0.60 0.00 0.00 54.58 53.01 1fag n ASN 159 Cb 0.22 -4.48 -0.17 0.00 -0.53 0.00 0.00 39.78 34.82 1fag n ASN 159 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1fag s TYR 160 N -3.42 1.85 -0.45 1.20 5.04 -0.92 -4.91 117.35 115.73 1fag s TYR 160 Ca 0.31 -0.67 -0.17 0.00 -2.44 0.00 0.00 57.07 54.10 1fag s TYR 160 Cb -0.15 -1.28 0.04 0.00 0.35 0.00 0.00 41.96 40.92 1fag s TYR 160 CO 0.78 -0.29 0.48 1.03 -1.34 0.00 0.00 175.55 176.21 1fag s ARG 161 N 0.40 3.08 0.54 4.97 0.52 -1.26 -2.50 118.95 124.71 1fag s ARG 161 Ca -0.13 -0.89 0.33 0.00 -0.52 0.00 0.00 55.73 54.51 1fag s ARG 161 Cb -0.15 -4.03 1.30 0.00 0.52 0.00 0.00 34.95 32.59 1fag s ARG 161 CO 0.05 -0.98 1.96 0.74 0.02 0.00 0.00 175.30 177.09 1fag h PHE 162 N 8.80 0.00 -5.48 -0.53 0.04 -1.90 -3.46 116.94 114.40 1fag h PHE 162 Ca -0.27 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 60.11 1fag h PHE 162 Cb 1.11 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.18 1fag h PHE 162 CO 0.66 0.02 -0.58 0.09 -0.60 0.00 0.00 178.31 177.89 1fag n ASN 163 N -3.12 -3.91 0.24 2.17 3.02 -1.26 -4.83 115.26 107.57 1fag n ASN 163 Ca 0.01 -0.43 0.16 0.00 -0.03 0.00 0.00 54.58 54.29 1fag n ASN 163 Cb 0.32 -3.22 0.73 0.00 -0.61 0.00 0.00 39.78 37.00 1fag n ASN 163 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1fag h SER 164 N -1.08 0.00 0.31 6.41 0.02 -1.90 0.21 113.55 117.53 1fag h SER 164 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1fag h SER 164 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1fag h SER 164 CO 0.55 0.00 -0.02 0.49 -1.14 0.00 0.00 176.83 176.71 1fag n PHE 165 N -3.13 0.00 -0.98 3.45 3.72 -1.26 -3.08 117.46 116.17 1fag n PHE 165 Ca 0.02 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.46 1fag n PHE 165 Cb 0.53 -0.16 0.34 0.00 -0.94 0.00 0.00 39.48 39.25 1fag n PHE 165 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1fag n TYR 166 N -1.06 1.84 -3.70 1.38 4.02 0.74 -4.90 117.16 115.48 1fag n TYR 166 Ca 0.18 -0.91 -0.14 0.00 -0.01 0.00 0.00 57.90 57.02 1fag n TYR 166 Cb 0.21 -0.50 -0.14 0.00 -0.02 0.00 0.00 39.34 38.89 1fag n TYR 166 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1fag s ARG 167 N -2.86 0.13 0.16 -0.72 1.70 -1.18 -5.03 118.95 111.14 1fag s ARG 167 Ca 0.51 0.57 -0.16 0.00 -0.47 0.00 0.00 55.73 56.18 1fag s ARG 167 Cb 0.40 -0.14 0.05 0.00 -0.57 0.00 0.00 34.95 34.69 1fag s ARG 167 CO 0.13 -0.23 1.77 0.38 -1.08 0.00 0.00 175.30 176.27 1fag h ASP 168 N 7.78 0.26 -2.72 -2.89 3.04 -1.90 -3.42 116.42 116.57 1fag h ASP 168 Ca -0.27 0.02 -0.66 0.00 -3.24 0.00 0.00 57.03 52.88 1fag h ASP 168 Cb 1.13 -0.03 -0.07 0.00 -1.04 0.00 0.00 39.33 39.33 1fag h ASP 168 CO 0.26 0.19 -0.43 -1.10 -2.04 0.00 0.00 179.24 176.13 1fag s GLN 169 N -6.16 3.53 0.25 4.15 -1.52 -1.26 -5.04 119.66 113.61 1fag s GLN 169 Ca -0.13 -0.03 -0.28 0.00 -1.95 0.00 0.00 55.36 52.97 1fag s GLN 169 Cb 0.12 -3.19 -0.15 0.00 -0.22 0.00 0.00 33.01 29.56 1fag s GLN 169 CO 0.72 0.76 0.75 -2.30 -0.25 0.00 0.00 175.29 174.97 1fag n PRO 170 N 1.91 0.65 -1.66 2.91 -0.02 -1.26 -4.86 135.00 132.67 1fag n PRO 170 Ca -0.18 0.23 -0.46 0.00 -2.02 0.00 0.00 63.50 61.07 1fag n PRO 170 Cb 0.54 -1.41 -0.03 0.00 -0.02 0.00 0.00 33.50 32.58 1fag n PRO 170 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1fag n HIS 171 N 0.08 2.09 -0.35 6.00 -0.00 -1.26 -4.76 115.22 117.02 1fag n HIS 171 Ca 0.14 0.42 0.12 0.00 0.46 0.00 0.00 57.72 58.87 1fag n HIS 171 Cb 0.29 -2.46 0.25 0.00 -0.12 0.00 0.00 29.99 27.95 1fag n HIS 171 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1fag n PRO 172 N 2.36 -0.08 -0.26 1.57 -0.04 -1.26 0.54 135.00 137.82 1fag n PRO 172 Ca 0.13 1.50 0.08 0.00 -0.04 0.00 0.00 63.50 65.17 1fag n PRO 172 Cb 0.30 -2.35 0.21 0.00 -0.04 0.00 0.00 33.50 31.62 1fag n PRO 172 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1fag h PHE 173 N 0.00 0.24 0.14 0.54 3.57 -1.93 -0.39 116.94 119.10 1fag h PHE 173 Ca 0.57 0.05 0.01 0.00 3.53 0.00 0.00 57.97 62.12 1fag h PHE 173 Cb 1.09 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1fag h PHE 173 CO -0.58 -0.15 -0.17 0.82 -2.23 0.00 0.00 178.31 176.01 1fag h ILE 174 N 0.22 0.62 -0.65 1.41 1.08 -0.25 0.27 117.51 120.22 1fag h ILE 174 Ca 0.45 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.99 1fag h ILE 174 Cb 0.82 0.62 -0.06 0.00 -3.07 0.00 0.00 36.82 35.14 1fag h ILE 174 CO -0.58 0.00 0.35 0.74 -0.69 0.00 0.00 178.15 177.97 1fag h THR 175 N -0.35 0.94 -0.26 -0.27 2.02 -1.00 0.20 112.91 114.20 1fag h THR 175 Ca 0.01 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 1fag h THR 175 Cb 0.35 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1fag h THR 175 CO -0.06 0.12 -0.08 0.28 0.37 0.00 0.00 175.52 176.14 1fag h SER 176 N 0.63 0.52 0.38 4.18 0.02 -0.81 -2.71 113.55 115.76 1fag h SER 176 Ca 0.30 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1fag h SER 176 Cb 0.22 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1fag h SER 176 CO -0.20 0.78 -0.33 -0.03 -1.14 0.00 0.00 176.83 175.91 1fag h MET 177 N 0.26 -0.69 -0.54 3.45 -1.53 0.08 0.21 114.93 116.17 1fag h MET 177 Ca 0.06 0.05 0.04 0.00 -3.44 0.00 0.00 59.70 56.41 1fag h MET 177 Cb 0.56 0.16 -0.03 0.00 -0.55 0.00 0.00 31.60 31.74 1fag h MET 177 CO 0.03 -0.46 0.36 -0.39 0.14 0.00 0.00 176.91 176.59 1fag h VAL 178 N -0.72 1.04 -0.42 -5.77 -1.51 -1.04 -0.46 116.25 107.37 1fag h VAL 178 Ca -0.03 -0.20 -0.08 0.00 -1.23 0.00 0.00 66.70 65.16 1fag h VAL 178 Cb 0.64 0.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.18 1fag h VAL 178 CO -0.04 0.11 -0.03 0.03 -1.23 0.00 0.00 177.57 176.41 1fag h ARG 179 N 0.59 0.76 -0.15 5.19 3.08 -1.11 0.31 114.38 123.04 1fag h ARG 179 Ca 0.22 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1fag h ARG 179 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1fag h ARG 179 CO -0.06 0.86 0.08 0.00 -1.07 0.00 0.00 179.97 179.78 1fag h ALA 180 N 0.88 0.18 -0.13 0.04 0.00 0.15 0.14 119.26 120.53 1fag h ALA 180 Ca 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1fag h ALA 180 Cb 0.54 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1fag h ALA 180 CO 0.03 -0.35 0.05 -0.07 0.00 0.00 0.00 179.25 178.91 1fag h LEU 181 N 0.18 0.17 -1.15 0.00 3.38 -1.09 -0.07 115.31 116.74 1fag h LEU 181 Ca 0.06 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1fag h LEU 181 Cb -0.01 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1fag h LEU 181 CO -0.03 0.29 0.58 -0.78 0.09 0.00 0.00 178.44 178.59 1fag h ASP 182 N 0.05 0.98 -0.19 -0.43 3.58 -0.66 0.15 116.42 119.90 1fag h ASP 182 Ca 0.04 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 1fag h ASP 182 Cb 0.17 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 1fag h ASP 182 CO -0.00 0.69 0.05 -0.08 -2.88 0.00 0.00 179.24 177.02 1fag h GLU 183 N 1.14 0.29 -0.63 0.28 4.57 -0.40 0.19 114.58 120.03 1fag h GLU 183 Ca 0.34 -0.07 0.11 0.00 -1.18 0.00 0.00 59.36 58.56 1fag h GLU 183 Cb -0.05 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.42 1fag h GLU 183 CO -0.09 0.41 0.18 0.00 -1.18 0.00 0.00 179.01 178.33 1fag h ALA 184 N 0.87 0.79 -0.43 2.92 0.00 0.10 -0.53 119.26 122.99 1fag h ALA 184 Ca 0.06 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1fag h ALA 184 Cb 0.24 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1fag h ALA 184 CO -0.00 -0.26 -0.11 1.98 0.00 0.00 0.00 179.25 180.86 1fag h MET 185 N 0.33 0.77 -0.23 0.00 1.85 -0.30 -3.00 114.93 114.34 1fag h MET 185 Ca 0.33 -0.25 -0.13 0.00 -0.61 0.00 0.00 59.70 59.04 1fag h MET 185 Cb 0.47 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.43 1fag h MET 185 CO -0.38 0.85 -0.41 -0.91 -0.40 0.00 0.00 176.91 175.66 1fag h ASN 186 N 0.69 0.57 -0.40 1.39 2.35 0.24 -3.06 115.58 117.36 1fag h ASN 186 Ca 0.12 -0.25 0.09 0.00 -0.55 0.00 0.00 56.30 55.71 1fag h ASN 186 Cb 0.59 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1fag h ASN 186 CO 0.04 0.91 0.28 0.11 -1.65 0.00 0.00 177.43 177.12 1fag h LYS 187 N 0.44 0.13 0.00 0.81 1.57 -1.00 -1.23 116.57 117.29 1fag h LYS 187 Ca 0.04 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1fag h LYS 187 Cb 0.90 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1fag h LYS 187 CO 0.08 0.08 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.83 1fag h LEU 188 N 0.13 0.00 0.00 2.94 3.38 -1.58 -3.12 115.31 117.06 1fag h LEU 188 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1fag h LEU 188 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1fag h LEU 188 CO -0.02 0.14 -1.02 0.00 0.09 0.00 0.00 178.44 177.63 1fag n GLN 189 N -4.13 0.99 -1.99 1.13 6.02 -0.49 -4.95 117.38 113.95 1fag n GLN 189 Ca -0.02 -0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 56.51 1fag n GLN 189 Cb 0.22 -1.36 -0.03 0.00 1.02 0.00 0.00 30.24 30.09 1fag n GLN 189 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1fag s ARG 190 N -2.79 3.85 0.07 -1.09 0.52 -1.05 -4.86 118.95 113.60 1fag s ARG 190 Ca 0.04 1.92 -0.20 0.00 -0.52 0.00 0.00 55.73 56.98 1fag s ARG 190 Cb 0.13 -4.07 -0.11 0.00 0.52 0.00 0.00 34.95 31.43 1fag s ARG 190 CO 0.74 -1.24 1.49 0.00 0.02 0.00 0.00 175.30 176.32 1fag h ALA 191 N 10.87 0.26 -3.17 2.13 0.00 -1.92 -3.38 119.26 124.05 1fag h ALA 191 Ca -0.37 -0.21 -0.69 0.00 0.00 0.00 0.00 54.91 53.63 1fag h ALA 191 Cb 1.18 -0.07 -0.35 0.00 0.00 0.00 0.00 17.79 18.54 1fag h ALA 191 CO 0.98 -0.02 -0.40 0.54 0.00 0.00 0.00 179.25 180.35 1fag s ASN 192 N -5.86 5.21 0.13 0.00 6.03 -1.26 -5.01 114.94 114.17 1fag s ASN 192 Ca -0.14 -2.73 -0.26 0.00 -1.03 0.00 0.00 52.86 48.70 1fag s ASN 192 Cb 0.06 -1.84 -0.04 0.00 -3.03 0.00 0.00 41.25 36.40 1fag s ASN 192 CO 0.73 -0.39 1.63 -0.65 -2.03 0.00 0.00 177.10 176.39 1fag h PRO 193 N 7.17 -0.39 -0.84 3.55 0.11 -1.97 -2.79 132.00 136.84 1fag h PRO 193 Ca -0.04 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1fag h PRO 193 Cb 0.96 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1fag h PRO 193 CO 0.71 -0.26 0.00 -0.25 -0.21 0.00 0.00 178.00 177.99 1fag n ASP 194 N -5.38 1.71 -4.74 -2.05 8.00 -1.26 -4.70 116.55 108.12 1fag n ASP 194 Ca -0.04 -2.15 -0.37 0.00 0.71 0.00 0.00 54.79 52.94 1fag n ASP 194 Cb 0.30 -0.48 0.06 0.00 -0.02 0.00 0.00 41.12 40.97 1fag n ASP 194 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1fag s ASP 195 N -0.23 4.75 0.15 -2.24 2.15 -1.06 -4.90 116.67 115.30 1fag s ASP 195 Ca 0.09 2.56 -0.31 0.00 0.43 0.00 0.00 52.55 55.32 1fag s ASP 195 Cb 0.07 -2.61 -0.06 0.00 -0.30 0.00 0.00 42.92 40.02 1fag s ASP 195 CO 0.03 -1.90 1.55 -0.65 -0.17 0.00 0.00 175.17 174.03 1fag h PRO 196 N 0.62 -0.16 -0.71 4.34 0.11 -1.90 -2.79 132.00 131.51 1fag h PRO 196 Ca -0.51 0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.72 1fag h PRO 196 Cb 1.33 0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.36 1fag h PRO 196 CO 0.54 -0.10 -0.30 0.00 -0.21 0.00 0.00 178.00 177.93 1fag n ALA 197 N -3.19 -0.14 0.32 -0.75 0.00 -1.26 -1.13 120.51 114.36 1fag n ALA 197 Ca 0.00 0.69 0.20 0.00 0.00 0.00 0.00 53.44 54.34 1fag n ALA 197 Cb 0.30 -0.29 1.06 0.00 0.00 0.00 0.00 19.45 20.53 1fag n ALA 197 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1fag h TYR 198 N 0.00 0.00 -0.93 0.00 0.05 -1.77 -3.03 116.97 111.29 1fag h TYR 198 Ca 0.23 0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.07 1fag h TYR 198 Cb 0.41 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.08 1fag h TYR 198 CO -0.64 0.01 0.61 -0.44 -1.05 0.00 0.00 178.16 176.65 1fag h ASP 199 N 0.00 0.94 -0.07 3.88 3.32 -1.25 0.37 116.42 123.62 1fag h ASP 199 Ca -0.00 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1fag h ASP 199 Cb 0.11 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1fag h ASP 199 CO 0.00 0.61 0.04 -0.08 -1.72 0.00 0.00 179.24 178.09 1fag h GLU 200 N 1.07 0.09 -0.62 3.56 4.57 -1.71 -0.54 114.58 121.00 1fag h GLU 200 Ca 0.40 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.60 1fag h GLU 200 Cb 0.18 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1fag h GLU 200 CO -0.15 0.10 0.41 -0.91 -1.18 0.00 0.00 179.01 177.27 1fag h ASN 201 N 0.06 0.65 -0.22 1.04 2.35 -1.18 -0.15 115.58 118.13 1fag h ASN 201 Ca 0.02 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1fag h ASN 201 Cb 0.03 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1fag h ASN 201 CO -0.00 0.45 0.04 0.11 -1.65 0.00 0.00 177.43 176.38 1fag h LYS 202 N 0.75 0.36 -0.11 0.81 1.57 0.26 0.64 116.57 120.86 1fag h LYS 202 Ca 0.24 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1fag h LYS 202 Cb 0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1fag h LYS 202 CO -0.06 0.50 0.07 -0.09 -0.57 0.00 0.00 179.45 179.29 1fag h ARG 203 N 0.17 0.15 -0.51 3.15 2.43 -0.08 -2.51 114.38 117.19 1fag h ARG 203 Ca 0.07 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1fag h ARG 203 Cb 0.31 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 1fag h ARG 203 CO 0.00 0.13 0.16 0.37 -1.51 0.00 0.00 179.97 179.13 1fag h GLN 204 N 0.12 0.32 0.18 0.20 5.75 -0.90 -1.59 115.11 119.20 1fag h GLN 204 Ca 0.04 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1fag h GLN 204 Cb 0.02 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.46 1fag h GLN 204 CO -0.01 0.21 -0.44 0.35 -2.65 0.00 0.00 178.83 176.30 1fag h PHE 205 N 0.33 -1.24 -0.78 3.99 3.57 -0.53 -0.38 116.94 121.91 1fag h PHE 205 Ca 0.25 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.90 1fag h PHE 205 Cb 0.29 0.52 -0.09 0.00 2.79 0.00 0.00 35.95 39.46 1fag h PHE 205 CO -0.18 -0.55 0.38 1.96 -2.23 0.00 0.00 178.31 177.69 1fag h GLN 206 N -0.71 0.56 -0.27 1.11 1.08 -1.15 0.17 115.11 115.89 1fag h GLN 206 Ca 0.01 -0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.23 1fag h GLN 206 Cb 0.71 -0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.96 1fag h GLN 206 CO -0.22 0.37 -0.13 1.49 -0.95 0.00 0.00 178.83 179.40 1fag h GLU 207 N 0.58 -0.09 -0.25 1.46 4.81 -0.30 0.56 114.58 121.35 1fag h GLU 207 Ca 0.41 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.53 1fag h GLU 207 Cb 0.54 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1fag h GLU 207 CO -0.34 -0.06 -0.33 -0.44 -0.73 0.00 0.00 179.01 177.12 1fag h ASP 208 N -0.09 0.55 -0.17 1.04 3.32 0.61 -1.98 116.42 119.70 1fag h ASP 208 Ca 0.14 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1fag h ASP 208 Cb 0.31 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1fag h ASP 208 CO -0.33 0.84 0.11 0.40 -1.72 0.00 0.00 179.24 178.53 1fag h ILE 209 N 0.45 1.05 -0.39 0.35 2.04 0.32 -2.01 117.51 119.33 1fag h ILE 209 Ca 0.05 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.87 1fag h ILE 209 Cb 0.79 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 1fag h ILE 209 CO 0.06 0.05 0.03 0.11 0.00 0.00 0.00 178.15 178.40 1fag h LYS 210 N 0.22 0.13 -0.47 2.37 1.57 -0.61 -0.92 116.57 118.87 1fag h LYS 210 Ca 0.06 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.91 1fag h LYS 210 Cb -0.01 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.20 1fag h LYS 210 CO -0.01 0.09 0.07 0.28 -0.57 0.00 0.00 179.45 179.30 1fag h VAL 211 N 0.14 0.71 -0.16 0.50 2.07 -1.08 0.28 116.25 118.71 1fag h VAL 211 Ca 0.19 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.69 1fag h VAL 211 Cb 0.26 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1fag h VAL 211 CO -0.29 0.03 -0.13 0.24 0.02 0.00 0.00 177.57 177.44 1fag h MET 212 N 0.19 -0.13 -0.17 1.57 2.86 -0.47 -1.43 114.93 117.35 1fag h MET 212 Ca 0.23 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.82 1fag h MET 212 Cb 0.32 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1fag h MET 212 CO -0.33 -0.09 -0.16 -0.91 1.06 0.00 0.00 176.91 176.48 1fag h ASN 213 N -0.14 0.27 -0.49 1.22 2.35 -0.23 -2.06 115.58 116.50 1fag h ASN 213 Ca 0.10 -0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1fag h ASN 213 Cb 0.29 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 1fag h ASN 213 CO -0.24 0.46 0.29 0.44 -1.65 0.00 0.00 177.43 176.72 1fag h ASP 214 N 0.26 0.46 -0.43 5.81 5.19 0.56 -0.02 116.42 128.25 1fag h ASP 214 Ca 0.05 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1fag h ASP 214 Cb 0.45 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 1fag h ASP 214 CO 0.03 0.33 0.25 0.25 -3.12 0.00 0.00 179.24 176.97 1fag h LEU 215 N 0.57 0.53 -0.19 1.55 5.85 -0.70 -1.43 115.31 121.48 1fag h LEU 215 Ca 0.20 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.90 1fag h LEU 215 Cb 0.03 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.86 1fag h LEU 215 CO -0.10 0.44 -0.27 0.58 -0.34 0.00 0.00 178.44 178.75 1fag h VAL 216 N 0.57 0.35 -0.95 1.05 2.07 -0.89 0.14 116.25 118.58 1fag h VAL 216 Ca 0.15 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.82 1fag h VAL 216 Cb 0.02 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 30.06 1fag h VAL 216 CO -0.03 0.00 0.60 0.44 0.02 0.00 0.00 177.57 178.61 1fag h ASP 217 N -0.31 0.76 -0.24 0.57 3.32 -0.56 0.14 116.42 120.10 1fag h ASP 217 Ca 0.12 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 1fag h ASP 217 Cb 0.49 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1fag h ASP 217 CO -0.37 0.37 -0.35 0.50 -1.72 0.00 0.00 179.24 177.67 1fag h LYS 218 N 0.79 0.76 -0.19 3.56 3.64 0.06 -0.15 116.57 125.05 1fag h LYS 218 Ca 0.49 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1fag h LYS 218 Cb 0.70 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1fag h LYS 218 CO -0.26 0.99 0.05 0.82 -2.27 0.00 0.00 179.45 178.79 1fag h ILE 219 N 0.64 1.20 0.28 2.00 2.04 0.17 0.37 117.51 124.21 1fag h ILE 219 Ca 0.06 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 1fag h ILE 219 Cb 0.89 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1fag h ILE 219 CO 0.08 0.20 -0.13 0.40 0.00 0.00 0.00 178.15 178.69 1fag h ILE 220 N 0.12 0.77 -0.92 -0.67 2.04 -0.88 -1.58 117.51 116.39 1fag h ILE 220 Ca 0.06 -0.30 0.08 0.00 1.00 0.00 0.00 64.86 65.70 1fag h ILE 220 Cb 0.26 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 1fag h ILE 220 CO -0.00 0.07 0.59 0.00 0.00 0.00 0.00 178.15 178.81 1fag h ALA 221 N 0.15 1.54 -0.58 1.87 0.00 -1.01 -0.52 119.26 120.71 1fag h ALA 221 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1fag h ALA 221 Cb 0.39 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1fag h ALA 221 CO 0.06 0.29 0.30 0.22 0.00 0.00 0.00 179.25 180.13 1fag h ASP 222 N 0.99 0.75 -0.02 0.00 3.58 -0.66 -2.86 116.42 118.20 1fag h ASP 222 Ca 0.41 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 1fag h ASP 222 Cb 0.29 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 1fag h ASP 222 CO -0.17 0.65 0.01 -0.09 -2.88 0.00 0.00 179.24 176.76 1fag h ARG 223 N 0.79 0.03 0.00 0.28 9.65 -0.13 -2.72 114.38 122.28 1fag h ARG 223 Ca 0.20 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 1fag h ARG 223 Cb 0.08 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1fag h ARG 223 CO -0.03 0.07 0.05 1.63 2.80 0.00 0.00 179.97 184.50 1fag n LYS 224 N -5.05 0.07 -3.43 0.20 5.02 -0.45 -3.15 118.16 111.36 1fag n LYS 224 Ca -0.07 0.55 -0.26 0.00 -2.02 0.00 0.00 58.31 56.51 1fag n LYS 224 Cb 0.05 -1.78 -0.09 0.00 -0.02 0.00 0.00 35.03 33.19 1fag n LYS 224 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fag n ALA 225 N -1.60 3.12 -3.57 7.82 0.00 -1.03 -5.08 120.51 120.17 1fag n ALA 225 Ca -0.01 -3.87 -0.06 0.00 0.00 0.00 0.00 53.44 49.50 1fag n ALA 225 Cb 0.07 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 1fag n ALA 225 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1fag s SER 226 N -1.23 -0.22 0.34 0.00 0.15 -1.19 -4.92 113.70 106.64 1fag s SER 226 Ca 0.34 0.06 -0.29 0.00 0.70 0.00 0.00 55.95 56.76 1fag s SER 226 Cb 0.09 0.22 -0.11 0.00 -1.71 0.00 0.00 66.02 64.51 1fag s SER 226 CO -0.12 -0.33 1.42 -0.83 1.20 0.00 0.00 173.24 174.58 1fag s GLY 227 N -2.01 2.86 0.00 9.45 0.00 -1.26 -5.01 107.32 111.34 1fag s GLY 227 Ca 0.07 1.44 0.00 0.00 0.00 0.00 0.00 44.72 46.22 1fag s GLY 227 CO -0.05 2.15 0.00 -2.21 0.00 0.00 0.00 173.10 172.99 1fag n GLU 228 N 0.86 2.09 -1.63 2.90 2.13 -1.26 -4.84 120.64 120.89 1fag n GLU 228 Ca 0.02 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.70 1fag n GLU 228 Cb 0.40 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.07 1fag n GLU 228 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1fag n GLN 229 N 0.00 -0.96 -3.16 5.31 1.13 -1.26 -4.99 117.38 113.44 1fag n GLN 229 Ca 0.00 0.88 -0.41 0.00 -1.94 0.00 0.00 57.00 55.53 1fag n GLN 229 Cb 0.00 -4.99 -0.07 0.00 0.11 0.00 0.00 30.24 25.29 1fag n GLN 229 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1fag s SER 230 N -2.73 6.45 -1.04 1.08 0.01 -1.26 -4.97 113.70 111.25 1fag s SER 230 Ca 0.00 0.39 -0.02 0.00 1.31 0.00 0.00 55.95 57.63 1fag s SER 230 Cb 0.00 -2.31 0.31 0.00 0.21 0.00 0.00 66.02 64.24 1fag s SER 230 CO 0.00 -0.43 1.61 0.47 0.41 0.00 0.00 173.24 175.30 1fag n ASP 231 N 5.77 6.74 -2.41 2.44 8.00 -1.26 -4.63 116.55 131.21 1fag n ASP 231 Ca -0.02 -3.55 -0.04 0.00 0.71 0.00 0.00 54.79 51.89 1fag n ASP 231 Cb 0.49 -1.20 -0.00 0.00 -0.02 0.00 0.00 41.12 40.39 1fag n ASP 231 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1fag n ASP 232 N 0.66 1.51 -0.17 -2.24 5.68 -1.26 -5.01 116.55 115.72 1fag n ASP 232 Ca 0.35 -1.29 -0.02 0.00 -0.50 0.00 0.00 54.79 53.33 1fag n ASP 232 Cb 0.30 0.01 0.08 0.00 -1.14 0.00 0.00 41.12 40.37 1fag n ASP 232 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1fag h LEU 233 N 0.00 0.15 0.32 -2.12 3.38 -1.72 -2.52 115.31 112.80 1fag h LEU 233 Ca -0.05 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1fag h LEU 233 Cb 0.19 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1fag h LEU 233 CO 0.09 0.11 -0.30 0.25 0.09 0.00 0.00 178.44 178.68 1fag h LEU 234 N 0.34 -0.80 -2.08 1.67 5.85 -1.66 0.81 115.31 119.45 1fag h LEU 234 Ca 0.26 0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.06 1fag h LEU 234 Cb 0.31 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1fag h LEU 234 CO -0.28 -0.43 0.02 0.71 -0.34 0.00 0.00 178.44 178.12 1fag h THR 235 N -0.64 0.90 0.00 1.05 1.35 -1.79 -1.06 112.91 112.73 1fag h THR 235 Ca -0.02 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.64 1fag h THR 235 Cb 0.58 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1fag h THR 235 CO -0.05 0.00 -0.90 0.45 -0.25 0.00 0.00 175.52 174.77 1fag h HIS 236 N 0.00 0.38 -0.18 4.73 3.86 -0.89 0.28 115.15 123.33 1fag h HIS 236 Ca 0.01 -0.21 -0.03 0.00 -1.16 0.00 0.00 60.37 58.98 1fag h HIS 236 Cb 0.06 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 1fag h HIS 236 CO 0.00 1.03 -0.02 0.52 0.86 0.00 0.00 177.93 180.32 1fag h MET 237 N 0.14 0.33 -0.06 2.45 2.07 0.32 -0.87 114.93 119.32 1fag h MET 237 Ca -0.05 -0.12 -0.20 0.00 -2.07 0.00 0.00 59.70 57.26 1fag h MET 237 Cb 1.53 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 31.24 1fag h MET 237 CO 0.14 0.57 -0.81 -0.07 1.07 0.00 0.00 176.91 177.81 1fag h LEU 238 N 0.06 0.54 0.00 1.22 3.38 -1.30 -3.39 115.31 115.82 1fag h LEU 238 Ca 0.05 -0.38 -0.24 0.00 0.09 0.00 0.00 57.88 57.40 1fag h LEU 238 Cb 0.44 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1fag h LEU 238 CO 0.01 1.15 -1.73 0.59 0.09 0.00 0.00 178.44 178.55 1fag n ASN 239 N -3.81 1.94 -4.52 -0.43 5.03 0.09 -4.85 115.26 108.70 1fag n ASN 239 Ca -0.05 0.36 -0.53 0.00 0.87 0.00 0.00 54.58 55.22 1fag n ASN 239 Cb 0.76 -0.80 -0.06 0.00 -1.02 0.00 0.00 39.78 38.66 1fag n ASN 239 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1fag n GLY 240 N 1.37 -0.27 3.61 7.41 0.00 -0.33 -4.88 105.19 112.10 1fag n GLY 240 Ca -0.34 0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 1fag n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fag s LYS 241 N -0.17 2.83 0.19 1.61 1.02 -1.26 -4.28 119.74 119.68 1fag s LYS 241 Ca 0.81 -0.50 -0.32 0.00 0.02 0.00 0.00 55.97 55.98 1fag s LYS 241 Cb -1.04 -2.66 -0.11 0.00 -0.52 0.00 0.00 37.83 33.50 1fag s LYS 241 CO 0.54 0.67 1.60 0.34 -0.92 0.00 0.00 175.35 177.58 1fag s ASP 242 N -0.82 6.52 0.31 2.83 2.15 0.04 -4.80 116.67 122.90 1fag s ASP 242 Ca 0.12 2.70 -0.00 0.00 0.43 0.00 0.00 52.55 55.80 1fag s ASP 242 Cb -0.11 -2.60 0.51 0.00 -0.30 0.00 0.00 42.92 40.42 1fag s ASP 242 CO 0.02 -0.86 1.95 -0.65 -0.17 0.00 0.00 175.17 175.45 1fag h PRO 243 N 6.64 1.02 0.04 4.34 0.11 -1.91 1.50 132.00 143.74 1fag h PRO 243 Ca -0.43 -0.06 -0.22 0.00 0.11 0.00 0.00 66.00 65.39 1fag h PRO 243 Cb 1.20 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1fag h PRO 243 CO 0.92 0.67 -1.00 0.93 -0.21 0.00 0.00 178.00 179.31 1fag h GLU 244 N 1.05 0.24 0.00 1.05 5.08 -1.96 -3.37 114.58 116.67 1fag h GLU 244 Ca 0.33 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1fag h GLU 244 Cb 0.02 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1fag h GLU 244 CO -0.10 1.06 -1.33 0.25 -1.00 0.00 0.00 179.01 177.89 1fag n THR 245 N -3.62 0.00 -1.08 1.13 -2.24 -1.15 -4.97 114.28 102.36 1fag n THR 245 Ca -0.05 -0.26 -0.03 0.00 -2.27 0.00 0.00 64.05 61.45 1fag n THR 245 Cb 0.88 0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 69.48 1fag n THR 245 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fag n GLY 246 N 1.75 0.45 3.49 3.38 0.00 0.51 -4.97 105.19 109.80 1fag n GLY 246 Ca -0.01 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1fag n GLY 246 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fag s GLU 247 N -1.58 3.37 0.98 1.61 2.12 -1.22 -4.62 118.70 119.36 1fag s GLU 247 Ca 0.00 -0.57 -0.16 0.00 0.36 0.00 0.00 54.97 54.60 1fag s GLU 247 Cb 0.00 -2.76 0.21 0.00 0.26 0.00 0.00 34.13 31.84 1fag s GLU 247 CO 0.00 0.34 1.32 -2.14 -0.54 0.00 0.00 175.26 174.25 1fag s PRO 248 N 0.06 0.46 0.36 4.30 0.02 -1.26 -0.78 135.00 138.16 1fag s PRO 248 Ca -0.02 -0.43 -0.19 0.00 0.02 0.00 0.00 61.00 60.39 1fag s PRO 248 Cb -0.14 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 1fag s PRO 248 CO 0.03 -2.53 0.84 -0.51 -0.33 0.00 0.00 177.00 174.50 1fag s LEU 249 N -5.96 4.06 0.25 -5.54 1.43 -1.26 -4.88 118.68 106.77 1fag s LEU 249 Ca 0.75 1.51 -0.12 0.00 -1.03 0.00 0.00 54.13 55.23 1fag s LEU 249 Cb -0.04 -4.23 -0.08 0.00 0.03 0.00 0.00 46.19 41.88 1fag s LEU 249 CO 0.53 -0.24 0.62 1.51 0.23 0.00 0.00 176.35 179.01 1fag s ASP 250 N -2.13 6.72 0.30 2.29 -4.77 -1.26 -4.84 116.67 112.98 1fag s ASP 250 Ca 0.56 1.09 0.03 0.00 -3.30 0.00 0.00 52.55 50.92 1fag s ASP 250 Cb -0.11 -2.29 0.76 0.00 -1.09 0.00 0.00 42.92 40.19 1fag s ASP 250 CO 0.16 -0.10 1.60 0.44 0.70 0.00 0.00 175.17 177.98 1fag h ASP 251 N 2.57 -0.25 -0.70 2.11 3.32 -1.97 0.33 116.42 121.83 1fag h ASP 251 Ca -0.47 0.24 0.07 0.00 0.02 0.00 0.00 57.03 56.89 1fag h ASP 251 Cb 1.17 0.39 -0.06 0.00 0.22 0.00 0.00 39.33 41.05 1fag h ASP 251 CO 0.67 -0.28 0.39 -0.33 -1.72 0.00 0.00 179.24 177.97 1fag h GLU 252 N 0.08 0.69 0.03 3.56 5.08 -2.00 -0.58 114.58 121.44 1fag h GLU 252 Ca 0.59 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.69 1fag h GLU 252 Cb 1.23 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1fag h GLU 252 CO -0.80 0.46 -0.99 -0.97 -1.00 0.00 0.00 179.01 175.71 1fag h ASN 253 N 0.71 0.28 -0.57 1.42 -0.73 -0.86 -2.80 115.58 113.04 1fag h ASN 253 Ca 0.32 -0.25 -0.02 0.00 1.87 0.00 0.00 56.30 58.22 1fag h ASN 253 Cb 0.22 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.69 1fag h ASN 253 CO -0.20 1.11 0.29 0.40 -0.37 0.00 0.00 177.43 178.66 1fag h ILE 254 N 0.09 1.20 0.27 2.57 2.04 -0.32 0.19 117.51 123.54 1fag h ILE 254 Ca -0.06 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1fag h ILE 254 Cb 1.66 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1fag h ILE 254 CO 0.15 0.23 -0.13 -0.09 0.00 0.00 0.00 178.15 178.31 1fag h ARG 255 N 0.84 -0.35 -0.95 2.37 2.43 -1.07 -1.78 114.38 115.88 1fag h ARG 255 Ca 0.21 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.59 1fag h ARG 255 Cb 0.08 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.63 1fag h ARG 255 CO -0.03 -0.21 0.60 1.88 -1.51 0.00 0.00 179.97 180.71 1fag h TYR 256 N -0.39 0.81 -0.29 2.20 0.05 -1.04 -0.41 116.97 117.90 1fag h TYR 256 Ca -0.04 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.63 1fag h TYR 256 Cb 0.30 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 1fag h TYR 256 CO -0.05 0.22 -0.38 1.96 -1.05 0.00 0.00 178.16 178.87 1fag h GLN 257 N 0.62 0.68 0.63 4.88 1.08 -0.04 -1.23 115.11 121.73 1fag h GLN 257 Ca 0.51 -0.34 -0.03 0.00 -1.45 0.00 0.00 58.65 57.34 1fag h GLN 257 Cb 0.96 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.40 1fag h GLN 257 CO -0.26 0.94 -0.30 0.82 -0.95 0.00 0.00 178.83 179.08 1fag h ILE 258 N 0.56 0.27 -0.42 2.54 2.04 -0.26 0.25 117.51 122.48 1fag h ILE 258 Ca 0.05 -0.26 0.09 0.00 1.00 0.00 0.00 64.86 65.74 1fag h ILE 258 Cb 0.90 0.34 -0.09 0.00 -0.74 0.00 0.00 36.82 37.23 1fag h ILE 258 CO 0.08 0.03 -0.22 0.40 0.00 0.00 0.00 178.15 178.44 1fag h ILE 259 N -1.04 0.38 -0.20 -0.67 2.04 -1.40 0.22 117.51 116.83 1fag h ILE 259 Ca -0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1fag h ILE 259 Cb 0.69 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 1fag h ILE 259 CO 0.14 0.00 -0.21 0.74 0.00 0.00 0.00 178.15 178.82 1fag h THR 260 N -0.14 0.46 0.00 -0.27 2.02 -1.10 0.11 112.91 113.99 1fag h THR 260 Ca 0.20 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.31 1fag h THR 260 Cb 0.45 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1fag h THR 260 CO -0.51 0.00 -0.33 -0.26 0.37 0.00 0.00 175.52 174.79 1fag h PHE 261 N -0.23 0.00 -0.10 3.16 -1.00 -0.17 0.32 116.94 118.92 1fag h PHE 261 Ca 0.12 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.86 1fag h PHE 261 Cb 0.42 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 1fag h PHE 261 CO -0.35 0.33 -0.11 -0.07 -1.61 0.00 0.00 178.31 176.50 1fag h LEU 262 N 0.00 0.27 0.00 1.54 3.38 0.51 -0.76 115.31 120.25 1fag h LEU 262 Ca -0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1fag h LEU 262 Cb 0.68 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1fag h LEU 262 CO 0.04 0.71 0.00 -0.38 0.09 0.00 0.00 178.44 178.90 1fag n ILE 263 N -4.63 0.00 0.19 1.22 5.41 0.26 -3.71 119.36 118.10 1fag n ILE 263 Ca -0.07 0.79 0.18 0.00 1.00 0.00 0.00 62.75 64.65 1fag n ILE 263 Cb 0.34 -1.69 0.82 0.00 -0.71 0.00 0.00 39.64 38.40 1fag n ILE 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1fag h ALA 264 N -2.00 1.80 -0.41 -1.39 0.00 -0.52 -2.01 119.26 114.72 1fag h ALA 264 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fag h ALA 264 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1fag h ALA 264 CO 0.00 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.25 1fag n GLY 265 N -1.39 1.52 0.03 0.00 0.00 -0.29 -4.53 105.19 100.54 1fag n GLY 265 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1fag n GLY 265 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1fag n HIS 266 N 0.66 -0.01 0.08 1.61 1.44 -0.78 -4.73 115.22 113.50 1fag n HIS 266 Ca 0.15 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.73 1fag n HIS 266 Cb 0.52 0.01 -0.08 0.00 0.12 0.00 0.00 29.99 30.56 1fag n HIS 266 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1fag h GLU 267 N 0.00 -0.17 -0.92 -1.40 4.57 -1.73 -2.37 114.58 112.56 1fag h GLU 267 Ca 0.00 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1fag h GLU 267 Cb 0.00 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.58 1fag h GLU 267 CO 0.00 0.06 0.60 1.79 -1.18 0.00 0.00 179.01 180.28 1fag h THR 268 N -0.39 1.18 0.27 0.32 1.35 -1.82 -1.67 112.91 112.16 1fag h THR 268 Ca -0.02 -0.40 -0.01 0.00 -0.55 0.00 0.00 66.41 65.42 1fag h THR 268 Cb 0.31 -0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.63 1fag h THR 268 CO 0.03 0.22 -0.13 0.74 -0.25 0.00 0.00 175.52 176.12 1fag h THR 269 N 1.18 0.77 -0.97 6.82 2.02 -1.86 -1.33 112.91 119.54 1fag h THR 269 Ca 0.35 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 67.27 1fag h THR 269 Cb -0.04 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 1fag h THR 269 CO -0.10 0.06 0.64 0.77 0.37 0.00 0.00 175.52 177.26 1fag h SER 270 N -0.50 1.12 -0.70 4.18 4.64 -1.24 0.18 113.55 121.21 1fag h SER 270 Ca -0.04 -0.03 0.08 0.00 -0.47 0.00 0.00 61.79 61.33 1fag h SER 270 Cb 0.38 -0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 62.12 1fag h SER 270 CO 0.06 0.81 0.37 1.23 -0.87 0.00 0.00 176.83 178.43 1fag h GLY 271 N 1.31 1.05 0.86 -0.77 0.00 -1.16 0.16 103.07 104.52 1fag h GLY 271 Ca 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1fag h GLY 271 CO -0.08 0.11 -0.21 -2.00 0.00 0.00 0.00 176.54 174.36 1fag h LEU 272 N 0.65 -0.53 -1.33 3.11 5.85 0.14 0.12 115.31 123.31 1fag h LEU 272 Ca 0.33 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 1fag h LEU 272 Cb 0.29 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1fag h LEU 272 CO -0.23 -0.33 0.32 -0.07 -0.34 0.00 0.00 178.44 177.79 1fag h LEU 273 N -0.50 0.68 0.03 2.25 3.38 -0.38 0.45 115.31 121.22 1fag h LEU 273 Ca -0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1fag h LEU 273 Cb 0.43 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1fag h LEU 273 CO 0.01 0.55 -0.02 0.28 0.09 0.00 0.00 178.44 179.35 1fag h SER 274 N 0.78 -0.04 -0.24 -0.43 0.02 -0.26 -1.53 113.55 111.85 1fag h SER 274 Ca 0.20 -0.30 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1fag h SER 274 Cb 0.01 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1fag h SER 274 CO -0.03 0.29 0.13 -0.26 -1.14 0.00 0.00 176.83 175.81 1fag h PHE 275 N -0.36 0.24 -0.09 3.45 0.04 -0.70 -0.54 116.94 118.97 1fag h PHE 275 Ca -0.00 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.82 1fag h PHE 275 Cb 0.34 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.36 1fag h PHE 275 CO 0.03 0.14 -0.26 0.00 -0.60 0.00 0.00 178.31 177.62 1fag h ALA 276 N 1.12 -0.29 -0.68 2.45 0.00 -0.86 -0.57 119.26 120.43 1fag h ALA 276 Ca 0.10 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1fag h ALA 276 Cb 0.01 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1fag h ALA 276 CO -0.06 -0.74 0.45 1.25 0.00 0.00 0.00 179.25 180.16 1fag h LEU 277 N -0.35 0.74 0.28 0.00 5.85 -1.08 0.52 115.31 121.27 1fag h LEU 277 Ca 0.09 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1fag h LEU 277 Cb 0.48 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1fag h LEU 277 CO -0.29 0.52 -0.19 0.22 -0.34 0.00 0.00 178.44 178.36 1fag h TYR 278 N 0.87 -0.51 -0.34 1.25 3.20 0.25 -0.74 116.97 120.96 1fag h TYR 278 Ca 0.26 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 1fag h TYR 278 Cb -0.02 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1fag h TYR 278 CO -0.00 -0.30 -0.03 0.74 -1.64 0.00 0.00 178.16 176.94 1fag h PHE 279 N -0.47 0.56 -0.00 -3.82 0.04 -0.28 0.51 116.94 113.48 1fag h PHE 279 Ca -0.02 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 1fag h PHE 279 Cb 0.40 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 1fag h PHE 279 CO -0.11 0.56 0.00 -0.07 -0.60 0.00 0.00 178.31 178.09 1fag h LEU 280 N 0.51 0.00 -0.70 1.54 3.38 -0.58 0.31 115.31 119.77 1fag h LEU 280 Ca 0.11 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1fag h LEU 280 Cb 0.37 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1fag h LEU 280 CO 0.01 0.05 0.46 0.58 0.09 0.00 0.00 178.44 179.63 1fag h VAL 281 N -0.05 1.16 0.00 1.22 2.07 -0.79 -1.80 116.25 118.06 1fag h VAL 281 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1fag h VAL 281 Cb 0.05 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1fag h VAL 281 CO -0.00 0.17 0.00 0.11 0.02 0.00 0.00 177.57 177.87 1fag h LYS 282 N 0.92 0.00 -2.37 1.57 1.79 -0.49 -3.34 116.57 114.66 1fag h LYS 282 Ca 0.26 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 58.14 1fag h LYS 282 Cb -0.08 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.17 1fag h LYS 282 CO -0.07 0.00 -0.81 0.09 -1.08 0.00 0.00 179.45 177.58 1fag n ASN 283 N -2.68 1.71 -0.32 0.86 3.02 0.11 -4.99 115.26 112.96 1fag n ASN 283 Ca 0.03 -2.96 0.19 0.00 -0.03 0.00 0.00 54.58 51.82 1fag n ASN 283 Cb 0.37 -0.66 0.40 0.00 -0.61 0.00 0.00 39.78 39.29 1fag n ASN 283 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1fag h PRO 284 N 4.69 0.29 -0.12 3.52 0.13 -1.65 -0.84 132.00 138.03 1fag h PRO 284 Ca 0.17 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 65.12 1fag h PRO 284 Cb 0.79 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1fag h PRO 284 CO 0.61 0.19 -0.60 0.45 -0.23 0.00 0.00 178.00 178.42 1fag h HIS 285 N 0.30 0.50 -0.51 1.56 3.86 -1.94 0.42 115.15 119.34 1fag h HIS 285 Ca 0.66 -0.19 -0.13 0.00 -1.16 0.00 0.00 60.37 59.56 1fag h HIS 285 Cb 1.44 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.80 1fag h HIS 285 CO -0.10 0.89 -0.17 0.28 0.86 0.00 0.00 177.93 179.69 1fag h VAL 286 N 0.29 1.27 -0.17 2.45 2.07 -1.53 -0.27 116.25 120.36 1fag h VAL 286 Ca -0.00 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1fag h VAL 286 Cb 1.13 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1fag h VAL 286 CO 0.10 0.47 0.11 0.25 0.02 0.00 0.00 177.57 178.52 1fag h LEU 287 N 0.89 0.20 -0.77 2.57 6.46 -0.89 -0.42 115.31 123.34 1fag h LEU 287 Ca 0.12 -0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.96 1fag h LEU 287 Cb 0.75 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 40.56 1fag h LEU 287 CO 0.06 0.14 0.43 -0.61 -0.62 0.00 0.00 178.44 177.85 1fag h GLN 288 N 0.23 0.73 0.89 1.25 4.15 0.46 0.23 115.11 123.06 1fag h GLN 288 Ca 0.06 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 1fag h GLN 288 Cb -0.02 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 27.51 1fag h GLN 288 CO -0.01 0.48 -0.43 0.87 -1.93 0.00 0.00 178.83 177.81 1fag h LYS 289 N 0.75 -1.16 -1.00 1.69 1.57 -0.42 -1.87 116.57 116.13 1fag h LYS 289 Ca 0.36 0.08 0.21 0.00 -1.87 0.00 0.00 60.65 59.43 1fag h LYS 289 Cb 0.31 0.26 -0.11 0.00 0.08 0.00 0.00 32.23 32.77 1fag h LYS 289 CO -0.23 -0.77 0.61 0.00 -0.57 0.00 0.00 179.45 178.49 1fag h ALA 290 N -1.13 1.75 0.22 3.86 0.00 -0.47 -0.70 119.26 122.78 1fag h ALA 290 Ca -0.12 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1fag h ALA 290 Cb 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1fag h ALA 290 CO 0.20 -0.15 -0.11 0.00 0.00 0.00 0.00 179.25 179.20 1fag h ALA 291 N 1.66 -0.30 -0.50 0.00 0.00 -0.30 -0.78 119.26 119.05 1fag h ALA 291 Ca 0.59 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 1fag h ALA 291 Cb 1.01 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1fag h ALA 291 CO -0.39 -0.65 0.22 1.05 0.00 0.00 0.00 179.25 179.48 1fag h GLU 292 N -0.33 0.73 -0.44 0.00 -0.00 -0.51 0.12 114.58 114.15 1fag h GLU 292 Ca -0.03 -0.12 0.09 0.00 -0.00 0.00 0.00 59.36 59.30 1fag h GLU 292 Cb 0.25 -0.12 -0.09 0.00 -0.00 0.00 0.00 28.75 28.79 1fag h GLU 292 CO 0.05 0.63 -0.18 1.49 -0.00 0.00 0.00 179.01 180.99 1fag h GLU 293 N 0.66 -0.09 0.27 1.06 4.22 -0.95 0.17 114.58 119.92 1fag h GLU 293 Ca 0.17 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.60 1fag h GLU 293 Cb 0.15 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1fag h GLU 293 CO -0.02 -0.06 -0.13 0.00 -2.18 0.00 0.00 179.01 176.62 1fag h ALA 294 N 1.25 -0.37 -1.11 2.92 0.00 -0.81 -2.57 119.26 118.57 1fag h ALA 294 Ca 0.21 -0.15 0.36 0.00 0.00 0.00 0.00 54.91 55.34 1fag h ALA 294 Cb 0.42 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.21 1fag h ALA 294 CO -0.50 -0.61 0.67 0.00 0.00 0.00 0.00 179.25 178.81 1fag h ALA 295 N 0.10 2.26 0.00 0.00 0.00 0.76 0.10 119.26 122.48 1fag h ALA 295 Ca -0.04 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1fag h ALA 295 Cb 0.41 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1fag h ALA 295 CO 0.06 -0.87 -1.49 2.89 0.00 0.00 0.00 179.25 179.84 1fag n ARG 296 N -4.91 0.63 0.10 0.00 1.85 -0.10 -4.35 116.66 109.87 1fag n ARG 296 Ca 0.33 0.15 -0.22 0.00 -1.00 0.00 0.00 57.85 57.11 1fag n ARG 296 Cb 1.15 -1.76 -0.15 0.00 -1.05 0.00 0.00 32.46 30.65 1fag n ARG 296 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1fag h VAL 297 N 0.00 1.14 -1.14 8.89 2.07 -0.71 -3.38 116.25 123.12 1fag h VAL 297 Ca -0.15 -2.67 -0.74 0.00 0.82 0.00 0.00 66.70 63.96 1fag h VAL 297 Cb 1.49 2.89 -0.13 0.00 -1.52 0.00 0.00 31.29 34.02 1fag h VAL 297 CO 0.03 0.84 2.34 0.18 0.02 0.00 0.00 177.57 180.98 1fag n LEU 298 N -3.62 7.30 0.14 2.57 4.77 -0.14 -4.70 117.00 123.33 1fag n LEU 298 Ca -0.19 -4.69 0.00 0.00 -0.03 0.00 0.00 56.01 51.10 1fag n LEU 298 Cb 1.08 -1.45 0.29 0.00 -2.33 0.00 0.00 43.42 41.01 1fag n LEU 298 CO 0.55 1.65 0.70 -0.37 -1.33 0.00 0.00 177.39 178.59 1fag h VAL 299 N 3.30 1.29 -3.60 4.08 -1.51 -1.82 -3.44 116.25 114.55 1fag h VAL 299 Ca 0.54 -1.37 -0.51 0.00 -1.23 0.00 0.00 66.70 64.13 1fag h VAL 299 Cb 0.49 1.66 -0.03 0.00 -2.13 0.00 0.00 31.29 31.28 1fag h VAL 299 CO 1.60 0.40 0.08 -1.81 -1.23 0.00 0.00 177.57 176.61 1fag s ASP 300 N -6.90 6.90 0.50 4.19 1.01 -1.26 -4.95 116.67 116.16 1fag s ASP 300 Ca -0.04 1.31 0.21 0.00 0.71 0.00 0.00 52.55 54.74 1fag s ASP 300 Cb 0.14 -2.38 1.28 0.00 1.01 0.00 0.00 42.92 42.97 1fag s ASP 300 CO 0.75 -0.06 2.00 1.55 0.21 0.00 0.00 175.17 179.62 1fag h PRO 301 N 2.92 0.11 -4.43 8.23 0.13 -1.88 -3.34 132.00 133.74 1fag h PRO 301 Ca -0.48 -0.01 -0.61 0.00 -0.87 0.00 0.00 66.00 64.03 1fag h PRO 301 Cb 1.18 -0.03 -0.38 0.00 0.13 0.00 0.00 31.00 31.91 1fag h PRO 301 CO 0.66 0.08 -0.79 0.08 -0.23 0.00 0.00 178.00 177.79 1fag s VAL 302 N -5.13 1.58 0.46 1.56 1.01 -1.26 -4.70 120.40 113.91 1fag s VAL 302 Ca -0.06 -1.16 -0.22 0.00 0.00 0.00 0.00 61.98 60.53 1fag s VAL 302 Cb 0.19 -1.78 -0.10 0.00 0.00 0.00 0.00 36.38 34.69 1fag s VAL 302 CO 0.73 -0.02 0.80 -2.65 0.00 0.00 0.00 175.10 173.97 1fag n PRO 303 N 4.67 0.95 -3.80 2.72 -0.02 -1.26 -5.05 135.00 133.21 1fag n PRO 303 Ca -0.13 0.35 -0.21 0.00 -2.02 0.00 0.00 63.50 61.49 1fag n PRO 303 Cb 0.45 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 1fag n PRO 303 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1fag s SER 304 N -0.91 5.33 0.28 2.55 1.04 -1.26 -4.97 113.70 115.75 1fag s SER 304 Ca 0.65 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.62 1fag s SER 304 Cb -0.55 -1.00 0.55 0.00 0.10 0.00 0.00 66.02 65.12 1fag s SER 304 CO 0.56 -0.35 1.83 0.22 0.98 0.00 0.00 173.24 176.47 1fag h TYR 305 N 1.23 1.10 0.29 5.02 3.20 -1.96 -0.86 116.97 124.98 1fag h TYR 305 Ca -0.45 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.44 1fag h TYR 305 Cb 1.25 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.18 1fag h TYR 305 CO 0.53 0.42 -0.14 0.87 -1.64 0.00 0.00 178.16 178.19 1fag h LYS 306 N 0.94 -0.38 -0.97 1.82 1.79 -1.99 -2.44 116.57 115.35 1fag h LYS 306 Ca 0.49 0.03 0.19 0.00 -2.18 0.00 0.00 60.65 59.17 1fag h LYS 306 Cb 0.51 0.09 -0.11 0.00 -1.58 0.00 0.00 32.23 31.14 1fag h LYS 306 CO -0.28 -0.06 0.57 1.96 -1.08 0.00 0.00 179.45 180.56 1fag h GLN 307 N -0.71 0.70 -0.46 3.15 4.20 -1.75 0.26 115.11 120.50 1fag h GLN 307 Ca -0.04 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1fag h GLN 307 Cb 0.49 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1fag h GLN 307 CO 0.07 0.46 -0.01 0.28 -0.67 0.00 0.00 178.83 178.96 1fag h VAL 308 N 0.72 1.24 0.00 -0.54 2.07 -1.09 -1.35 116.25 117.29 1fag h VAL 308 Ca 0.56 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1fag h VAL 308 Cb 0.88 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1fag h VAL 308 CO -0.39 0.35 -0.01 0.11 0.02 0.00 0.00 177.57 177.65 1fag h LYS 309 N 0.72 0.00 -0.00 1.57 1.79 -0.03 -2.48 116.57 118.13 1fag h LYS 309 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1fag h LYS 309 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1fag h LYS 309 CO 0.02 0.01 -0.29 1.04 -1.08 0.00 0.00 179.45 179.15 1fag n GLN 310 N -3.10 0.50 -1.51 3.15 6.02 -0.52 -4.50 117.38 117.42 1fag n GLN 310 Ca 0.00 -0.26 -0.40 0.00 -0.01 0.00 0.00 57.00 56.33 1fag n GLN 310 Cb 0.28 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.03 1fag n GLN 310 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1fag n LEU 311 N -1.02 8.05 0.00 1.08 4.77 -0.94 -4.75 117.00 124.19 1fag n LEU 311 Ca 0.10 -4.32 -0.14 0.00 -0.03 0.00 0.00 56.01 51.61 1fag n LEU 311 Cb 0.33 -1.58 -0.09 0.00 -2.33 0.00 0.00 43.42 39.75 1fag n LEU 311 CO 0.28 1.73 0.53 0.07 -1.33 0.00 0.00 177.39 178.68 1fag h LYS 312 N 5.34 -0.55 -0.41 3.23 2.10 -1.85 -2.65 116.57 121.78 1fag h LYS 312 Ca 0.75 0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 59.41 1fag h LYS 312 Cb 0.41 0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 31.85 1fag h LYS 312 CO 1.80 -0.37 0.12 -0.92 -2.00 0.00 0.00 179.45 178.09 1fag h TYR 313 N -0.57 0.67 -0.31 0.07 3.20 -1.97 -2.56 116.97 115.50 1fag h TYR 313 Ca 0.04 -0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.88 1fag h TYR 313 Cb 0.68 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1fag h TYR 313 CO -0.55 0.62 0.21 -0.39 -1.64 0.00 0.00 178.16 176.41 1fag h VAL 314 N 0.52 0.99 -0.53 1.81 -1.51 -1.88 0.22 116.25 115.88 1fag h VAL 314 Ca 0.13 -0.09 -0.08 0.00 -1.23 0.00 0.00 66.70 65.43 1fag h VAL 314 Cb 0.27 0.70 -0.02 0.00 -2.13 0.00 0.00 31.29 30.11 1fag h VAL 314 CO -0.00 0.05 -0.00 1.23 -1.23 0.00 0.00 177.57 177.62 1fag h GLY 315 N 0.27 0.96 1.01 5.19 0.00 -1.13 -1.03 103.07 108.33 1fag h GLY 315 Ca 0.13 -0.66 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 1fag h GLY 315 CO -0.03 0.61 0.11 -0.33 0.00 0.00 0.00 176.54 176.90 1fag h MET 316 N 0.82 0.92 -0.19 4.80 2.07 -0.27 -1.74 114.93 121.34 1fag h MET 316 Ca 0.16 -0.24 0.04 0.00 -2.07 0.00 0.00 59.70 57.59 1fag h MET 316 Cb 0.49 -0.11 -0.05 0.00 -1.87 0.00 0.00 31.60 30.06 1fag h MET 316 CO 0.02 0.88 -0.09 0.28 1.07 0.00 0.00 176.91 179.07 1fag h VAL 317 N 0.82 0.70 -0.38 -2.22 2.07 -0.39 0.28 116.25 117.13 1fag h VAL 317 Ca 0.17 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.77 1fag h VAL 317 Cb 0.39 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1fag h VAL 317 CO 0.01 0.00 -0.07 -0.07 0.02 0.00 0.00 177.57 177.46 1fag h LEU 318 N -0.07 -0.31 -1.08 2.57 4.07 -0.77 0.57 115.31 120.30 1fag h LEU 318 Ca 0.11 0.11 -0.09 0.00 0.08 0.00 0.00 57.88 58.08 1fag h LEU 318 Cb 0.23 0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 1fag h LEU 318 CO -0.24 -0.11 -0.37 0.78 -1.08 0.00 0.00 178.44 177.42 1fag h ASN 319 N 0.02 0.16 0.30 -0.43 2.35 -0.88 0.27 115.58 117.37 1fag h ASN 319 Ca 0.18 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1fag h ASN 319 Cb 0.28 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1fag h ASN 319 CO -0.37 0.53 -0.14 -0.08 -1.65 0.00 0.00 177.43 175.71 1fag h GLU 320 N 0.14 -0.39 -0.59 0.81 4.22 0.21 0.66 114.58 119.64 1fag h GLU 320 Ca 0.01 0.03 0.08 0.00 0.08 0.00 0.00 59.36 59.56 1fag h GLU 320 Cb 0.73 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.00 1fag h GLU 320 CO 0.05 -0.10 0.24 0.00 -2.18 0.00 0.00 179.01 177.03 1fag h ALA 321 N -0.07 0.76 0.00 2.92 0.00 -0.75 0.50 119.26 122.62 1fag h ALA 321 Ca -0.04 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1fag h ALA 321 Cb 0.47 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1fag h ALA 321 CO 0.07 -0.16 -0.05 1.25 0.00 0.00 0.00 179.25 180.36 1fag h LEU 322 N 0.44 0.00 0.10 0.00 5.85 -0.05 0.97 115.31 122.62 1fag h LEU 322 Ca 0.29 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 1fag h LEU 322 Cb 0.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1fag h LEU 322 CO -0.27 0.05 -0.05 -0.09 -0.34 0.00 0.00 178.44 177.75 1fag h ARG 323 N 0.00 -0.13 -0.29 1.25 2.43 0.53 -3.17 114.38 115.00 1fag h ARG 323 Ca -0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1fag h ARG 323 Cb 0.20 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1fag h ARG 323 CO 0.01 0.18 0.15 -0.07 -1.51 0.00 0.00 179.97 178.73 1fag h LEU 324 N -0.99 0.37 -6.97 3.80 -0.00 -0.92 -3.38 115.31 107.21 1fag h LEU 324 Ca -0.01 -0.10 -0.62 0.00 -0.00 0.00 0.00 57.88 57.15 1fag h LEU 324 Cb 0.37 -0.09 -0.41 0.00 -0.00 0.00 0.00 40.66 40.52 1fag h LEU 324 CO 0.02 0.36 -0.68 0.26 -0.00 0.00 0.00 178.44 178.40 1fag s TRP 325 N -5.82 2.80 -0.20 1.13 0.23 0.31 -4.85 118.94 112.53 1fag s TRP 325 Ca -0.13 -2.98 -0.29 0.00 -2.03 0.00 0.00 56.10 50.67 1fag s TRP 325 Cb 0.09 -2.25 -0.02 0.00 0.03 0.00 0.00 33.47 31.32 1fag s TRP 325 CO 0.72 -0.66 1.43 -1.25 0.96 0.00 0.00 176.95 178.15 1fag s PRO 326 N -0.72 4.01 0.39 4.98 0.04 -1.20 -4.50 135.00 137.99 1fag s PRO 326 Ca 0.24 1.62 0.15 0.00 0.04 0.00 0.00 61.00 63.05 1fag s PRO 326 Cb -0.09 -3.91 1.00 0.00 0.04 0.00 0.00 34.50 31.54 1fag s PRO 326 CO -0.12 -1.02 1.82 1.79 0.04 0.00 0.00 177.00 179.51 1fag h THR 327 N 5.83 0.67 -3.64 1.26 1.35 -1.86 -2.81 112.91 113.70 1fag h THR 327 Ca -0.30 -0.17 -0.75 0.00 -0.55 0.00 0.00 66.41 64.64 1fag h THR 327 Cb 1.13 0.12 -0.30 0.00 -1.73 0.00 0.00 68.15 67.36 1fag h THR 327 CO 0.99 0.09 -0.03 0.00 -0.25 0.00 0.00 175.52 176.33 1fag s ALA 328 N -5.55 4.04 -0.44 6.62 0.00 -1.26 -2.08 121.76 123.09 1fag s ALA 328 Ca -0.09 -3.45 0.09 0.00 0.00 0.00 0.00 51.96 48.51 1fag s ALA 328 Cb 0.24 -3.17 0.48 0.00 0.00 0.00 0.00 23.12 20.67 1fag s ALA 328 CO 0.79 -2.20 1.19 -0.35 0.00 0.00 0.00 175.76 175.19 1fag n PRO 329 N 3.42 0.06 -3.55 0.00 -0.04 -1.06 -4.84 135.00 129.00 1fag n PRO 329 Ca 0.14 0.50 -0.07 0.00 -0.04 0.00 0.00 63.50 64.03 1fag n PRO 329 Cb 0.42 -1.82 -0.03 0.00 -0.04 0.00 0.00 33.50 32.03 1fag n PRO 329 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fag s ALA 330 N -3.12 -1.92 0.03 0.55 0.00 -1.26 -2.17 121.76 113.87 1fag s ALA 330 Ca -0.01 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1fag s ALA 330 Cb 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1fag s ALA 330 CO 0.08 -0.59 -0.04 -0.59 0.00 0.00 0.00 175.76 174.62 1fag s PHE 331 N -2.53 0.40 0.09 0.00 -0.12 -1.22 -4.99 117.98 109.62 1fag s PHE 331 Ca 0.05 -0.60 0.08 0.00 -0.05 0.00 0.00 56.93 56.42 1fag s PHE 331 Cb -0.01 -0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 1fag s PHE 331 CO -0.06 -0.19 -0.18 0.45 -0.05 0.00 0.00 175.22 175.19 1fag s SER 332 N -1.71 3.85 0.28 1.98 0.15 -1.26 -1.05 113.70 115.94 1fag s SER 332 Ca -0.11 -0.52 0.03 0.00 0.70 0.00 0.00 55.95 56.05 1fag s SER 332 Cb -0.07 -0.56 -0.06 0.00 -1.71 0.00 0.00 66.02 63.62 1fag s SER 332 CO -0.02 0.20 0.06 -0.76 1.20 0.00 0.00 173.24 173.92 1fag s LEU 333 N -1.93 1.99 -0.03 3.45 2.01 -0.47 -0.21 118.68 123.49 1fag s LEU 333 Ca 0.17 -1.35 -0.04 0.00 0.01 0.00 0.00 54.13 52.92 1fag s LEU 333 Cb -0.11 -0.22 0.01 0.00 0.01 0.00 0.00 46.19 45.88 1fag s LEU 333 CO 0.09 -0.63 0.10 -0.72 1.01 0.00 0.00 176.35 176.19 1fag s TYR 334 N -3.48 -0.05 -0.38 0.29 1.13 -0.59 -0.97 117.35 113.31 1fag s TYR 334 Ca 0.35 0.12 -0.27 0.00 -1.41 0.00 0.00 57.07 55.86 1fag s TYR 334 Cb 0.08 -0.00 -0.05 0.00 -1.10 0.00 0.00 41.96 40.89 1fag s TYR 334 CO 0.13 -0.12 2.18 0.00 -2.51 0.00 0.00 175.55 175.24 1fag s ALA 335 N -0.40 2.29 0.55 9.51 0.00 0.45 -3.03 121.76 131.12 1fag s ALA 335 Ca -0.05 0.27 0.31 0.00 0.00 0.00 0.00 51.96 52.49 1fag s ALA 335 Cb -0.03 -4.19 1.78 0.00 0.00 0.00 0.00 23.12 20.68 1fag s ALA 335 CO 0.00 -3.50 2.22 -0.22 0.00 0.00 0.00 175.76 174.27 1fag h LYS 336 N 16.36 0.00 -3.35 0.00 3.64 -0.86 0.95 116.57 133.31 1fag h LYS 336 Ca -0.32 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.97 1fag h LYS 336 Cb 1.23 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.89 1fag h LYS 336 CO 1.07 0.03 -0.23 -1.21 -2.27 0.00 0.00 179.45 176.85 1fag s GLU 337 N -4.47 0.86 0.31 1.90 0.41 -1.26 -4.68 118.70 111.77 1fag s GLU 337 Ca -0.04 -0.57 -0.29 0.00 -0.41 0.00 0.00 54.97 53.66 1fag s GLU 337 Cb 0.14 0.37 -0.13 0.00 -1.78 0.00 0.00 34.13 32.74 1fag s GLU 337 CO 0.54 -0.29 1.30 -0.25 -0.49 0.00 0.00 175.26 176.08 1fag n ASP 338 N 0.39 2.64 -0.83 -0.19 9.92 -1.26 -4.41 116.55 122.80 1fag n ASP 338 Ca -0.18 1.19 0.00 0.00 -0.53 0.00 0.00 54.79 55.27 1fag n ASP 338 Cb 0.60 -1.45 0.00 0.00 -0.64 0.00 0.00 41.12 39.63 1fag n ASP 338 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1fag n THR 339 N 0.79 0.00 -3.69 -3.53 5.66 0.47 -4.92 114.28 109.06 1fag n THR 339 Ca 0.07 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.81 1fag n THR 339 Cb 0.34 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.95 1fag n THR 339 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1fag s VAL 340 N -2.82 0.23 0.09 1.08 1.01 -1.26 0.05 120.40 118.78 1fag s VAL 340 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 1fag s VAL 340 Cb 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 36.38 35.58 1fag s VAL 340 CO 0.00 -0.15 1.18 -0.22 0.00 0.00 0.00 175.10 175.91 1fag s LEU 341 N 2.00 4.40 0.00 3.92 2.96 0.38 -3.39 118.68 128.94 1fag s LEU 341 Ca 0.01 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 55.97 1fag s LEU 341 Cb -0.16 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1fag s LEU 341 CO -0.08 -0.42 0.00 0.61 -1.32 0.00 0.00 176.35 175.14 1fag n GLY 342 N 2.93 0.00 2.38 7.98 0.00 -1.26 -0.43 105.19 116.79 1fag n GLY 342 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 1fag n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fag n GLY 343 N 0.65 0.79 0.00 -0.02 0.00 -1.22 -4.74 105.19 100.65 1fag n GLY 343 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1fag n GLY 343 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fag n GLU 344 N -1.99 0.76 -3.61 1.61 1.02 -0.76 -3.87 120.64 113.81 1fag n GLU 344 Ca -0.06 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.68 1fag n GLU 344 Cb 0.30 -0.67 -0.10 0.00 -0.02 0.00 0.00 31.44 30.96 1fag n GLU 344 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1fag s TYR 345 N -1.34 3.37 0.02 -0.32 2.02 0.43 -2.29 117.35 119.24 1fag s TYR 345 Ca 0.00 -1.66 -0.30 0.00 -0.37 0.00 0.00 57.07 54.74 1fag s TYR 345 Cb 0.00 -3.07 -0.05 0.00 -0.40 0.00 0.00 41.96 38.44 1fag s TYR 345 CO 0.00 -0.88 1.27 -2.14 -1.57 0.00 0.00 175.55 172.23 1fag s PRO 346 N 1.39 4.36 -0.09 -1.71 0.02 -1.26 0.14 135.00 137.85 1fag s PRO 346 Ca 0.04 1.82 0.03 0.00 0.02 0.00 0.00 61.00 62.91 1fag s PRO 346 Cb -0.24 -3.46 -0.02 0.00 0.02 0.00 0.00 34.50 30.81 1fag s PRO 346 CO 0.01 -0.41 -0.17 -0.51 -0.33 0.00 0.00 177.00 175.58 1fag s LEU 347 N 1.75 2.50 0.64 -5.54 1.43 0.11 -4.90 118.68 114.67 1fag s LEU 347 Ca 0.60 -0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 1fag s LEU 347 Cb -0.29 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.44 1fag s LEU 347 CO 0.26 0.23 0.95 -1.61 0.23 0.00 0.00 176.35 176.42 1fag s GLU 348 N -0.06 2.58 0.44 1.70 2.02 -1.26 -0.40 118.70 123.71 1fag s GLU 348 Ca -0.04 -0.13 -0.25 0.00 0.02 0.00 0.00 54.97 54.57 1fag s GLU 348 Cb -0.14 -2.22 -0.08 0.00 0.10 0.00 0.00 34.13 31.78 1fag s GLU 348 CO 0.04 -0.96 1.38 0.21 0.02 0.00 0.00 175.26 175.96 1fag s LYS 349 N -5.11 3.76 0.00 1.61 2.20 -1.26 -2.21 119.74 118.72 1fag s LYS 349 Ca 0.57 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 58.50 1fag s LYS 349 Cb -0.11 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.54 1fag s LYS 349 CO 0.45 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 175.12 1fag n GLY 350 N 0.61 0.65 3.69 5.54 0.00 0.33 -4.90 105.19 111.10 1fag n GLY 350 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1fag n GLY 350 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fag s ASP 351 N -2.46 6.89 0.19 1.61 1.11 -0.94 -4.58 116.67 118.48 1fag s ASP 351 Ca 0.00 2.05 -0.30 0.00 0.18 0.00 0.00 52.55 54.48 1fag s ASP 351 Cb 0.00 -2.56 -0.08 0.00 1.07 0.00 0.00 42.92 41.35 1fag s ASP 351 CO 0.00 -0.70 1.06 -1.61 1.18 0.00 0.00 175.17 175.10 1fag s GLU 352 N 2.42 4.65 0.01 8.23 2.02 -1.26 -0.41 118.70 134.35 1fag s GLU 352 Ca 0.62 1.66 0.04 0.00 0.02 0.00 0.00 54.97 57.32 1fag s GLU 352 Cb -0.30 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 30.64 1fag s GLU 352 CO 0.25 0.17 -0.12 -0.51 0.02 0.00 0.00 175.26 175.07 1fag s LEU 353 N -0.55 2.09 -0.10 1.80 1.02 -0.14 -2.76 118.68 120.03 1fag s LEU 353 Ca 0.47 -0.32 0.02 0.00 0.02 0.00 0.00 54.13 54.33 1fag s LEU 353 Cb -0.28 -0.58 0.01 0.00 0.02 0.00 0.00 46.19 45.35 1fag s LEU 353 CO 0.35 0.09 -0.17 -0.32 0.02 0.00 0.00 176.35 176.31 1fag s MET 354 N -0.66 2.36 -0.53 1.70 1.75 0.32 -1.37 119.30 122.86 1fag s MET 354 Ca 0.03 -0.62 -0.18 0.00 -1.25 0.00 0.00 55.69 53.67 1fag s MET 354 Cb -0.06 -1.93 0.09 0.00 2.84 0.00 0.00 34.83 35.77 1fag s MET 354 CO 0.00 0.00 0.59 0.08 -0.65 0.00 0.00 175.02 175.04 1fag s VAL 355 N 0.79 4.98 -1.21 10.11 1.01 -0.22 -0.31 120.40 135.55 1fag s VAL 355 Ca -0.10 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.74 1fag s VAL 355 Cb -0.16 -4.34 0.02 0.00 0.00 0.00 0.00 36.38 31.91 1fag s VAL 355 CO 0.01 -0.88 1.75 -0.76 0.00 0.00 0.00 175.10 175.23 1fag s LEU 356 N 2.29 3.57 0.24 3.92 1.43 -0.82 -3.38 118.68 125.94 1fag s LEU 356 Ca 0.10 -2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 51.06 1fag s LEU 356 Cb -0.24 -2.58 0.33 0.00 0.03 0.00 0.00 46.19 43.74 1fag s LEU 356 CO 0.08 -1.75 1.60 0.40 0.23 0.00 0.00 176.35 176.91 1fag h ILE 357 N 5.98 0.23 -0.44 -0.59 2.04 -1.73 -0.26 117.51 122.73 1fag h ILE 357 Ca 0.34 -0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.33 1fag h ILE 357 Cb 0.91 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1fag h ILE 357 CO 1.39 0.00 0.34 1.55 0.00 0.00 0.00 178.15 181.43 1fag h PRO 358 N 0.00 0.00 0.15 2.37 0.13 -1.88 -1.23 132.00 131.55 1fag h PRO 358 Ca 0.38 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.23 1fag h PRO 358 Cb 0.58 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.74 1fag h PRO 358 CO -0.79 0.00 -1.15 1.96 -0.23 0.00 0.00 178.00 177.79 1fag h GLN 359 N 0.00 0.52 -0.42 0.86 1.08 -1.37 -3.14 115.11 112.64 1fag h GLN 359 Ca 0.21 -0.76 0.10 0.00 -1.45 0.00 0.00 58.65 56.76 1fag h GLN 359 Cb 0.88 0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 1fag h GLN 359 CO -0.00 1.34 0.30 1.25 -0.95 0.00 0.00 178.83 180.77 1fag h LEU 360 N 0.07 0.10 -0.50 1.46 5.85 -0.93 0.24 115.31 121.60 1fag h LEU 360 Ca -0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1fag h LEU 360 Cb 1.87 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.88 1fag h LEU 360 CO 0.22 0.06 0.00 1.41 -0.34 0.00 0.00 178.44 179.79 1fag n HIS 361 N -4.44 0.01 -0.40 1.25 8.25 -0.82 -3.14 115.22 115.92 1fag n HIS 361 Ca 0.07 -0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.57 1fag n HIS 361 Cb 0.42 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.64 1fag n HIS 361 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1fag n ARG 362 N -0.39 2.64 -2.37 -0.41 1.74 0.82 -4.84 116.66 113.86 1fag n ARG 362 Ca 0.21 -2.07 -0.41 0.00 -0.77 0.00 0.00 57.85 54.80 1fag n ARG 362 Cb 0.23 -1.31 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 1fag n ARG 362 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1fag s ASP 363 N -1.49 6.06 0.58 0.55 2.15 -1.09 -4.87 116.67 118.57 1fag s ASP 363 Ca 0.19 0.24 0.28 0.00 0.43 0.00 0.00 52.55 53.69 1fag s ASP 363 Cb 0.14 -2.55 1.64 0.00 -0.30 0.00 0.00 42.92 41.85 1fag s ASP 363 CO 0.07 -1.78 2.10 0.07 -0.17 0.00 0.00 175.17 175.46 1fag h LYS 364 N 11.31 0.00 0.00 4.34 2.10 -1.93 -0.69 116.57 131.70 1fag h LYS 364 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1fag h LYS 364 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1fag h LYS 364 CO 1.19 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.89 1fag n THR 365 N -3.85 0.83 -0.00 0.07 -2.24 -1.26 0.73 114.28 108.55 1fag n THR 365 Ca 0.02 0.21 -0.01 0.00 -2.27 0.00 0.00 64.05 62.00 1fag n THR 365 Cb 0.33 -0.95 -0.00 0.00 -2.10 0.00 0.00 70.33 67.61 1fag n THR 365 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1fag n ILE 366 N -1.43 0.05 0.08 2.28 2.08 -0.63 -4.84 119.36 116.96 1fag n ILE 366 Ca 0.05 -0.02 0.11 0.00 0.56 0.00 0.00 62.75 63.45 1fag n ILE 366 Cb 0.16 -0.97 -0.07 0.00 -0.75 0.00 0.00 39.64 38.01 1fag n ILE 366 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 1fag n TRP 367 N -2.76 0.53 0.00 1.39 7.02 -0.36 -4.99 117.44 118.26 1fag n TRP 367 Ca -0.02 0.15 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 1fag n TRP 367 Cb 0.52 -0.74 0.00 0.00 -2.42 0.00 0.00 31.31 28.67 1fag n TRP 367 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1fag n GLY 368 N 1.22 0.74 0.73 6.99 0.00 0.22 -4.63 105.19 110.47 1fag n GLY 368 Ca -0.02 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1fag n GLY 368 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fag n ASP 369 N 0.00 1.22 -0.40 1.61 8.00 -1.26 -3.19 116.55 122.53 1fag n ASP 369 Ca 0.00 -1.27 0.00 0.00 0.71 0.00 0.00 54.79 54.23 1fag n ASP 369 Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 1fag n ASP 369 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1fag n ASP 370 N 0.42 0.00 -0.28 -2.24 5.75 -1.26 -4.95 116.55 113.99 1fag n ASP 370 Ca 0.00 -1.72 0.26 0.00 -0.01 0.00 0.00 54.79 53.33 1fag n ASP 370 Cb 0.23 -0.14 0.47 0.00 -1.03 0.00 0.00 41.12 40.65 1fag n ASP 370 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1fag n VAL 371 N 0.00 -0.29 1.32 2.12 0.24 -1.19 -0.56 118.33 119.97 1fag n VAL 371 Ca 0.00 1.51 0.11 0.00 -2.04 0.00 0.00 64.34 63.92 1fag n VAL 371 Cb 0.64 -2.46 0.63 0.00 -1.47 0.00 0.00 33.84 31.18 1fag n VAL 371 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1fag n GLU 372 N -4.59 0.64 -3.96 7.34 4.07 -1.26 -4.82 120.64 118.06 1fag n GLU 372 Ca 0.30 0.01 -0.29 0.00 -0.06 0.00 0.00 57.16 57.11 1fag n GLU 372 Cb 1.06 -1.50 -0.04 0.00 -0.06 0.00 0.00 31.44 30.89 1fag n GLU 372 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1fag s GLU 373 N -2.06 3.32 -0.84 5.31 2.02 0.28 -5.04 118.70 121.69 1fag s GLU 373 Ca 0.31 -0.54 -0.23 0.00 0.02 0.00 0.00 54.97 54.53 1fag s GLU 373 Cb 0.15 -2.95 0.07 0.00 0.10 0.00 0.00 34.13 31.50 1fag s GLU 373 CO 0.26 0.58 1.21 0.12 0.02 0.00 0.00 175.26 177.44 1fag s PHE 374 N -1.56 2.65 -0.48 1.61 5.36 -1.26 -4.94 117.98 119.37 1fag s PHE 374 Ca 0.34 -0.72 0.03 0.00 -0.96 0.00 0.00 56.93 55.62 1fag s PHE 374 Cb -0.12 -4.48 0.13 0.00 -0.34 0.00 0.00 43.02 38.21 1fag s PHE 374 CO 0.27 -1.79 0.25 0.50 -1.46 0.00 0.00 175.22 172.99 1fag s ARG 375 N 4.36 1.61 0.40 10.12 3.52 -1.26 -4.95 118.95 132.74 1fag s ARG 375 Ca 0.34 -2.29 0.17 0.00 -0.13 0.00 0.00 55.73 53.82 1fag s ARG 375 Cb -0.07 -2.79 1.06 0.00 -1.56 0.00 0.00 34.95 31.59 1fag s ARG 375 CO 0.01 -1.14 1.80 -1.35 -0.81 0.00 0.00 175.30 173.81 1fag h PRO 376 N 6.62 0.43 -0.61 5.12 0.11 -1.92 -0.94 132.00 140.81 1fag h PRO 376 Ca -0.04 -0.03 0.18 0.00 0.11 0.00 0.00 66.00 66.22 1fag h PRO 376 Cb 0.91 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 1fag h PRO 376 CO 0.58 0.28 0.68 0.93 -0.21 0.00 0.00 178.00 180.26 1fag h GLU 377 N 0.44 0.00 -0.11 1.05 3.07 -1.92 -0.45 114.58 116.66 1fag h GLU 377 Ca 0.55 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.44 1fag h GLU 377 Cb 1.33 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1fag h GLU 377 CO -0.26 0.00 0.14 0.00 -1.40 0.00 0.00 179.01 177.49 1fag h ARG 378 N 0.00 0.00 -0.91 2.33 3.08 -1.57 0.61 114.38 117.92 1fag h ARG 378 Ca 0.29 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.92 1fag h ARG 378 Cb 1.64 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.44 1fag h ARG 378 CO -0.00 0.00 0.53 1.19 -1.07 0.00 0.00 179.97 180.62 1fag n PHE 379 N -3.66 2.87 0.40 3.04 3.72 -0.18 -4.51 117.46 119.13 1fag n PHE 379 Ca -0.00 -1.65 -0.19 0.00 -0.05 0.00 0.00 57.45 55.56 1fag n PHE 379 Cb 0.24 -0.86 -0.10 0.00 -0.94 0.00 0.00 39.48 37.82 1fag n PHE 379 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1fag h GLU 380 N 1.53 -1.11 -3.53 -1.08 4.57 -1.04 -3.35 114.58 110.57 1fag h GLU 380 Ca 0.52 0.08 -0.68 0.00 -1.18 0.00 0.00 59.36 58.09 1fag h GLU 380 Cb 2.70 0.25 -0.37 0.00 -0.16 0.00 0.00 28.75 31.17 1fag h GLU 380 CO 0.99 -0.74 -0.44 0.54 -1.18 0.00 0.00 179.01 178.18 1fag s ASN 381 N -4.12 4.98 0.54 1.04 4.22 -1.26 -4.97 114.94 115.37 1fag s ASN 381 Ca -0.18 -2.91 0.34 0.00 -2.14 0.00 0.00 52.86 47.97 1fag s ASN 381 Cb 0.03 -1.79 1.51 0.00 1.28 0.00 0.00 41.25 42.27 1fag s ASN 381 CO 0.58 -0.33 1.85 -0.65 -2.04 0.00 0.00 177.10 176.51 1fag h PRO 382 N 6.87 0.01 0.00 3.55 0.11 -1.89 -1.24 132.00 139.41 1fag h PRO 382 Ca -0.03 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1fag h PRO 382 Cb 0.93 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1fag h PRO 382 CO 0.70 0.01 -0.02 0.77 -0.21 0.00 0.00 178.00 179.25 1fag h SER 383 N 0.01 0.00 0.82 -2.05 0.02 -1.95 -3.08 113.55 107.31 1fag h SER 383 Ca 0.49 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.26 1fag h SER 383 Cb 1.96 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.47 1fag h SER 383 CO -0.01 0.02 -0.87 0.00 -1.14 0.00 0.00 176.83 174.82 1fag h ALA 384 N 1.98 0.56 -2.59 3.77 0.00 -1.63 -3.45 119.26 117.90 1fag h ALA 384 Ca -0.00 -0.78 -0.53 0.00 0.00 0.00 0.00 54.91 53.60 1fag h ALA 384 Cb 0.37 -0.13 0.04 0.00 0.00 0.00 0.00 17.79 18.07 1fag h ALA 384 CO 0.00 1.05 0.81 0.42 0.00 0.00 0.00 179.25 181.54 1fag s ILE 385 N -3.05 2.88 0.65 0.00 -1.09 -1.17 -4.97 121.20 114.46 1fag s ILE 385 Ca -0.00 0.64 -0.17 0.00 -2.23 0.00 0.00 60.65 58.88 1fag s ILE 385 Cb 0.11 -3.41 -0.00 0.00 -1.58 0.00 0.00 42.46 37.57 1fag s ILE 385 CO 0.80 0.05 1.24 -2.84 -1.23 0.00 0.00 174.94 172.97 1fag s PRO 386 N 1.03 2.57 0.17 2.79 0.02 -1.26 -4.97 135.00 135.34 1fag s PRO 386 Ca 0.67 1.89 -0.29 0.00 0.02 0.00 0.00 61.00 63.29 1fag s PRO 386 Cb -0.41 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.17 1fag s PRO 386 CO 0.32 -1.54 0.93 -0.65 -0.33 0.00 0.00 177.00 175.73 1fag s GLN 387 N -3.53 4.76 0.00 5.54 -1.52 -1.26 -2.87 119.66 120.78 1fag s GLN 387 Ca 0.78 1.43 0.00 0.00 -1.95 0.00 0.00 55.36 55.63 1fag s GLN 387 Cb -0.33 -3.33 0.00 0.00 -0.22 0.00 0.00 33.01 29.14 1fag s GLN 387 CO 0.39 0.38 0.00 0.72 -0.25 0.00 0.00 175.29 176.53 1fag n HIS 388 N 2.13 0.00 -0.05 0.91 8.25 -1.26 -4.89 115.22 120.32 1fag n HIS 388 Ca -0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1fag n HIS 388 Cb 0.48 -0.39 -0.15 0.00 1.12 0.00 0.00 29.99 31.05 1fag n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fag n ALA 389 N 1.00 2.17 -3.67 -1.41 0.00 -1.14 -4.52 120.51 112.94 1fag n ALA 389 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 53.44 52.35 1fag n ALA 389 Cb 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 19.45 18.92 1fag n ALA 389 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1fag s PHE 390 N -2.91 1.94 -0.73 0.00 5.36 -1.26 -4.45 117.98 115.93 1fag s PHE 390 Ca -0.08 -2.46 0.03 0.00 -0.96 0.00 0.00 56.93 53.46 1fag s PHE 390 Cb 0.09 -1.76 0.31 0.00 -0.34 0.00 0.00 43.02 41.32 1fag s PHE 390 CO 0.77 -0.76 1.13 1.63 -1.46 0.00 0.00 175.22 176.53 1fag n LYS 391 N 3.28 3.66 0.20 10.12 5.02 -1.26 -4.85 118.16 134.33 1fag n LYS 391 Ca 0.14 -4.76 0.09 0.00 -2.02 0.00 0.00 58.31 51.75 1fag n LYS 391 Cb 0.37 -2.32 0.21 0.00 -0.02 0.00 0.00 35.03 33.27 1fag n LYS 391 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1fag h PRO 392 N 3.70 0.00 -0.90 1.97 0.13 -1.94 -3.29 132.00 131.67 1fag h PRO 392 Ca 0.23 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.74 1fag h PRO 392 Cb 0.51 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.29 1fag h PRO 392 CO 0.94 0.20 0.24 1.19 -0.23 0.00 0.00 178.00 180.34 1fag n PHE 393 N -3.18 3.05 -4.43 1.56 3.72 -1.26 -4.75 117.46 112.17 1fag n PHE 393 Ca 0.02 -2.73 0.00 0.00 -0.05 0.00 0.00 57.45 54.70 1fag n PHE 393 Cb 0.57 -1.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.07 1fag n PHE 393 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fag n GLY 394 N -0.84 -0.44 2.92 1.37 0.00 -1.24 -1.52 105.19 105.44 1fag n GLY 394 Ca 0.56 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 1fag n GLY 394 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fag s ASN 395 N -4.00 -0.03 0.80 1.61 2.47 -1.22 -4.89 114.94 109.68 1fag s ASN 395 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.34 1fag s ASN 395 Cb 0.00 0.09 0.00 0.00 -1.45 0.00 0.00 41.25 39.89 1fag s ASN 395 CO 0.00 -0.03 0.00 0.61 -3.72 0.00 0.00 177.10 173.96 1fag n GLY 396 N 2.99 2.59 0.39 1.21 0.00 -1.26 -2.55 105.19 108.56 1fag n GLY 396 Ca -0.13 -0.30 0.21 0.00 0.00 0.00 0.00 46.02 45.81 1fag n GLY 396 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1fag h GLN 397 N 0.00 0.00 -2.05 1.61 -0.00 -2.01 -2.51 115.11 110.15 1fag h GLN 397 Ca 0.00 0.00 -0.75 0.00 -0.00 0.00 0.00 58.65 57.90 1fag h GLN 397 Cb 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 27.48 27.18 1fag h GLN 397 CO 0.00 0.00 0.70 0.54 -0.00 0.00 0.00 178.83 180.07 1fag n ARG 398 N -4.26 3.75 -3.65 0.06 5.12 -1.06 -4.99 116.66 111.64 1fag n ARG 398 Ca 0.10 -4.12 -0.20 0.00 -1.93 0.00 0.00 57.85 51.70 1fag n ARG 398 Cb 0.65 -2.33 -0.03 0.00 -1.16 0.00 0.00 32.46 29.59 1fag n ARG 398 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1fag s ALA 399 N -4.05 3.99 -0.11 7.54 0.00 -0.95 -3.45 121.76 124.74 1fag s ALA 399 Ca 0.47 -1.69 -0.34 0.00 0.00 0.00 0.00 51.96 50.40 1fag s ALA 399 Cb 0.34 -1.22 -0.11 0.00 0.00 0.00 0.00 23.12 22.12 1fag s ALA 399 CO -0.28 -0.08 1.92 0.00 0.00 0.00 0.00 175.76 177.32 1fag h ILE 401 N 5.63 1.52 -0.71 0.00 1.08 -1.96 -3.23 117.51 119.84 1fag h ILE 401 Ca -0.47 -2.48 0.00 0.00 -0.39 0.00 0.00 64.86 61.52 1fag h ILE 401 Cb 1.27 2.34 0.00 0.00 -3.07 0.00 0.00 36.82 37.36 1fag h ILE 401 CO 0.95 0.71 0.00 0.61 -0.69 0.00 0.00 178.15 179.73 1fag n GLY 402 N 0.56 2.52 0.31 5.37 0.00 -1.26 -4.69 105.19 108.00 1fag n GLY 402 Ca -0.01 -0.77 -0.00 0.00 0.00 0.00 0.00 46.02 45.24 1fag n GLY 402 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1fag n GLN 403 N 1.58 -0.17 0.10 1.61 7.27 -1.22 0.00 117.38 126.55 1fag n GLN 403 Ca 0.24 1.26 -0.00 0.00 0.07 0.00 0.00 57.00 58.56 1fag n GLN 403 Cb 0.61 -1.87 0.28 0.00 2.41 0.00 0.00 30.24 31.67 1fag n GLN 403 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1fag h GLN 404 N 0.00 0.23 -0.29 3.69 7.50 -1.88 -2.15 115.11 122.20 1fag h GLN 404 Ca 0.30 -0.09 -0.02 0.00 0.50 0.00 0.00 58.65 59.34 1fag h GLN 404 Cb 0.50 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.01 1fag h GLN 404 CO -0.82 0.53 0.10 0.35 -1.50 0.00 0.00 178.83 177.49 1fag h PHE 405 N 0.20 0.46 0.57 2.96 3.04 -0.76 0.67 116.94 124.08 1fag h PHE 405 Ca 0.03 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 1fag h PHE 405 Cb 0.66 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 1fag h PHE 405 CO 0.01 0.48 -0.42 0.00 -2.02 0.00 0.00 178.31 176.36 1fag h ALA 406 N 0.93 -1.17 -0.89 2.41 0.00 -1.01 -1.33 119.26 118.20 1fag h ALA 406 Ca 0.09 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1fag h ALA 406 Cb 0.23 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 1fag h ALA 406 CO -0.00 -1.16 0.58 -0.07 0.00 0.00 0.00 179.25 178.60 1fag h LEU 407 N -0.95 0.89 -0.63 0.00 4.07 -1.38 0.16 115.31 117.48 1fag h LEU 407 Ca -0.08 0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.78 1fag h LEU 407 Cb 0.79 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.32 1fag h LEU 407 CO 0.03 0.57 -0.14 -0.74 -1.08 0.00 0.00 178.44 177.08 1fag h HIS 408 N 1.01 1.05 0.43 1.13 2.76 -0.73 -0.32 115.15 120.49 1fag h HIS 408 Ca 0.39 -0.22 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 1fag h HIS 408 Cb 0.20 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.91 1fag h HIS 408 CO -0.00 1.00 -0.21 1.49 -1.30 0.00 0.00 177.93 178.92 1fag h GLU 409 N 0.83 -0.56 -0.45 5.26 4.81 -0.57 -2.22 114.58 121.68 1fag h GLU 409 Ca 0.13 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.48 1fag h GLU 409 Cb 0.68 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 30.11 1fag h GLU 409 CO 0.05 -0.25 -0.02 0.00 -0.73 0.00 0.00 179.01 178.06 1fag h ALA 410 N -0.70 0.40 -0.42 2.92 0.00 -0.68 -0.55 119.26 120.24 1fag h ALA 410 Ca -0.06 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1fag h ALA 410 Cb 0.56 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1fag h ALA 410 CO 0.10 -0.40 0.26 1.15 0.00 0.00 0.00 179.25 180.36 1fag h THR 411 N 0.09 1.12 0.25 0.00 2.02 -1.13 0.18 112.91 115.44 1fag h THR 411 Ca 0.22 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1fag h THR 411 Cb 0.33 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1fag h THR 411 CO -0.39 0.12 -0.17 0.25 0.37 0.00 0.00 175.52 175.70 1fag h LEU 412 N 0.56 -0.43 -0.09 2.58 5.85 -0.66 0.21 115.31 123.32 1fag h LEU 412 Ca 0.15 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1fag h LEU 412 Cb -0.03 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1fag h LEU 412 CO -0.03 -0.27 -0.04 1.62 -0.34 0.00 0.00 178.44 179.38 1fag h VAL 413 N -0.42 1.32 -0.99 1.05 3.04 -1.08 -0.46 116.25 118.72 1fag h VAL 413 Ca -0.02 -1.05 0.12 0.00 -1.01 0.00 0.00 66.70 64.75 1fag h VAL 413 Cb 0.36 1.83 -0.08 0.00 -2.01 0.00 0.00 31.29 31.38 1fag h VAL 413 CO 0.01 0.29 0.62 0.25 -1.01 0.00 0.00 177.57 177.74 1fag h LEU 414 N -0.18 0.88 0.56 3.16 6.46 -0.60 0.22 115.31 125.81 1fag h LEU 414 Ca 0.02 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.80 1fag h LEU 414 Cb 0.49 -0.13 0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1fag h LEU 414 CO 0.01 0.46 -0.27 1.23 -0.62 0.00 0.00 178.44 179.26 1fag h GLY 415 N 0.95 -0.78 0.65 3.75 0.00 -0.31 -2.20 103.07 105.12 1fag h GLY 415 Ca 0.49 0.29 0.08 0.00 0.00 0.00 0.00 47.33 48.19 1fag h GLY 415 CO -0.26 -0.28 0.63 -0.33 0.00 0.00 0.00 176.54 176.30 1fag h MET 416 N -0.83 1.07 0.15 4.80 2.86 0.26 -1.22 114.93 122.03 1fag h MET 416 Ca -0.08 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1fag h MET 416 Cb 0.60 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1fag h MET 416 CO 0.13 0.71 -0.07 0.52 1.06 0.00 0.00 176.91 179.25 1fag h MET 417 N 1.10 -0.19 -0.08 1.72 2.07 -0.56 -1.59 114.93 117.39 1fag h MET 417 Ca 0.45 0.01 -0.03 0.00 -2.07 0.00 0.00 59.70 58.07 1fag h MET 417 Cb 0.27 0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.04 1fag h MET 417 CO -0.20 -0.13 -0.08 -0.07 1.07 0.00 0.00 176.91 177.50 1fag h LEU 418 N -0.20 0.11 -0.39 1.22 3.38 -0.85 -1.03 115.31 117.55 1fag h LEU 418 Ca -0.02 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1fag h LEU 418 Cb 0.16 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1fag h LEU 418 CO 0.03 0.20 -0.42 0.50 0.09 0.00 0.00 178.44 178.84 1fag h LYS 419 N 0.12 0.91 0.00 1.13 3.64 -0.86 -3.37 116.57 118.13 1fag h LYS 419 Ca 0.03 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1fag h LYS 419 Cb 0.21 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1fag h LYS 419 CO 0.01 1.15 -1.56 0.72 -2.27 0.00 0.00 179.45 177.50 1fag n HIS 420 N -4.04 0.02 -4.32 1.91 8.25 -0.63 -4.89 115.22 111.51 1fag n HIS 420 Ca -0.03 0.01 -0.17 0.00 -0.26 0.00 0.00 57.72 57.27 1fag n HIS 420 Cb 0.56 -0.31 -0.10 0.00 1.12 0.00 0.00 29.99 31.27 1fag n HIS 420 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1fag s PHE 421 N -3.30 1.55 -0.41 4.41 0.08 -0.43 -1.11 117.98 118.76 1fag s PHE 421 Ca -0.01 -0.80 -0.04 0.00 0.12 0.00 0.00 56.93 56.20 1fag s PHE 421 Cb 0.15 -0.84 0.10 0.00 -0.57 0.00 0.00 43.02 41.86 1fag s PHE 421 CO 0.89 0.09 0.21 -0.51 -0.10 0.00 0.00 175.22 175.80 1fag s ASP 422 N -3.28 5.32 -0.21 1.36 1.01 0.15 -4.76 116.67 116.26 1fag s ASP 422 Ca 0.24 -1.89 -0.25 0.00 0.71 0.00 0.00 52.55 51.36 1fag s ASP 422 Cb 0.04 -1.86 -0.01 0.00 1.01 0.00 0.00 42.92 42.10 1fag s ASP 422 CO 0.06 -0.54 0.82 -0.36 0.21 0.00 0.00 175.17 175.37 1fag s PHE 423 N 1.21 3.36 -0.14 4.23 0.08 -1.26 -0.34 117.98 125.11 1fag s PHE 423 Ca 0.06 1.18 -0.01 0.00 0.12 0.00 0.00 56.93 58.28 1fag s PHE 423 Cb -0.23 -3.02 -0.01 0.00 -0.57 0.00 0.00 43.02 39.19 1fag s PHE 423 CO -0.03 -0.32 -0.12 -2.00 -0.10 0.00 0.00 175.22 172.66 1fag s GLU 424 N 2.49 3.39 -1.41 0.44 2.12 0.00 -4.97 118.70 120.75 1fag s GLU 424 Ca 0.36 -0.67 -0.10 0.00 0.36 0.00 0.00 54.97 54.91 1fag s GLU 424 Cb -0.16 -2.69 0.07 0.00 0.26 0.00 0.00 34.13 31.61 1fag s GLU 424 CO 0.10 0.16 2.29 -3.47 -0.54 0.00 0.00 175.26 173.80 1fag n ASP 425 N 3.70 5.96 0.00 -1.70 2.03 -1.26 -1.94 116.55 123.33 1fag n ASP 425 Ca -0.18 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.20 1fag n ASP 425 Cb 0.52 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 1fag n ASP 425 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fag n HIS 426 N 4.12 0.00 0.08 -0.67 1.44 -1.26 -1.60 115.22 117.33 1fag n HIS 426 Ca 0.55 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 56.27 1fag n HIS 426 Cb 0.32 -0.33 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1fag n HIS 426 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1fag n THR 427 N -1.32 0.00 -3.92 0.61 -2.24 -1.26 -4.98 114.28 101.17 1fag n THR 427 Ca 0.00 -0.49 -0.29 0.00 -2.27 0.00 0.00 64.05 61.00 1fag n THR 427 Cb 0.12 1.03 0.02 0.00 -2.10 0.00 0.00 70.33 69.40 1fag n THR 427 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1fag n ASN 428 N -0.11 -3.60 -4.60 3.42 5.15 -0.63 -4.73 115.26 110.17 1fag n ASN 428 Ca 0.01 -0.83 -0.62 0.00 -0.60 0.00 0.00 54.58 52.54 1fag n ASN 428 Cb 0.05 -3.72 -0.10 0.00 -0.53 0.00 0.00 39.78 35.48 1fag n ASN 428 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fag n TYR 429 N -4.55 1.68 -2.97 1.20 9.36 -1.26 -4.92 117.16 115.70 1fag n TYR 429 Ca -0.05 0.84 -0.41 0.00 3.32 0.00 0.00 57.90 61.61 1fag n TYR 429 Cb 0.56 -2.32 -0.05 0.00 -0.63 0.00 0.00 39.34 36.90 1fag n TYR 429 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1fag s GLU 430 N 4.11 4.21 0.16 2.98 2.12 -1.26 -4.99 118.70 126.03 1fag s GLU 430 Ca 1.07 0.84 -0.34 0.00 0.36 0.00 0.00 54.97 56.91 1fag s GLU 430 Cb -1.35 -3.62 -0.15 0.00 0.26 0.00 0.00 34.13 29.27 1fag s GLU 430 CO 0.72 -0.40 1.31 -0.11 -0.54 0.00 0.00 175.26 176.23 1fag n LEU 431 N 5.59 2.06 -3.61 2.70 7.94 -1.26 -4.99 117.00 125.43 1fag n LEU 431 Ca 0.03 1.13 -0.21 0.00 -1.11 0.00 0.00 56.01 55.85 1fag n LEU 431 Cb 0.48 -1.28 -0.16 0.00 0.53 0.00 0.00 43.42 43.00 1fag n LEU 431 CO 0.46 -0.95 -0.28 -0.62 -1.11 0.00 0.00 177.39 174.89 1fag s ASP 432 N 0.29 1.45 -0.39 1.96 2.15 -1.26 -5.06 116.67 115.81 1fag s ASP 432 Ca 0.76 -0.13 -0.12 0.00 0.43 0.00 0.00 52.55 53.49 1fag s ASP 432 Cb -0.82 0.06 0.03 0.00 -0.30 0.00 0.00 42.92 41.89 1fag s ASP 432 CO 0.49 -0.30 0.24 -0.63 -0.17 0.00 0.00 175.17 174.80 1fag s ILE 433 N 2.23 4.79 0.07 4.11 1.01 -1.26 0.12 121.20 132.27 1fag s ILE 433 Ca 0.04 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 1fag s ILE 433 Cb -0.14 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1fag s ILE 433 CO -0.08 -0.27 0.97 -0.75 0.00 0.00 0.00 174.94 174.81 1fag s LYS 434 N 1.59 4.64 -0.18 2.79 2.20 0.19 -4.85 119.74 126.13 1fag s LYS 434 Ca 0.03 1.45 -0.03 0.00 -0.36 0.00 0.00 55.97 57.06 1fag s LYS 434 Cb -0.19 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.70 1fag s LYS 434 CO 0.08 0.11 -0.05 -1.21 -0.36 0.00 0.00 175.35 173.92 1fag s GLU 435 N 0.36 3.53 -0.35 4.03 2.02 -1.26 -2.27 118.70 124.76 1fag s GLU 435 Ca 0.49 -0.58 0.15 0.00 0.02 0.00 0.00 54.97 55.05 1fag s GLU 435 Cb -0.23 -2.92 0.40 0.00 0.10 0.00 0.00 34.13 31.49 1fag s GLU 435 CO 0.29 0.08 0.84 0.25 0.02 0.00 0.00 175.26 176.74 1fag n THR 436 N 3.99 0.47 0.00 3.63 -2.24 -1.26 -4.91 114.28 113.96 1fag n THR 436 Ca -0.18 -3.90 0.00 0.00 -2.27 0.00 0.00 64.05 57.71 1fag n THR 436 Cb 0.52 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1fag n THR 436 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1fag n LEU 437 N 0.10 0.00 -4.86 3.22 4.77 -1.26 -4.70 117.00 114.27 1fag n LEU 437 Ca 0.18 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.85 1fag n LEU 437 Cb 0.73 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.84 1fag n LEU 437 CO 0.24 0.00 0.72 0.42 -1.33 0.00 0.00 177.39 177.44 1fag s THR 438 N 0.00 4.41 0.16 -5.08 -4.23 -1.26 -4.64 115.64 105.00 1fag s THR 438 Ca 0.00 0.78 0.05 0.00 -1.18 0.00 0.00 61.69 61.35 1fag s THR 438 Cb 0.00 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 1fag s THR 438 CO 0.00 -1.02 0.10 -0.76 -0.54 0.00 0.00 174.62 172.39 1fag s LEU 439 N -5.27 3.68 -0.27 4.79 1.43 -0.89 -4.35 118.68 117.80 1fag s LEU 439 Ca 0.56 -0.19 -0.26 0.00 -1.03 0.00 0.00 54.13 53.22 1fag s LEU 439 Cb -0.12 -2.30 0.14 0.00 0.03 0.00 0.00 46.19 43.94 1fag s LEU 439 CO 0.54 0.08 1.11 -1.59 0.23 0.00 0.00 176.35 176.72 1fag s LYS 440 N -3.00 0.42 -0.25 1.70 -2.85 -0.96 -4.68 119.74 110.12 1fag s LYS 440 Ca 0.30 0.43 -0.29 0.00 -1.00 0.00 0.00 55.97 55.41 1fag s LYS 440 Cb -0.10 0.20 -0.01 0.00 -2.06 0.00 0.00 37.83 35.86 1fag s LYS 440 CO 0.22 -0.06 1.38 -1.25 0.10 0.00 0.00 175.35 175.74 1fag s PRO 441 N -0.00 3.94 0.09 1.78 0.04 -1.26 0.53 135.00 140.12 1fag s PRO 441 Ca 0.04 1.44 -0.26 0.00 0.04 0.00 0.00 61.00 62.26 1fag s PRO 441 Cb -0.04 -3.90 -0.06 0.00 0.04 0.00 0.00 34.50 30.53 1fag s PRO 441 CO -0.07 -1.09 0.79 -2.00 0.04 0.00 0.00 177.00 174.67 1fag s GLU 442 N 4.19 4.55 -0.60 4.56 2.12 0.32 -3.97 118.70 129.86 1fag s GLU 442 Ca 0.60 1.15 0.00 0.00 0.36 0.00 0.00 54.97 57.08 1fag s GLU 442 Cb -0.20 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1fag s GLU 442 CO 0.23 0.37 0.00 0.41 -0.54 0.00 0.00 175.26 175.74 1fag n GLY 443 N 2.10 0.76 3.64 -1.50 0.00 -1.26 -4.51 105.19 104.42 1fag n GLY 443 Ca -0.03 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 1fag n GLY 443 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fag s PHE 444 N -2.00 2.37 0.04 1.61 5.36 -1.25 -4.98 117.98 119.13 1fag s PHE 444 Ca 0.00 0.66 0.02 0.00 -0.96 0.00 0.00 56.93 56.65 1fag s PHE 444 Cb 0.00 -3.85 -0.02 0.00 -0.34 0.00 0.00 43.02 38.81 1fag s PHE 444 CO 0.00 -2.56 -0.08 0.14 -1.46 0.00 0.00 175.22 171.27 1fag s VAL 445 N 4.44 0.55 0.20 3.12 -7.23 -1.26 -1.75 120.40 118.48 1fag s VAL 445 Ca 0.65 -1.04 -0.03 0.00 -1.81 0.00 0.00 61.98 59.74 1fag s VAL 445 Cb -0.24 -0.61 0.01 0.00 0.56 0.00 0.00 36.38 36.11 1fag s VAL 445 CO 0.25 -0.35 0.32 1.33 -0.31 0.00 0.00 175.10 176.34 1fag n VAL 446 N 1.53 0.00 -4.26 1.32 0.24 -0.70 -4.66 118.33 111.80 1fag n VAL 446 Ca -0.22 -0.88 -0.20 0.00 -2.04 0.00 0.00 64.34 61.00 1fag n VAL 446 Cb 0.55 0.60 -0.16 0.00 -1.47 0.00 0.00 33.84 33.36 1fag n VAL 446 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1fag s LYS 447 N -2.34 0.89 -0.19 7.34 2.47 -0.82 0.15 119.74 127.24 1fag s LYS 447 Ca 0.14 -0.19 -0.06 0.00 -1.56 0.00 0.00 55.97 54.30 1fag s LYS 447 Cb -0.01 -0.85 -0.03 0.00 -1.46 0.00 0.00 37.83 35.48 1fag s LYS 447 CO 0.10 0.00 0.03 0.00 0.16 0.00 0.00 175.35 175.65 1fag s ALA 448 N 0.59 3.20 -0.27 3.13 0.00 -1.26 -0.82 121.76 126.32 1fag s ALA 448 Ca -0.08 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 1fag s ALA 448 Cb -0.12 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1fag s ALA 448 CO 0.01 -0.01 0.16 0.15 0.00 0.00 0.00 175.76 176.06 1fag s LYS 449 N 0.75 3.89 0.57 0.00 3.01 0.54 -4.80 119.74 123.69 1fag s LYS 449 Ca 0.02 -0.36 -0.21 0.00 -1.01 0.00 0.00 55.97 54.41 1fag s LYS 449 Cb -0.14 -3.57 -0.04 0.00 -1.01 0.00 0.00 37.83 33.07 1fag s LYS 449 CO 0.02 -0.17 1.33 0.45 0.51 0.00 0.00 175.35 177.49 1fag n SER 450 N 4.97 2.47 -0.89 2.83 2.88 -1.26 0.32 113.62 124.94 1fag n SER 450 Ca -0.15 0.94 0.12 0.00 -1.33 0.00 0.00 58.87 58.46 1fag n SER 450 Cb 0.52 -1.56 0.22 0.00 -0.75 0.00 0.00 64.21 62.64 1fag n SER 450 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1fag n LYS 451 N -1.17 2.21 -2.89 -1.46 5.02 -0.27 -4.81 118.16 114.79 1fag n LYS 451 Ca 0.12 -1.79 -0.18 0.00 -2.02 0.00 0.00 58.31 54.44 1fag n LYS 451 Cb 0.45 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 34.02 1fag n LYS 451 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1fag n LYS 452 N 1.10 -4.09 -3.66 1.97 4.01 -1.26 -5.02 118.16 111.22 1fag n LYS 452 Ca 0.16 0.74 -0.37 0.00 -0.51 0.00 0.00 58.31 58.33 1fag n LYS 452 Cb 0.54 -5.24 -0.11 0.00 -0.51 0.00 0.00 35.03 29.71 1fag n LYS 452 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1fag s ILE 453 N -3.07 5.07 1.37 -0.18 1.01 -1.26 -5.09 121.20 119.05 1fag s ILE 453 Ca 0.26 0.09 -0.22 0.00 0.00 0.00 0.00 60.65 60.77 1fag s ILE 453 Cb -0.11 -3.39 0.35 0.00 0.01 0.00 0.00 42.46 39.31 1fag s ILE 453 CO 0.32 0.29 0.99 -2.16 0.00 0.00 0.00 174.94 174.38 1fag s PRO 454 N 1.56 -2.53 0.00 2.79 0.04 -1.26 -4.99 135.00 130.62 1fag s PRO 454 Ca 0.07 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1fag s PRO 454 Cb -0.15 -1.44 0.00 0.00 0.04 0.00 0.00 34.50 32.95 1fag s PRO 454 CO 0.08 -4.58 0.00 1.47 0.04 0.00 0.00 177.00 174.01