#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 5.36 0.05 12.58 1.01 -1.26 -4.71 121.20 134.23 1fag s ILE 2 Ca 0.00 0.38 -0.20 0.00 0.00 0.00 0.00 60.65 60.83 1fag s ILE 2 Cb 0.00 -3.55 -0.06 0.00 0.01 0.00 0.00 42.46 38.86 1fag s ILE 2 CO 0.00 0.44 0.59 -0.54 0.00 0.00 0.00 174.94 175.43 1fag s LYS 3 N 0.19 4.26 0.07 2.79 -0.14 -1.10 -5.04 119.74 120.77 1fag s LYS 3 Ca 0.13 0.76 -0.31 0.00 -1.36 0.00 0.00 55.97 55.19 1fag s LYS 3 Cb -0.12 -3.28 -0.06 0.00 -1.68 0.00 0.00 37.83 32.69 1fag s LYS 3 CO 0.02 0.54 1.28 -2.00 -0.76 0.00 0.00 175.35 174.43 1fag s GLU 4 N -0.79 4.38 0.05 1.68 2.12 -1.26 -4.83 118.70 120.05 1fag s GLU 4 Ca 0.30 1.88 -0.30 0.00 0.36 0.00 0.00 54.97 57.21 1fag s GLU 4 Cb -0.19 -3.34 -0.09 0.00 0.26 0.00 0.00 34.13 30.77 1fag s GLU 4 CO 0.19 -0.35 1.82 1.41 -0.54 0.00 0.00 175.26 177.79 1fag s MET 5 N 1.22 4.16 0.29 4.30 -2.45 -1.26 -4.95 119.30 120.60 1fag s MET 5 Ca 0.61 2.48 -0.29 0.00 -1.25 0.00 0.00 55.69 57.24 1fag s MET 5 Cb -0.32 -3.89 -0.10 0.00 1.25 0.00 0.00 34.83 31.77 1fag s MET 5 CO 0.29 -0.87 1.12 -2.14 1.05 0.00 0.00 175.02 174.47 1fag s PRO 6 N 3.64 4.61 -0.07 4.11 0.02 -1.26 -4.76 135.00 141.28 1fag s PRO 6 Ca 0.81 1.84 -0.24 0.00 0.02 0.00 0.00 61.00 63.43 1fag s PRO 6 Cb -0.41 -3.17 0.05 0.00 0.02 0.00 0.00 34.50 30.99 1fag s PRO 6 CO 0.36 0.18 0.54 1.14 -0.33 0.00 0.00 177.00 178.89 1fag s GLN 7 N -1.49 0.86 1.30 5.54 -2.07 -1.26 -0.00 119.66 122.54 1fag s GLN 7 Ca 0.45 0.22 -0.19 0.00 -1.82 0.00 0.00 55.36 54.03 1fag s GLN 7 Cb -0.32 0.40 0.33 0.00 -1.09 0.00 0.00 33.01 32.32 1fag s GLN 7 CO 0.42 -0.24 0.98 -1.25 -1.32 0.00 0.00 175.29 173.89 1fag s PRO 8 N -0.94 -2.01 0.52 9.60 0.04 -1.26 -4.94 135.00 136.00 1fag s PRO 8 Ca -0.10 0.37 -0.21 0.00 0.04 0.00 0.00 61.00 61.10 1fag s PRO 8 Cb -0.02 -1.47 -0.08 0.00 0.04 0.00 0.00 34.50 32.97 1fag s PRO 8 CO 0.06 -4.32 0.99 1.63 0.04 0.00 0.00 177.00 175.40 1fag n LYS 9 N -5.27 1.15 -4.30 4.56 4.76 -1.26 -4.91 118.16 112.89 1fag n LYS 9 Ca 0.09 0.43 -0.28 0.00 -2.87 0.00 0.00 58.31 55.67 1fag n LYS 9 Cb 0.58 -2.12 -0.10 0.00 -1.84 0.00 0.00 35.03 31.54 1fag n LYS 9 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1fag s THR 10 N -1.41 3.00 -0.59 -0.18 -4.23 -1.26 -4.27 115.64 106.71 1fag s THR 10 Ca 0.69 -1.56 0.06 0.00 -1.18 0.00 0.00 61.69 59.70 1fag s THR 10 Cb -0.48 -2.42 0.30 0.00 1.34 0.00 0.00 72.50 71.25 1fag s THR 10 CO 0.52 0.02 0.85 0.49 -0.54 0.00 0.00 174.62 175.96 1fag n PHE 11 N 0.49 3.59 -3.61 3.99 3.01 0.14 -4.91 117.46 120.18 1fag n PHE 11 Ca -0.13 -4.04 0.00 0.00 1.01 0.00 0.00 57.45 54.29 1fag n PHE 11 Cb 0.54 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 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 0.23 3.14 0.41 1.37 0.00 -1.26 -1.87 105.19 107.20 1fag n GLY 12 Ca 0.30 -0.30 0.23 0.00 0.00 0.00 0.00 46.02 46.25 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 0.16 114.58 118.43 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 -0.07 0.07 0.00 0.00 179.01 179.01 1fag h LEU 14 N 0.00 0.00 0.00 3.06 -0.00 -1.80 -3.39 115.31 113.18 1fag h LEU 14 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.18 1fag h LEU 14 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 1fag h LEU 14 CO -0.00 0.00 0.00 0.29 -0.00 0.00 0.00 178.44 178.73 1fag n LYS 15 N -2.71 0.00 -0.01 1.13 4.76 0.57 -1.63 118.16 120.27 1fag n LYS 15 Ca 0.02 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.59 1fag n LYS 15 Cb 0.30 0.00 0.38 0.00 -1.84 0.00 0.00 35.03 33.86 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 4.55 2.03 -0.25 4.39 4.13 -0.59 0.28 115.26 129.80 1fag n ASN 16 Ca 0.00 -1.68 0.05 0.00 1.68 0.00 0.00 54.58 54.63 1fag n ASN 16 Cb 0.00 -0.02 0.17 0.00 -1.54 0.00 0.00 39.78 38.40 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 3.13 -0.12 -2.44 3.41 5.85 -1.41 0.52 115.31 124.26 1fag h LEU 17 Ca 0.00 0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1fag h LEU 17 Cb 0.67 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1fag h LEU 17 CO 0.00 -0.09 0.13 -0.65 -0.34 0.00 0.00 178.44 177.48 1fag h PRO 18 N 0.20 0.00 0.00 5.25 0.11 -1.80 0.09 132.00 135.85 1fag h PRO 18 Ca 0.41 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.46 1fag h PRO 18 Cb 0.72 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 1fag h PRO 18 CO -0.56 0.00 -0.27 -0.07 -0.21 0.00 0.00 178.00 176.88 1fag h LEU 19 N 0.00 0.00 -1.55 2.35 3.38 -1.22 -2.60 115.31 115.67 1fag h LEU 19 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1fag h LEU 19 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1fag h LEU 19 CO -0.00 0.27 0.00 -0.11 0.09 0.00 0.00 178.44 178.69 1fag n LEU 20 N -3.90 2.32 -4.57 1.67 7.94 0.02 -4.78 117.00 115.70 1fag n LEU 20 Ca -0.02 -0.98 -0.29 0.00 -1.11 0.00 0.00 56.01 53.61 1fag n LEU 20 Cb 0.35 -0.15 -0.05 0.00 0.53 0.00 0.00 43.42 44.10 1fag n LEU 20 CO 0.36 0.49 1.43 0.21 -1.11 0.00 0.00 177.39 178.77 1fag s ASN 21 N -1.54 5.33 0.09 1.96 2.47 -0.98 -4.76 114.94 117.51 1fag s ASN 21 Ca 0.34 -1.12 -0.27 0.00 0.42 0.00 0.00 52.86 52.23 1fag s ASN 21 Cb 0.19 -2.57 0.08 0.00 -1.45 0.00 0.00 41.25 37.50 1fag s ASN 21 CO 0.28 -2.64 0.96 0.28 -3.72 0.00 0.00 177.10 172.27 1fag s THR 22 N 9.53 0.00 -0.88 -5.21 -1.32 -1.26 -5.01 115.64 111.50 1fag s THR 22 Ca 0.66 -0.44 0.27 0.00 -1.21 0.00 0.00 61.69 60.98 1fag s THR 22 Cb -0.04 -1.69 0.26 0.00 -1.51 0.00 0.00 72.50 69.52 1fag s THR 22 CO 0.03 0.00 1.85 0.47 -2.21 0.00 0.00 174.62 174.75 1fag n ASP 23 N -0.40 0.35 -3.34 8.08 8.00 -1.26 -4.24 116.55 123.73 1fag n ASP 23 Ca -0.07 0.54 -0.26 0.00 0.71 0.00 0.00 54.79 55.71 1fag n ASP 23 Cb 0.61 -0.63 -0.08 0.00 -0.02 0.00 0.00 41.12 41.00 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 -1.83 1.01 -0.07 -1.24 5.02 -1.26 -4.13 118.16 115.66 1fag n LYS 24 Ca 0.06 -3.59 -0.10 0.00 -2.02 0.00 0.00 58.31 52.66 1fag n LYS 24 Cb 0.37 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 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 4.55 0.34 -0.40 1.97 0.13 -1.86 -2.44 132.00 134.28 1fag h PRO 25 Ca 0.15 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 65.27 1fag h PRO 25 Cb 0.84 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.87 1fag h PRO 25 CO 0.53 0.33 0.18 0.28 -0.23 0.00 0.00 178.00 179.09 1fag h VAL 26 N 0.26 0.95 0.00 1.56 2.07 -1.96 0.12 116.25 119.26 1fag h VAL 26 Ca 0.08 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1fag h VAL 26 Cb 0.09 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1fag h VAL 26 CO -0.01 0.07 -0.19 1.56 0.02 0.00 0.00 177.57 179.02 1fag h GLN 27 N 0.37 0.00 -0.17 1.57 4.20 -1.98 0.12 115.11 119.22 1fag h GLN 27 Ca 0.17 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 1fag h GLN 27 Cb 0.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1fag h GLN 27 CO -0.14 0.19 -0.21 0.00 -0.67 0.00 0.00 178.83 178.00 1fag h ALA 28 N 1.81 0.26 -0.49 3.87 0.00 -0.76 -2.27 119.26 121.67 1fag h ALA 28 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1fag h ALA 28 Cb 0.35 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1fag h ALA 28 CO 0.02 0.20 0.25 -0.07 0.00 0.00 0.00 179.25 179.66 1fag h LEU 29 N 0.09 0.61 -0.34 0.00 3.38 0.17 -0.56 115.31 118.66 1fag h LEU 29 Ca 0.02 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1fag h LEU 29 Cb 0.77 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1fag h LEU 29 CO 0.05 0.51 0.15 0.24 0.09 0.00 0.00 178.44 179.49 1fag h MET 30 N 0.69 0.50 -0.23 1.13 2.86 -0.63 0.24 114.93 119.49 1fag h MET 30 Ca 0.17 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1fag h MET 30 Cb 0.05 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1fag h MET 30 CO -0.03 0.47 0.11 -0.22 1.06 0.00 0.00 176.91 178.31 1fag h LYS 31 N 0.41 0.33 -0.58 1.72 3.64 -0.73 0.28 116.57 121.65 1fag h LYS 31 Ca 0.12 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1fag h LYS 31 Cb 0.14 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1fag h LYS 31 CO -0.01 0.33 0.38 0.82 -2.27 0.00 0.00 179.45 178.70 1fag h ILE 32 N 0.24 1.13 -0.42 2.00 2.04 -0.89 0.37 117.51 121.98 1fag h ILE 32 Ca 0.08 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 1fag h ILE 32 Cb 0.11 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1fag h ILE 32 CO -0.01 0.14 0.03 0.00 0.00 0.00 0.00 178.15 178.30 1fag h ALA 33 N 1.65 0.56 -0.58 1.87 0.00 0.32 0.43 119.26 123.51 1fag h ALA 33 Ca 0.22 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1fag h ALA 33 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1fag h ALA 33 CO -0.05 0.32 0.38 -0.44 0.00 0.00 0.00 179.25 179.46 1fag h ASP 34 N 0.56 0.63 0.66 0.00 3.32 0.14 0.63 116.42 122.36 1fag h ASP 34 Ca 0.12 -0.01 -0.27 0.00 0.02 0.00 0.00 57.03 56.89 1fag h ASP 34 Cb 0.44 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 1fag h ASP 34 CO 0.02 0.45 -1.44 -0.08 -1.72 0.00 0.00 179.24 176.47 1fag h GLU 35 N 0.74 0.04 0.00 3.56 4.81 -0.50 -3.38 114.58 119.85 1fag h GLU 35 Ca 0.22 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1fag h GLU 35 Cb -0.02 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1fag h GLU 35 CO -0.05 0.77 -1.52 1.28 -0.73 0.00 0.00 179.01 178.76 1fag n LEU 36 N -3.22 0.40 0.00 1.64 4.77 0.15 -5.09 117.00 115.65 1fag n LEU 36 Ca -0.11 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1fag n LEU 36 Cb 1.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1fag n LEU 36 CO 0.46 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1fag n GLY 37 N 1.39 -1.83 0.40 -0.72 0.00 0.22 -4.58 105.19 100.07 1fag n GLY 37 Ca -0.01 -2.01 0.21 0.00 0.00 0.00 0.00 46.02 44.21 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 0.00 0.00 -1.94 1.61 4.11 -1.94 -3.43 114.58 112.99 1fag h GLU 38 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1fag h GLU 38 Cb 0.00 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.04 1fag h GLU 38 CO 0.00 0.00 0.18 -1.50 0.07 0.00 0.00 179.01 177.76 1fag s ILE 39 N -4.59 0.00 0.05 -1.06 2.07 -1.26 -0.18 121.20 116.24 1fag s ILE 39 Ca -0.04 0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.03 1fag s ILE 39 Cb 0.15 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.77 1fag s ILE 39 CO 0.54 0.00 0.38 0.72 -1.91 0.00 0.00 174.94 174.67 1fag s PHE 40 N 0.18 -0.21 0.03 3.50 -0.71 -1.00 -4.56 117.98 115.20 1fag s PHE 40 Ca -0.01 0.11 -0.18 0.00 -1.04 0.00 0.00 56.93 55.81 1fag s PHE 40 Cb -0.04 0.19 -0.06 0.00 -1.21 0.00 0.00 43.02 41.89 1fag s PHE 40 CO 0.01 -0.57 0.53 0.21 -1.34 0.00 0.00 175.22 174.06 1fag s LYS 41 N -2.68 4.17 -0.20 1.99 2.20 0.99 -1.39 119.74 124.82 1fag s LYS 41 Ca -0.04 0.64 -0.00 0.00 -0.36 0.00 0.00 55.97 56.21 1fag s LYS 41 Cb -0.00 -3.27 0.05 0.00 -1.51 0.00 0.00 37.83 33.10 1fag s LYS 41 CO -0.04 0.57 -0.05 0.12 -0.36 0.00 0.00 175.35 175.59 1fag s PHE 42 N -0.82 2.01 0.14 4.03 2.19 0.12 -4.24 117.98 121.41 1fag s PHE 42 Ca 0.28 -1.41 0.06 0.00 0.33 0.00 0.00 56.93 56.19 1fag s PHE 42 Cb -0.18 -1.43 -0.04 0.00 -1.31 0.00 0.00 43.02 40.05 1fag s PHE 42 CO 0.17 -0.70 0.01 -2.00 1.83 0.00 0.00 175.22 174.53 1fag s GLU 43 N 1.53 2.51 0.27 10.12 2.12 -1.26 -1.50 118.70 132.49 1fag s GLU 43 Ca -0.03 -0.97 -0.13 0.00 0.36 0.00 0.00 54.97 54.20 1fag s GLU 43 Cb -0.17 -2.46 0.01 0.00 0.26 0.00 0.00 34.13 31.76 1fag s GLU 43 CO -0.07 0.49 0.54 0.00 -0.54 0.00 0.00 175.26 175.69 1fag s ALA 44 N -1.55 -0.34 -0.10 6.30 0.00 -1.10 -1.55 121.76 123.43 1fag s ALA 44 Ca 0.27 -0.84 -0.32 0.00 0.00 0.00 0.00 51.96 51.07 1fag s ALA 44 Cb -0.10 1.01 -0.09 0.00 0.00 0.00 0.00 23.12 23.93 1fag s ALA 44 CO 0.19 -0.89 2.01 -2.30 0.00 0.00 0.00 175.76 174.77 1fag n PRO 45 N -0.43 2.28 0.00 0.00 -0.02 -1.26 -3.34 135.00 132.23 1fag n PRO 45 Ca -0.02 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1fag n PRO 45 Cb 0.61 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1fag n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fag n GLY 46 N 4.92 2.06 3.89 -1.23 0.00 -1.26 -4.97 105.19 108.61 1fag n GLY 46 Ca 0.25 -0.38 -0.30 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 0.63 -0.29 1.61 1.70 -1.21 -5.11 118.95 116.28 1fag s ARG 47 Ca 0.00 -0.31 -0.24 0.00 -0.47 0.00 0.00 55.73 54.71 1fag s ARG 47 Cb 0.00 -1.84 0.16 0.00 -0.57 0.00 0.00 34.95 32.71 1fag s ARG 47 CO 0.00 -2.44 1.25 0.54 -1.08 0.00 0.00 175.30 173.58 1fag s VAL 48 N -3.76 0.00 0.27 4.99 0.11 -1.26 -2.69 120.40 118.05 1fag s VAL 48 Ca 0.72 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.56 1fag s VAL 48 Cb -0.05 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1fag s VAL 48 CO 0.53 0.00 0.72 0.28 -3.33 0.00 0.00 175.10 173.30 1fag s THR 49 N 0.23 0.00 -0.14 5.04 -1.32 -0.56 -4.64 115.64 114.24 1fag s THR 49 Ca 0.04 -0.93 0.02 0.00 -1.21 0.00 0.00 61.69 59.61 1fag s THR 49 Cb -0.05 -1.94 0.01 0.00 -1.51 0.00 0.00 72.50 69.02 1fag s THR 49 CO -0.12 0.00 -0.19 -0.13 -2.21 0.00 0.00 174.62 171.97 1fag s ARG 50 N -3.90 2.76 -0.24 7.08 0.52 -1.08 -0.70 118.95 123.39 1fag s ARG 50 Ca 0.10 -0.75 -0.18 0.00 -0.52 0.00 0.00 55.73 54.38 1fag s ARG 50 Cb -0.06 -2.31 -0.03 0.00 0.52 0.00 0.00 34.95 33.07 1fag s ARG 50 CO 0.06 -0.10 0.52 0.71 0.02 0.00 0.00 175.30 176.51 1fag s TYR 51 N 1.05 3.30 -0.10 -0.53 1.51 -0.49 0.39 117.35 122.48 1fag s TYR 51 Ca -0.02 0.68 -0.05 0.00 -1.01 0.00 0.00 57.07 56.66 1fag s TYR 51 Cb -0.14 -2.71 -0.04 0.00 -0.11 0.00 0.00 41.96 38.96 1fag s TYR 51 CO -0.06 -0.23 0.10 -0.51 -1.11 0.00 0.00 175.55 173.75 1fag s LEU 52 N 2.12 4.15 0.00 -1.29 1.02 0.58 -2.39 118.68 122.87 1fag s LEU 52 Ca 0.22 0.36 0.00 0.00 0.02 0.00 0.00 54.13 54.73 1fag s LEU 52 Cb -0.16 -2.04 0.00 0.00 0.02 0.00 0.00 46.19 44.02 1fag s LEU 52 CO 0.09 0.39 0.00 -1.20 0.02 0.00 0.00 176.35 175.65 1fag n SER 53 N 1.94 3.72 -4.77 2.29 7.64 0.75 -1.95 113.62 123.25 1fag n SER 53 Ca -0.19 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.31 1fag n SER 53 Cb 0.54 0.30 -0.06 0.00 -1.01 0.00 0.00 64.21 63.98 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 -2.84 7.40 0.21 6.43 1.04 -1.21 -2.96 113.70 121.77 1fag s SER 54 Ca 0.00 1.89 -0.10 0.00 0.48 0.00 0.00 55.95 58.21 1fag s SER 54 Cb 0.00 -2.59 0.15 0.00 0.10 0.00 0.00 66.02 63.68 1fag s SER 54 CO 0.00 -0.02 1.88 -0.61 0.98 0.00 0.00 173.24 175.46 1fag h GLN 55 N 3.43 0.97 -0.41 4.02 -0.00 -1.87 0.89 115.11 122.15 1fag h GLN 55 Ca -0.46 -0.06 0.12 0.00 -0.00 0.00 0.00 58.65 58.25 1fag h GLN 55 Cb 1.20 -0.22 -0.02 0.00 0.00 0.00 0.00 27.48 28.44 1fag h GLN 55 CO 0.66 0.64 0.29 0.07 0.00 0.00 0.00 178.83 180.49 1fag h ARG 56 N 1.00 0.00 0.07 1.69 0.11 -1.93 0.39 114.38 115.71 1fag h ARG 56 Ca 0.27 -0.00 -0.35 0.00 0.10 0.00 0.00 59.98 60.00 1fag h ARG 56 Cb -0.11 -0.00 -0.03 0.00 1.11 0.00 0.00 29.97 30.94 1fag h ARG 56 CO -0.06 0.00 -2.01 1.28 0.10 0.00 0.00 179.97 179.28 1fag n LEU 57 N -4.42 2.11 -0.05 0.08 7.99 -0.77 -4.11 117.00 117.83 1fag n LEU 57 Ca 0.07 0.21 -0.08 0.00 -0.01 0.00 0.00 56.01 56.19 1fag n LEU 57 Cb 0.49 -0.70 -0.02 0.00 -0.11 0.00 0.00 43.42 43.08 1fag n LEU 57 CO 0.36 0.73 0.87 0.40 -1.51 0.00 0.00 177.39 178.25 1fag h ILE 58 N 0.04 0.85 -0.72 -0.08 1.08 0.38 -1.38 117.51 117.69 1fag h ILE 58 Ca -0.42 -0.03 0.18 0.00 -0.39 0.00 0.00 64.86 64.20 1fag h ILE 58 Cb 2.03 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 36.49 1fag h ILE 58 CO 0.06 0.02 0.50 0.07 -0.69 0.00 0.00 178.15 178.11 1fag h LYS 59 N 0.09 0.20 0.02 2.37 2.10 -0.46 0.15 116.57 121.04 1fag h LYS 59 Ca 0.11 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1fag h LYS 59 Cb 0.13 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 1fag h LYS 59 CO -0.17 0.13 -0.01 0.93 -2.00 0.00 0.00 179.45 178.33 1fag h GLU 60 N 0.20 -0.02 -0.25 0.07 5.08 -1.46 -3.17 114.58 115.03 1fag h GLU 60 Ca 0.35 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.79 1fag h GLU 60 Cb 1.09 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1fag h GLU 60 CO -0.07 0.68 0.20 0.00 -1.00 0.00 0.00 179.01 178.83 1fag h ALA 61 N 0.16 2.12 -0.27 3.43 0.00 -0.21 -1.08 119.26 123.41 1fag h ALA 61 Ca -0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1fag h ALA 61 Cb 0.72 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 1fag h ALA 61 CO 0.00 -0.33 0.20 0.00 0.00 0.00 0.00 179.25 179.12 1fag s ASP 63 N 0.53 5.13 0.55 0.00 2.15 -0.41 -4.95 116.67 119.67 1fag s ASP 63 Ca 0.16 -1.88 0.33 0.00 0.43 0.00 0.00 52.55 51.59 1fag s ASP 63 Cb 0.13 -1.78 1.49 0.00 -0.30 0.00 0.00 42.92 42.46 1fag s ASP 63 CO 0.02 -0.47 1.84 -0.08 -0.17 0.00 0.00 175.17 176.32 1fag h GLU 64 N 7.99 0.00 0.00 4.34 4.81 -1.84 0.81 114.58 130.69 1fag h GLU 64 Ca -0.14 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 1fag h GLU 64 Cb 1.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1fag h GLU 64 CO 0.64 0.00 -0.32 0.77 -0.73 0.00 0.00 179.01 179.38 1fag h SER 65 N 0.00 0.00 0.00 1.04 0.02 -1.96 -3.31 113.55 109.34 1fag h SER 65 Ca 0.45 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.26 1fag h SER 65 Cb 1.88 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.40 1fag h SER 65 CO -0.00 0.32 -1.59 0.54 -1.14 0.00 0.00 176.83 174.95 1fag n ARG 66 N -4.12 2.15 -4.19 3.45 1.74 0.10 -4.92 116.66 110.88 1fag n ARG 66 Ca -0.02 -0.02 -0.19 0.00 -0.77 0.00 0.00 57.85 56.85 1fag n ARG 66 Cb 0.36 -1.23 -0.16 0.00 -1.02 0.00 0.00 32.46 30.41 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 -2.30 0.71 0.30 -1.55 0.08 -0.15 -0.03 117.98 115.04 1fag s PHE 67 Ca -0.04 -0.18 0.10 0.00 0.12 0.00 0.00 56.93 56.93 1fag s PHE 67 Cb 0.03 -0.60 -0.05 0.00 -0.57 0.00 0.00 43.02 41.83 1fag s PHE 67 CO 0.38 -0.15 -0.08 0.34 -0.10 0.00 0.00 175.22 175.61 1fag s ASP 68 N 0.66 4.01 0.18 1.36 2.15 -1.18 -4.00 116.67 119.86 1fag s ASP 68 Ca -0.09 -0.94 -0.32 0.00 0.43 0.00 0.00 52.55 51.63 1fag s ASP 68 Cb -0.12 -0.51 -0.12 0.00 -0.30 0.00 0.00 42.92 41.87 1fag s ASP 68 CO 0.00 -0.08 1.73 1.17 -0.17 0.00 0.00 175.17 177.83 1fag n LYS 69 N -0.80 2.70 -4.32 4.34 4.81 -1.26 -1.83 118.16 121.79 1fag n LYS 69 Ca -0.05 0.98 -0.32 0.00 -0.87 0.00 0.00 58.31 58.05 1fag n LYS 69 Cb 0.61 -2.83 -0.09 0.00 0.02 0.00 0.00 35.03 32.74 1fag n LYS 69 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1fag s ASN 70 N 1.50 4.81 -0.59 3.14 2.47 0.39 -4.63 114.94 122.03 1fag s ASN 70 Ca 0.77 -0.14 -0.25 0.00 0.42 0.00 0.00 52.86 53.66 1fag s ASN 70 Cb -0.52 -1.14 0.04 0.00 -1.45 0.00 0.00 41.25 38.18 1fag s ASN 70 CO 0.34 0.25 1.01 -0.76 -3.72 0.00 0.00 177.10 174.23 1fag s LEU 71 N -1.71 3.96 0.78 3.21 1.02 -1.26 -4.22 118.68 120.47 1fag s LEU 71 Ca 0.20 -0.40 -0.13 0.00 0.02 0.00 0.00 54.13 53.82 1fag s LEU 71 Cb -0.11 -2.78 0.07 0.00 0.02 0.00 0.00 46.19 43.38 1fag s LEU 71 CO 0.11 -1.36 1.17 -0.94 0.02 0.00 0.00 176.35 175.35 1fag s SER 72 N 3.09 3.94 0.31 2.29 1.04 -1.26 -4.66 113.70 118.45 1fag s SER 72 Ca 0.31 2.20 0.07 0.00 0.48 0.00 0.00 55.95 59.02 1fag s SER 72 Cb -0.12 -2.57 0.79 0.00 0.10 0.00 0.00 66.02 64.22 1fag s SER 72 CO 0.18 -2.43 1.76 -0.61 0.98 0.00 0.00 173.24 173.12 1fag h GLN 73 N -0.85 0.66 0.21 4.02 5.75 -1.99 0.11 115.11 123.03 1fag h GLN 73 Ca -0.46 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1fag h GLN 73 Cb 1.27 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.64 1fag h GLN 73 CO 0.48 0.44 -0.44 0.00 -2.65 0.00 0.00 178.83 176.65 1fag h ALA 74 N 1.68 -0.99 -0.31 3.38 0.00 -1.90 -1.63 119.26 119.49 1fag h ALA 74 Ca 0.60 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.43 1fag h ALA 74 Cb 1.02 0.78 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 1fag h ALA 74 CO -0.42 -1.07 0.21 -0.07 0.00 0.00 0.00 179.25 177.90 1fag h LEU 75 N -0.71 0.22 -0.99 0.00 3.38 -1.45 -0.02 115.31 115.74 1fag h LEU 75 Ca -0.02 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1fag h LEU 75 Cb 0.68 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1fag h LEU 75 CO -0.18 0.15 0.37 0.11 0.09 0.00 0.00 178.44 178.98 1fag h LYS 76 N 0.25 1.09 -0.15 1.13 1.79 -0.00 -0.53 116.57 120.15 1fag h LYS 76 Ca 0.13 -0.15 -0.19 0.00 -2.18 0.00 0.00 60.65 58.26 1fag h LYS 76 Cb 0.22 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1fag h LYS 76 CO -0.03 0.84 -0.69 0.74 -1.08 0.00 0.00 179.45 179.23 1fag h PHE 77 N 1.08 0.83 0.00 -1.35 0.04 -0.15 -2.86 116.94 114.53 1fag h PHE 77 Ca 0.26 -0.34 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 1fag h PHE 77 Cb 0.10 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.11 1fag h PHE 77 CO 0.01 1.13 -0.09 0.28 -0.60 0.00 0.00 178.31 179.04 1fag h VAL 78 N 0.45 0.41 0.00 -0.55 2.07 -0.81 -1.86 116.25 115.96 1fag h VAL 78 Ca -0.03 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1fag h VAL 78 Cb 1.28 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1fag h VAL 78 CO 0.13 0.09 -0.07 -0.09 0.02 0.00 0.00 177.57 177.65 1fag h ARG 79 N 0.00 0.00 -0.60 1.57 2.43 -0.86 0.34 114.38 117.25 1fag h ARG 79 Ca -0.00 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.34 1fag h ARG 79 Cb 0.34 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1fag h ARG 79 CO 0.01 0.07 0.52 -0.44 -1.51 0.00 0.00 179.97 178.63 1fag h ASP 80 N 0.00 0.00 0.00 -3.80 3.32 -1.45 0.53 116.42 115.03 1fag h ASP 80 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1fag h ASP 80 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1fag h ASP 80 CO 0.01 0.00 -0.75 2.22 -1.72 0.00 0.00 179.24 179.00 1fag n PHE 81 N -3.98 0.00 1.13 4.55 -1.74 -0.79 -4.69 117.46 111.95 1fag n PHE 81 Ca 0.12 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.13 1fag n PHE 81 Cb 0.75 0.00 0.24 0.00 1.52 0.00 0.00 39.48 42.00 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 -1.16 3.40 -0.13 1.98 0.00 0.04 -4.90 120.51 119.73 1fag n ALA 82 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1fag n ALA 82 Cb 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 1.40 2.06 2.68 0.00 0.00 0.18 -2.07 105.19 109.45 1fag n GLY 83 Ca 0.10 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.07 7.19 -4.87 1.61 5.75 -1.26 -4.36 116.55 120.55 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 0.05 0.00 -1.03 0.00 0.00 41.12 39.18 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 -1.63 1.63 0.14 6.12 0.00 -0.88 -4.61 107.32 108.09 1fag s GLY 85 Ca 0.55 -0.26 -0.21 0.00 0.00 0.00 0.00 44.72 44.79 1fag s GLY 85 CO -0.27 0.09 1.19 1.04 0.00 0.00 0.00 173.10 175.15 1fag n LEU 86 N -3.03 -0.74 -0.24 0.66 4.32 -1.26 -0.76 117.00 115.95 1fag n LEU 86 Ca 0.07 1.36 0.05 0.00 -0.02 0.00 0.00 56.01 57.47 1fag n LEU 86 Cb 0.56 -0.21 0.30 0.00 -1.62 0.00 0.00 43.42 42.45 1fag n LEU 86 CO 0.57 -1.14 1.23 0.15 -1.22 0.00 0.00 177.39 176.99 1fag h PHE 87 N 0.00 0.90 -0.43 -1.77 3.04 -1.94 -3.14 116.94 113.60 1fag h PHE 87 Ca 0.16 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1fag h PHE 87 Cb 0.35 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.56 1fag h PHE 87 CO -0.76 0.48 0.00 0.25 -2.02 0.00 0.00 178.31 176.26 1fag n THR 88 N -4.48 0.90 -3.96 4.41 -2.24 0.06 -4.99 114.28 103.97 1fag n THR 88 Ca 0.12 -0.95 -0.32 0.00 -2.27 0.00 0.00 64.05 60.64 1fag n THR 88 Cb 0.21 0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.03 6.14 0.68 3.42 1.04 -0.71 -4.73 113.70 118.52 1fag s SER 89 Ca 0.30 0.22 -0.16 0.00 0.48 0.00 0.00 55.95 56.80 1fag s SER 89 Cb 0.16 -1.85 0.01 0.00 0.10 0.00 0.00 66.02 64.45 1fag s SER 89 CO 0.21 0.20 1.17 0.26 0.98 0.00 0.00 173.24 176.06 1fag s TRP 90 N -1.42 2.30 0.09 5.02 0.52 -1.26 -4.95 118.94 119.24 1fag s TRP 90 Ca 0.31 1.57 -0.21 0.00 0.02 0.00 0.00 56.10 57.79 1fag s TRP 90 Cb -0.13 -3.37 -0.11 0.00 -1.15 0.00 0.00 33.47 28.72 1fag s TRP 90 CO 0.24 -2.22 1.67 1.15 0.02 0.00 0.00 176.95 177.81 1fag h THR 91 N 0.02 1.11 -0.65 2.01 2.02 -1.97 -2.96 112.91 112.48 1fag h THR 91 Ca -0.48 -0.30 -0.48 0.00 0.77 0.00 0.00 66.41 65.92 1fag h THR 91 Cb 1.28 1.07 -0.11 0.00 -1.74 0.00 0.00 68.15 68.65 1fag h THR 91 CO 0.52 0.10 1.02 1.41 0.37 0.00 0.00 175.52 178.93 1fag n HIS 92 N -4.94 1.45 -4.02 3.16 8.25 -1.26 -4.46 115.22 113.40 1fag n HIS 92 Ca -0.05 -2.14 -0.25 0.00 -0.26 0.00 0.00 57.72 55.02 1fag n HIS 92 Cb 0.08 -1.68 -0.17 0.00 1.12 0.00 0.00 29.99 29.35 1fag n HIS 92 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1fag s GLU 93 N -0.34 1.40 0.24 -0.41 2.12 -1.12 -5.04 118.70 115.55 1fag s GLU 93 Ca 0.62 -0.23 -0.05 0.00 0.36 0.00 0.00 54.97 55.68 1fag s GLU 93 Cb 0.30 -1.43 0.46 0.00 0.26 0.00 0.00 34.13 33.72 1fag s GLU 93 CO -0.11 -0.21 1.33 1.17 -0.54 0.00 0.00 175.26 176.89 1fag n LYS 94 N 4.71 -0.07 0.24 4.30 3.00 -1.26 -0.14 118.16 128.94 1fag n LYS 94 Ca -0.14 1.31 0.08 0.00 -0.00 0.00 0.00 58.31 59.55 1fag n LYS 94 Cb 0.50 -1.99 0.59 0.00 0.00 0.00 0.00 35.03 34.13 1fag n LYS 94 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1fag h ASN 95 N 0.00 0.00 0.01 3.14 -0.26 -1.93 -2.70 115.58 113.84 1fag h ASN 95 Ca 0.44 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.18 1fag h ASN 95 Cb 0.74 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.00 1fag h ASN 95 CO -0.86 0.14 -0.01 -0.25 -1.06 0.00 0.00 177.43 175.40 1fag h TRP 96 N 0.00 -0.02 -0.73 1.19 7.01 -0.79 -1.50 115.95 121.11 1fag h TRP 96 Ca -0.00 -0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.15 1fag h TRP 96 Cb 0.27 0.01 -0.10 0.00 -2.10 0.00 0.00 29.16 27.23 1fag h TRP 96 CO 0.00 -0.01 0.23 -0.22 -2.79 0.00 0.00 178.44 175.65 1fag h LYS 97 N -0.02 0.33 0.03 2.65 1.63 -1.63 0.23 116.57 119.79 1fag h LYS 97 Ca -0.00 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1fag h LYS 97 Cb 0.01 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 1fag h LYS 97 CO 0.00 0.22 -0.27 -0.22 -3.45 0.00 0.00 179.45 175.73 1fag h LYS 98 N 0.34 -0.35 -0.86 1.90 3.64 -1.53 0.45 116.57 120.17 1fag h LYS 98 Ca 0.41 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.88 1fag h LYS 98 Cb 0.66 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.51 1fag h LYS 98 CO -0.46 -0.23 0.56 0.00 -2.27 0.00 0.00 179.45 177.05 1fag h ALA 99 N -1.00 1.58 0.13 5.00 0.00 -0.72 -0.15 119.26 124.09 1fag h ALA 99 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1fag h ALA 99 Cb 0.38 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1fag h ALA 99 CO -0.16 0.28 -0.26 1.25 0.00 0.00 0.00 179.25 180.36 1fag h HIS 100 N 0.94 -0.69 -0.21 0.00 -0.00 0.20 0.52 115.15 115.91 1fag h HIS 100 Ca 0.37 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.75 1fag h HIS 100 Cb 0.25 0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.93 1fag h HIS 100 CO -0.00 -0.36 0.11 -0.91 -0.00 0.00 0.00 177.93 176.77 1fag h ASN 101 N -0.47 0.27 -0.28 3.26 2.35 -0.16 0.66 115.58 121.20 1fag h ASN 101 Ca 0.03 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1fag h ASN 101 Cb 0.49 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1fag h ASN 101 CO -0.14 0.28 0.18 0.40 -1.65 0.00 0.00 177.43 176.50 1fag h ILE 102 N 0.23 1.05 0.00 2.81 2.04 -0.80 -3.32 117.51 119.52 1fag h ILE 102 Ca 0.07 -0.12 -0.20 0.00 1.00 0.00 0.00 64.86 65.61 1fag h ILE 102 Cb 0.08 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1fag h ILE 102 CO -0.01 0.07 -1.25 -0.07 0.00 0.00 0.00 178.15 176.88 1fag h LEU 103 N 0.36 0.00 -0.89 1.44 -0.00 0.13 -3.39 115.31 112.96 1fag h LEU 103 Ca 0.11 0.00 0.24 0.00 -0.00 0.00 0.00 57.88 58.23 1fag h LEU 103 Cb -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 40.50 1fag h LEU 103 CO -0.04 0.75 0.27 0.25 -0.00 0.00 0.00 178.44 179.67 1fag h LEU 104 N 0.00 0.07 -1.67 1.67 5.85 -0.96 -1.38 115.31 118.88 1fag h LEU 104 Ca -0.14 0.19 0.29 0.00 0.84 0.00 0.00 57.88 59.07 1fag h LEU 104 Cb 1.69 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 42.90 1fag h LEU 104 CO 0.07 -0.14 0.73 -0.65 -0.34 0.00 0.00 178.44 178.11 1fag h PRO 105 N 0.23 0.20 0.00 5.25 0.11 -1.77 -0.52 132.00 135.51 1fag h PRO 105 Ca 0.56 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1fag h PRO 105 Cb 1.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1fag h PRO 105 CO -0.64 0.13 0.00 0.43 -0.21 0.00 0.00 178.00 177.71 1fag n SER 106 N -4.42 0.00 -2.07 -2.05 7.64 -0.52 -2.89 113.62 109.32 1fag n SER 106 Ca 0.24 -0.80 -0.07 0.00 1.01 0.00 0.00 58.87 59.25 1fag n SER 106 Cb 1.02 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 64.28 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 -0.69 1.46 -3.82 1.43 3.72 -0.20 -4.82 117.46 114.54 1fag n PHE 107 Ca 0.05 -1.86 -0.22 0.00 -0.05 0.00 0.00 57.45 55.36 1fag n PHE 107 Cb 0.02 -0.26 -0.02 0.00 -0.94 0.00 0.00 39.48 38.28 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 -3.41 6.32 0.32 4.37 1.04 -1.14 -4.92 113.70 116.28 1fag s SER 108 Ca 0.38 0.18 0.08 0.00 0.48 0.00 0.00 55.95 57.07 1fag s SER 108 Cb 0.37 -1.91 0.93 0.00 0.10 0.00 0.00 66.02 65.51 1fag s SER 108 CO -0.03 -0.11 1.60 -0.61 0.98 0.00 0.00 173.24 175.07 1fag h GLN 109 N 1.21 0.08 -0.07 4.02 5.75 -1.98 0.32 115.11 124.44 1fag h GLN 109 Ca -0.51 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 57.98 1fag h GLN 109 Cb 1.22 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.75 1fag h GLN 109 CO 0.62 0.05 0.01 1.96 -2.65 0.00 0.00 178.83 178.82 1fag h GLN 110 N 0.08 0.13 -0.49 1.69 4.20 -1.96 -2.81 115.11 115.94 1fag h GLN 110 Ca 0.67 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 59.42 1fag h GLN 110 Cb 1.52 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 29.23 1fag h GLN 110 CO -0.79 0.35 0.15 0.00 -0.67 0.00 0.00 178.83 177.88 1fag h ALA 111 N 0.77 0.59 -0.72 3.87 0.00 -0.73 0.50 119.26 123.54 1fag h ALA 111 Ca 0.02 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1fag h ALA 111 Cb 0.29 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1fag h ALA 111 CO 0.00 -0.25 0.47 0.52 0.00 0.00 0.00 179.25 180.00 1fag h MET 112 N 0.32 0.54 0.00 0.00 2.86 -1.21 0.40 114.93 117.83 1fag h MET 112 Ca 0.24 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 1fag h MET 112 Cb 0.27 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1fag h MET 112 CO -0.26 0.36 -0.30 0.87 1.06 0.00 0.00 176.91 178.64 1fag h LYS 113 N 0.56 0.00 0.17 1.72 1.57 -0.65 -1.91 116.57 118.03 1fag h LYS 113 Ca 0.33 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.80 1fag h LYS 113 Cb 0.56 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.88 1fag h LYS 113 CO -0.11 0.30 -1.47 0.78 -0.57 0.00 0.00 179.45 178.37 1fag h GLY 114 N 0.93 0.41 1.03 3.86 0.00 0.24 -3.34 103.07 106.19 1fag h GLY 114 Ca -0.00 -1.06 -0.08 0.00 0.00 0.00 0.00 47.33 46.19 1fag h GLY 114 CO 0.04 0.93 0.01 -0.97 0.00 0.00 0.00 176.54 176.55 1fag h TYR 115 N 0.10 1.00 -0.72 5.60 0.05 -0.92 -3.31 116.97 118.77 1fag h TYR 115 Ca -0.23 -0.17 0.17 0.00 0.05 0.00 0.00 58.73 58.55 1fag h TYR 115 Cb 2.06 -0.26 -0.14 0.00 1.01 0.00 0.00 36.73 39.40 1fag h TYR 115 CO 0.09 0.92 -0.09 1.58 -1.05 0.00 0.00 178.16 179.61 1fag n HIS 116 N -4.30 0.36 0.02 4.88 -0.00 -0.73 -0.87 115.22 114.58 1fag n HIS 116 Ca 0.01 0.88 -0.10 0.00 0.46 0.00 0.00 57.72 58.97 1fag n HIS 116 Cb 0.32 -0.98 -0.04 0.00 -0.12 0.00 0.00 29.99 29.17 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 1.45 -0.09 -0.40 1.57 0.00 -1.78 -1.82 119.26 118.18 1fag h ALA 117 Ca 0.39 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 1fag h ALA 117 Cb 0.71 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1fag h ALA 117 CO -0.71 -0.60 -0.06 0.52 0.00 0.00 0.00 179.25 178.40 1fag h MET 118 N -0.19 0.68 -0.44 0.00 2.07 -1.23 -2.40 114.93 113.43 1fag h MET 118 Ca 0.07 -0.19 0.06 0.00 -2.07 0.00 0.00 59.70 57.56 1fag h MET 118 Cb 0.28 -0.07 -0.05 0.00 -1.87 0.00 0.00 31.60 29.89 1fag h MET 118 CO -0.18 0.73 0.16 0.52 1.07 0.00 0.00 176.91 179.21 1fag h MET 119 N 0.63 0.32 -0.15 1.72 2.86 -0.90 0.11 114.93 119.52 1fag h MET 119 Ca 0.12 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1fag h MET 119 Cb 0.48 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1fag h MET 119 CO 0.02 0.21 -0.04 0.28 1.06 0.00 0.00 176.91 178.44 1fag h VAL 120 N 0.33 1.12 -0.62 -2.22 2.07 -0.90 -0.78 116.25 115.26 1fag h VAL 120 Ca 0.21 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1fag h VAL 120 Cb 0.20 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1fag h VAL 120 CO -0.21 0.16 0.36 -0.78 0.02 0.00 0.00 177.57 177.12 1fag h ASP 121 N 0.21 0.55 0.02 0.57 1.82 -0.50 0.01 116.42 119.10 1fag h ASP 121 Ca 0.05 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1fag h ASP 121 Cb 0.22 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.14 1fag h ASP 121 CO 0.01 0.37 -0.01 0.40 -1.61 0.00 0.00 179.24 178.40 1fag h ILE 122 N 0.68 1.43 -0.91 2.25 1.08 -1.06 -2.86 117.51 118.11 1fag h ILE 122 Ca 0.26 -1.54 0.24 0.00 -0.39 0.00 0.00 64.86 63.43 1fag h ILE 122 Cb 0.10 2.44 -0.13 0.00 -3.07 0.00 0.00 36.82 36.16 1fag h ILE 122 CO -0.14 0.39 0.41 0.00 -0.69 0.00 0.00 178.15 178.11 1fag h ALA 123 N 0.21 1.50 -0.10 1.87 0.00 -0.96 0.26 119.26 122.03 1fag h ALA 123 Ca -0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1fag h ALA 123 Cb 0.66 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1fag h ALA 123 CO 0.01 -0.38 0.03 0.28 0.00 0.00 0.00 179.25 179.19 1fag h VAL 124 N 0.38 1.17 -0.99 0.00 2.07 -1.02 -1.34 116.25 116.52 1fag h VAL 124 Ca 0.59 -0.52 0.21 0.00 0.82 0.00 0.00 66.70 67.80 1fag h VAL 124 Cb 1.15 1.32 -0.10 0.00 -1.52 0.00 0.00 31.29 32.15 1fag h VAL 124 CO -0.55 0.15 0.62 1.56 0.02 0.00 0.00 177.57 179.37 1fag h GLN 125 N -0.02 0.60 0.69 1.57 4.20 -0.32 0.35 115.11 122.18 1fag h GLN 125 Ca 0.03 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1fag h GLN 125 Cb 0.21 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 27.86 1fag h GLN 125 CO -0.00 0.39 -0.33 1.25 -0.67 0.00 0.00 178.83 179.47 1fag h LEU 126 N 0.61 -0.79 -0.91 1.46 7.12 -0.59 -0.53 115.31 121.69 1fag h LEU 126 Ca 0.56 0.00 0.14 0.00 0.13 0.00 0.00 57.88 58.71 1fag h LEU 126 Cb 1.08 0.20 -0.09 0.00 -0.53 0.00 0.00 40.66 41.32 1fag h LEU 126 CO -0.32 -0.43 0.52 0.58 -0.13 0.00 0.00 178.44 178.66 1fag h VAL 127 N -1.18 0.80 -0.05 1.05 2.07 -0.28 -0.43 116.25 118.23 1fag h VAL 127 Ca -0.10 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1fag h VAL 127 Cb 0.74 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1fag h VAL 127 CO 0.16 0.14 -0.05 1.56 0.02 0.00 0.00 177.57 179.39 1fag h GLN 128 N 0.77 -0.07 0.02 1.57 1.08 -0.25 0.63 115.11 118.85 1fag h GLN 128 Ca 0.48 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.71 1fag h GLN 128 Cb 0.60 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 28.00 1fag h GLN 128 CO -0.32 -0.05 -0.28 -0.22 -0.95 0.00 0.00 178.83 177.01 1fag h LYS 129 N -0.07 -0.42 -0.12 1.46 3.64 0.44 0.50 116.57 121.99 1fag h LYS 129 Ca 0.04 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1fag h LYS 129 Cb 0.13 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1fag h LYS 129 CO -0.09 -0.28 -0.04 -1.49 -2.27 0.00 0.00 179.45 175.28 1fag h TRP 130 N -0.44 0.18 0.01 1.91 4.06 -0.81 -1.36 115.95 119.49 1fag h TRP 130 Ca 0.06 -0.01 -0.20 0.00 2.06 0.00 0.00 58.89 60.80 1fag h TRP 130 Cb 0.51 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.61 1fag h TRP 130 CO -0.30 0.22 -0.90 0.93 -3.56 0.00 0.00 178.44 174.83 1fag h GLU 131 N 0.18 0.17 0.00 0.49 4.39 0.13 -3.14 114.58 116.80 1fag h GLU 131 Ca 0.04 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1fag h GLU 131 Cb 0.19 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1fag h GLU 131 CO 0.01 0.96 0.00 0.54 -1.16 0.00 0.00 179.01 179.35 1fag n ARG 132 N -3.63 0.79 -2.03 2.33 1.74 0.16 -4.85 116.66 111.17 1fag n ARG 132 Ca -0.03 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.72 1fag n ARG 132 Cb 0.82 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.77 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 -2.21 3.47 0.25 0.55 1.02 -0.91 -5.05 118.68 115.79 1fag s LEU 133 Ca 0.41 1.75 0.10 0.00 0.02 0.00 0.00 54.13 56.41 1fag s LEU 133 Cb 0.21 -4.52 -0.05 0.00 0.02 0.00 0.00 46.19 41.85 1fag s LEU 133 CO 0.40 -1.12 -0.09 0.54 0.02 0.00 0.00 176.35 176.10 1fag s ASN 134 N -2.96 4.14 0.00 2.29 4.22 -1.26 -5.03 114.94 116.34 1fag s ASN 134 Ca 0.62 -0.76 -0.01 0.00 -2.14 0.00 0.00 52.86 50.57 1fag s ASN 134 Cb -0.15 -0.62 -0.00 0.00 1.28 0.00 0.00 41.25 41.76 1fag s ASN 134 CO 0.39 0.04 0.11 0.00 -2.04 0.00 0.00 177.10 175.60 1fag n ALA 135 N -0.58 -0.02 0.29 3.54 0.00 -1.26 0.23 120.51 122.72 1fag n ALA 135 Ca -0.07 0.02 0.17 0.00 0.00 0.00 0.00 53.44 53.56 1fag n ALA 135 Cb 0.58 0.03 0.96 0.00 0.00 0.00 0.00 19.45 21.03 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 -4.10 0.00 2.03 -2.05 -3.43 116.42 108.87 1fag h ASP 136 Ca 0.00 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.85 1fag h ASP 136 Cb 0.01 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.51 1fag h ASP 136 CO -0.02 0.00 0.36 -1.61 -1.03 0.00 0.00 179.24 176.93 1fag s GLU 137 N -4.52 4.07 0.27 4.15 2.02 0.14 -5.08 118.70 119.74 1fag s GLU 137 Ca -0.05 1.11 0.02 0.00 0.02 0.00 0.00 54.97 56.08 1fag s GLU 137 Cb 0.14 -2.15 -0.05 0.00 0.10 0.00 0.00 34.13 32.17 1fag s GLU 137 CO 0.51 -0.18 0.07 -3.38 0.02 0.00 0.00 175.26 172.30 1fag s HIS 138 N -2.28 1.65 0.07 1.61 -3.43 -1.26 -4.79 115.29 106.85 1fag s HIS 138 Ca 0.62 -1.08 0.02 0.00 -0.80 0.00 0.00 55.06 53.82 1fag s HIS 138 Cb -0.10 -1.00 -0.04 0.00 -1.43 0.00 0.00 32.58 30.00 1fag s HIS 138 CO 0.20 -0.20 0.13 0.96 -2.00 0.00 0.00 174.74 173.83 1fag s ILE 139 N -3.58 4.89 -0.58 -5.38 -4.36 0.10 -4.97 121.20 107.32 1fag s ILE 139 Ca 0.36 -0.60 -0.11 0.00 -0.26 0.00 0.00 60.65 60.04 1fag s ILE 139 Cb 0.08 -3.37 0.15 0.00 1.25 0.00 0.00 42.46 40.57 1fag s ILE 139 CO 0.13 0.14 0.48 -1.61 0.24 0.00 0.00 174.94 174.32 1fag s GLU 140 N -2.41 2.83 0.00 0.37 2.02 -1.26 -1.98 118.70 118.27 1fag s GLU 140 Ca 0.31 -2.02 0.00 0.00 0.02 0.00 0.00 54.97 53.29 1fag s GLU 140 Cb -0.13 -4.08 0.00 0.00 0.10 0.00 0.00 34.13 30.02 1fag s GLU 140 CO 0.24 -1.24 0.68 0.28 0.02 0.00 0.00 175.26 175.24 1fag n VAL 141 N 4.56 0.00 0.20 2.63 0.31 -0.77 -1.76 118.33 123.51 1fag n VAL 141 Ca -0.02 1.18 0.18 0.00 -0.01 0.00 0.00 64.34 65.66 1fag n VAL 141 Cb 0.42 -1.80 0.83 0.00 -0.91 0.00 0.00 33.84 32.38 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 0.00 0.15 5.55 0.13 -1.84 0.03 132.00 136.02 1fag h PRO 142 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1fag h PRO 142 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1fag h PRO 142 CO 0.00 0.00 -0.07 0.93 -0.23 0.00 0.00 178.00 178.63 1fag h GLU 143 N 0.00 -0.19 0.00 0.86 3.07 -1.83 -1.20 114.58 115.28 1fag h GLU 143 Ca 0.09 0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.85 1fag h GLU 143 Cb 0.58 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 1fag h GLU 143 CO -0.00 0.12 -0.58 -0.44 -1.40 0.00 0.00 179.01 176.71 1fag h ASP 144 N -0.52 0.00 -0.00 1.42 3.32 -0.46 -1.64 116.42 118.53 1fag h ASP 144 Ca -0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1fag h ASP 144 Cb 0.41 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1fag h ASP 144 CO 0.03 0.58 0.00 0.24 -1.72 0.00 0.00 179.24 178.37 1fag h MET 145 N 0.00 0.00 -0.37 3.56 2.86 -0.95 0.05 114.93 120.07 1fag h MET 145 Ca -0.01 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1fag h MET 145 Cb 1.05 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 1fag h MET 145 CO 0.07 0.24 0.25 1.15 1.06 0.00 0.00 176.91 179.69 1fag h THR 146 N -0.24 1.05 -0.17 2.22 2.02 -1.15 0.17 112.91 116.81 1fag h THR 146 Ca 0.00 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1fag h THR 146 Cb 0.24 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1fag h THR 146 CO 0.00 0.08 0.09 -0.09 0.37 0.00 0.00 175.52 175.97 1fag h ARG 147 N 0.43 0.24 0.66 6.66 2.43 -0.83 -2.03 114.38 121.94 1fag h ARG 147 Ca 0.15 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1fag h ARG 147 Cb 0.05 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1fag h ARG 147 CO -0.03 0.25 -0.32 1.25 -1.51 0.00 0.00 179.97 179.61 1fag h LEU 148 N 0.18 -0.75 -0.65 3.80 5.85 0.91 -3.08 115.31 121.57 1fag h LEU 148 Ca 0.06 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.89 1fag h LEU 148 Cb 0.07 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 1fag h LEU 148 CO -0.01 -0.47 0.23 0.74 -0.34 0.00 0.00 178.44 178.59 1fag h THR 149 N -0.98 0.71 -0.44 1.05 2.02 -0.69 -1.25 112.91 113.33 1fag h THR 149 Ca -0.09 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 1fag h THR 149 Cb 0.70 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1fag h THR 149 CO 0.15 0.07 -0.06 0.25 0.37 0.00 0.00 175.52 176.30 1fag h LEU 150 N 0.39 0.82 -0.49 2.58 5.85 -1.45 -2.23 115.31 120.78 1fag h LEU 150 Ca 0.34 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1fag h LEU 150 Cb 0.47 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1fag h LEU 150 CO -0.35 0.96 0.30 0.44 -0.34 0.00 0.00 178.44 179.44 1fag h ASP 151 N 0.66 0.59 0.39 1.25 5.19 -1.34 -1.21 116.42 121.94 1fag h ASP 151 Ca 0.12 -0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 1fag h ASP 151 Cb 0.58 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.94 1fag h ASP 151 CO 0.03 0.47 -0.22 0.74 -3.12 0.00 0.00 179.24 177.14 1fag h THR 152 N 0.65 0.55 -0.67 0.35 2.02 -1.08 -1.35 112.91 113.38 1fag h THR 152 Ca 0.18 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.31 1fag h THR 152 Cb -0.01 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1fag h THR 152 CO -0.03 0.00 0.25 -0.29 0.37 0.00 0.00 175.52 175.82 1fag h ILE 153 N -0.57 1.24 -0.21 3.11 6.09 -1.36 0.51 117.51 126.31 1fag h ILE 153 Ca -0.05 -0.77 0.01 0.00 -1.37 0.00 0.00 64.86 62.69 1fag h ILE 153 Cb 0.46 0.46 -0.02 0.00 0.47 0.00 0.00 36.82 38.18 1fag h ILE 153 CO 0.06 0.31 0.11 1.23 -3.07 0.00 0.00 178.15 176.78 1fag h GLY 154 N 1.06 0.28 0.49 8.18 0.00 -0.96 0.36 103.07 112.48 1fag h GLY 154 Ca 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1fag h GLY 154 CO -0.02 0.07 -0.23 -2.00 0.00 0.00 0.00 176.54 174.36 1fag h LEU 155 N 0.23 -0.55 -0.51 3.11 5.85 -0.97 0.22 115.31 122.68 1fag h LEU 155 Ca 0.09 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.92 1fag h LEU 155 Cb 0.02 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.11 1fag h LEU 155 CO -0.06 -0.25 0.05 0.00 -0.34 0.00 0.00 178.44 177.84 1fag n GLY 157 N -1.31 -1.38 0.00 0.00 0.00 0.13 -4.52 105.19 98.11 1fag n GLY 157 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1fag n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fag n PHE 158 N -2.60 0.00 -3.77 1.61 3.72 0.19 -1.85 117.46 114.76 1fag n PHE 158 Ca -0.01 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.13 1fag n PHE 158 Cb 0.55 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.14 1fag n PHE 158 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1fag n ASN 159 N -0.09 -4.51 -4.22 4.37 5.15 0.18 -4.93 115.26 111.22 1fag n ASN 159 Ca 0.00 -0.71 -0.30 0.00 -0.60 0.00 0.00 54.58 52.97 1fag n ASN 159 Cb 0.12 -4.29 -0.16 0.00 -0.53 0.00 0.00 39.78 34.91 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 -3.37 2.21 -0.47 1.20 5.04 -0.87 -4.91 117.35 116.18 1fag s TYR 160 Ca 0.51 -0.68 -0.17 0.00 -2.44 0.00 0.00 57.07 54.29 1fag s TYR 160 Cb -0.24 -1.46 0.06 0.00 0.35 0.00 0.00 41.96 40.66 1fag s TYR 160 CO 0.80 -0.22 0.45 1.03 -1.34 0.00 0.00 175.55 176.26 1fag s ARG 161 N -0.04 3.03 0.46 4.97 0.52 -1.26 -2.57 118.95 124.06 1fag s ARG 161 Ca -0.05 -1.12 0.25 0.00 -0.52 0.00 0.00 55.73 54.28 1fag s ARG 161 Cb -0.13 -4.09 1.08 0.00 0.52 0.00 0.00 34.95 32.33 1fag s ARG 161 CO 0.04 -1.02 1.90 0.74 0.02 0.00 0.00 175.30 176.97 1fag h PHE 162 N 8.80 0.00 -6.24 -0.53 0.04 -1.90 -3.46 116.94 113.64 1fag h PHE 162 Ca -0.28 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.03 1fag h PHE 162 Cb 1.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.24 1fag h PHE 162 CO 0.65 0.20 -0.75 0.09 -0.60 0.00 0.00 178.31 177.91 1fag n ASN 163 N -3.48 -5.05 -0.12 2.17 3.02 -1.26 -4.85 115.26 105.69 1fag n ASN 163 Ca -0.01 -0.75 0.20 0.00 -0.03 0.00 0.00 54.58 53.99 1fag n ASN 163 Cb 0.37 -4.04 0.60 0.00 -0.61 0.00 0.00 39.78 36.10 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 -2.18 0.20 0.42 6.41 0.02 -1.90 0.24 113.55 116.76 1fag h SER 164 Ca -0.58 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1fag h SER 164 Cb 1.38 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1fag h SER 164 CO 0.66 0.10 0.00 0.49 -1.14 0.00 0.00 176.83 176.94 1fag n PHE 165 N -4.42 0.00 -0.17 3.45 3.72 -1.26 -2.66 117.46 116.12 1fag n PHE 165 Ca 0.14 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.62 1fag n PHE 165 Cb 0.65 -0.25 0.29 0.00 -0.94 0.00 0.00 39.48 39.23 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 -1.25 1.18 -3.79 1.38 4.02 0.07 -4.87 117.16 113.90 1fag n TYR 166 Ca 0.13 -0.48 -0.13 0.00 -0.01 0.00 0.00 57.90 57.41 1fag n TYR 166 Cb 0.19 -0.19 -0.14 0.00 -0.02 0.00 0.00 39.34 39.19 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 -1.72 0.12 0.20 -0.72 1.70 -1.09 -5.02 118.95 112.42 1fag s ARG 167 Ca 0.42 0.27 0.15 0.00 -0.47 0.00 0.00 55.73 56.10 1fag s ARG 167 Cb 0.26 -0.05 -0.02 0.00 -0.57 0.00 0.00 34.95 34.57 1fag s ARG 167 CO 0.21 -0.09 1.22 0.38 -1.08 0.00 0.00 175.30 175.95 1fag h ASP 168 N 6.57 0.00 -3.01 -2.89 2.03 -1.89 -3.44 116.42 113.79 1fag h ASP 168 Ca -0.34 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.34 1fag h ASP 168 Cb 1.17 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.58 1fag h ASP 168 CO 0.43 0.54 -0.40 -1.10 -1.03 0.00 0.00 179.24 177.68 1fag s GLN 169 N -2.94 3.89 0.00 4.15 -1.52 -1.26 -5.04 119.66 116.95 1fag s GLN 169 Ca 0.01 -0.02 -0.39 0.00 -1.95 0.00 0.00 55.36 53.02 1fag s GLN 169 Cb 0.08 -3.31 -0.19 0.00 -0.22 0.00 0.00 33.01 29.37 1fag s GLN 169 CO 0.77 0.52 1.04 -2.30 -0.25 0.00 0.00 175.29 175.06 1fag n PRO 170 N 2.73 0.00 -1.68 2.91 -0.02 -1.26 -4.81 135.00 132.86 1fag n PRO 170 Ca -0.16 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 60.87 1fag n PRO 170 Cb 0.53 -1.46 -0.04 0.00 -0.02 0.00 0.00 33.50 32.51 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 1.44 2.43 -0.32 6.00 -0.00 -1.26 -4.73 115.22 118.78 1fag n HIS 171 Ca 0.20 0.14 0.07 0.00 0.46 0.00 0.00 57.72 58.59 1fag n HIS 171 Cb 0.08 -2.61 0.16 0.00 -0.12 0.00 0.00 29.99 27.50 1fag n HIS 171 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1fag n PRO 172 N 4.13 -0.08 -0.24 1.57 -0.02 -1.26 0.38 135.00 139.48 1fag n PRO 172 Ca 0.17 1.39 0.04 0.00 -2.02 0.00 0.00 63.50 63.08 1fag n PRO 172 Cb 0.31 -2.10 0.17 0.00 -0.02 0.00 0.00 33.50 31.86 1fag n PRO 172 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1fag h PHE 173 N 0.00 0.30 0.37 6.00 3.57 -1.93 -0.45 116.94 124.80 1fag h PHE 173 Ca 0.46 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.98 1fag h PHE 173 Cb 0.77 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1fag h PHE 173 CO -0.63 -0.05 -0.20 0.82 -2.23 0.00 0.00 178.31 176.02 1fag h ILE 174 N 0.30 0.60 -0.69 1.41 1.08 -0.42 0.26 117.51 120.04 1fag h ILE 174 Ca 0.39 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 65.00 1fag h ILE 174 Cb 0.64 0.60 -0.10 0.00 -3.07 0.00 0.00 36.82 34.89 1fag h ILE 174 CO -0.47 0.00 0.20 0.74 -0.69 0.00 0.00 178.15 177.93 1fag h THR 175 N -0.52 0.61 -0.27 -0.27 2.02 -0.79 0.12 112.91 113.81 1fag h THR 175 Ca -0.05 -0.11 -0.19 0.00 0.77 0.00 0.00 66.41 66.83 1fag h THR 175 Cb 0.41 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1fag h THR 175 CO 0.07 0.06 -0.57 0.28 0.37 0.00 0.00 175.52 175.72 1fag h SER 176 N 0.33 0.94 0.28 4.18 0.02 -0.90 -2.85 113.55 115.55 1fag h SER 176 Ca 0.38 -0.52 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1fag h SER 176 Cb 0.58 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1fag h SER 176 CO -0.43 1.31 -0.25 -0.03 -1.14 0.00 0.00 176.83 176.29 1fag h MET 177 N 0.64 -0.53 -0.76 3.45 -1.53 0.80 -0.40 114.93 116.60 1fag h MET 177 Ca 0.01 0.04 0.07 0.00 -3.44 0.00 0.00 59.70 56.37 1fag h MET 177 Cb 1.18 0.12 -0.05 0.00 -0.55 0.00 0.00 31.60 32.30 1fag h MET 177 CO 0.12 -0.35 0.50 -0.39 0.14 0.00 0.00 176.91 176.93 1fag h VAL 178 N -0.55 1.01 -0.39 -5.77 -1.51 -0.86 -1.22 116.25 106.96 1fag h VAL 178 Ca -0.01 -0.27 -0.15 0.00 -1.23 0.00 0.00 66.70 65.03 1fag h VAL 178 Cb 0.50 0.16 -0.01 0.00 -2.13 0.00 0.00 31.29 29.80 1fag h VAL 178 CO -0.03 0.14 -0.36 0.03 -1.23 0.00 0.00 177.57 176.12 1fag h ARG 179 N 0.79 0.91 -0.32 5.19 3.08 -1.22 0.05 114.38 122.85 1fag h ARG 179 Ca 0.33 -0.46 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 1fag h ARG 179 Cb 0.29 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1fag h ARG 179 CO -0.12 1.11 -0.20 0.00 -1.07 0.00 0.00 179.97 179.70 1fag h ALA 180 N 0.83 1.05 -0.11 0.04 0.00 -0.30 0.01 119.26 120.79 1fag h ALA 180 Ca 0.07 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1fag h ALA 180 Cb 0.94 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1fag h ALA 180 CO 0.09 0.57 -0.13 -0.07 0.00 0.00 0.00 179.25 179.71 1fag h LEU 181 N 0.54 0.30 -0.54 0.00 3.38 -1.17 -1.41 115.31 116.42 1fag h LEU 181 Ca 0.08 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.58 1fag h LEU 181 Cb 0.64 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1fag h LEU 181 CO 0.05 0.75 0.32 -0.78 0.09 0.00 0.00 178.44 178.86 1fag h ASP 182 N -0.13 0.51 -0.40 -0.43 3.58 -0.84 0.52 116.42 119.23 1fag h ASP 182 Ca 0.01 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 1fag h ASP 182 Cb 0.67 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 1fag h ASP 182 CO 0.03 0.36 0.14 -0.08 -2.88 0.00 0.00 179.24 176.81 1fag h GLU 183 N 0.63 0.61 -0.86 0.28 4.57 -0.98 0.41 114.58 119.24 1fag h GLU 183 Ca 0.22 -0.12 0.12 0.00 -1.18 0.00 0.00 59.36 58.40 1fag h GLU 183 Cb 0.04 -0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 28.46 1fag h GLU 183 CO -0.11 0.59 0.48 0.00 -1.18 0.00 0.00 179.01 178.80 1fag h ALA 184 N 0.98 1.27 -0.42 2.92 0.00 -0.63 0.41 119.26 123.80 1fag h ALA 184 Ca 0.13 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1fag h ALA 184 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1fag h ALA 184 CO -0.01 0.03 -0.01 1.98 0.00 0.00 0.00 179.25 181.25 1fag h MET 185 N 0.75 0.74 -0.54 0.00 1.85 -0.31 -3.08 114.93 114.34 1fag h MET 185 Ca 0.44 -0.24 -0.07 0.00 -0.61 0.00 0.00 59.70 59.22 1fag h MET 185 Cb 0.52 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.46 1fag h MET 185 CO -0.30 0.82 0.05 -0.91 -0.40 0.00 0.00 176.91 176.18 1fag h ASN 186 N 0.58 0.85 -0.13 1.39 2.35 0.55 -2.64 115.58 118.53 1fag h ASN 186 Ca 0.12 -0.20 0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1fag h ASN 186 Cb 0.49 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1fag h ASN 186 CO 0.02 0.88 0.14 0.11 -1.65 0.00 0.00 177.43 176.93 1fag h LYS 187 N 0.83 0.00 0.00 0.81 1.57 -0.89 -1.06 116.57 117.83 1fag h LYS 187 Ca 0.17 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1fag h LYS 187 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1fag h LYS 187 CO 0.01 0.00 -0.16 -0.07 -0.57 0.00 0.00 179.45 178.66 1fag h LEU 188 N 0.00 0.00 -1.92 2.94 3.38 -1.51 -2.76 115.31 115.45 1fag h LEU 188 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1fag h LEU 188 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1fag h LEU 188 CO -0.00 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1fag n GLN 189 N -4.04 2.31 -2.46 1.13 6.02 -0.41 -4.96 117.38 114.97 1fag n GLN 189 Ca -0.02 -1.92 -0.42 0.00 -0.01 0.00 0.00 57.00 54.63 1fag n GLN 189 Cb 0.24 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 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 -1.92 4.44 -0.14 -1.09 0.52 -1.04 -4.89 118.95 114.82 1fag s ARG 190 Ca 0.30 1.71 -0.26 0.00 -0.52 0.00 0.00 55.73 56.97 1fag s ARG 190 Cb 0.20 -3.38 -0.23 0.00 0.52 0.00 0.00 34.95 32.06 1fag s ARG 190 CO 0.30 -0.24 0.65 0.00 0.02 0.00 0.00 175.30 176.03 1fag h ALA 191 N 6.86 0.03 -3.27 2.13 0.00 -1.93 -3.43 119.26 119.65 1fag h ALA 191 Ca -0.41 -0.54 -0.60 0.00 0.00 0.00 0.00 54.91 53.36 1fag h ALA 191 Cb 1.21 0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.68 1fag h ALA 191 CO 0.81 0.08 -0.74 -0.80 0.00 0.00 0.00 179.25 178.59 1fag s ASN 192 N -6.24 4.18 0.38 0.00 0.01 -1.26 -5.01 114.94 107.00 1fag s ASN 192 Ca -0.19 -1.86 0.06 0.00 -0.71 0.00 0.00 52.86 50.16 1fag s ASN 192 Cb -0.02 -1.07 0.77 0.00 0.41 0.00 0.00 41.25 41.34 1fag s ASN 192 CO 0.63 -0.39 1.99 -0.65 -1.51 0.00 0.00 177.10 177.17 1fag h PRO 193 N 7.84 0.68 0.00 -0.60 0.11 -1.97 -2.89 132.00 135.17 1fag h PRO 193 Ca -0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1fag h PRO 193 Cb 1.01 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1fag h PRO 193 CO 0.49 0.45 0.00 -0.25 -0.21 0.00 0.00 178.00 178.48 1fag n ASP 194 N -4.47 0.00 -4.68 -2.05 8.00 -1.26 -4.73 116.55 107.37 1fag n ASP 194 Ca 0.08 0.13 -0.50 0.00 0.71 0.00 0.00 54.79 55.21 1fag n ASP 194 Cb 0.17 -0.35 -0.05 0.00 -0.02 0.00 0.00 41.12 40.86 1fag n ASP 194 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1fag n ASP 195 N -1.35 3.02 0.00 -2.24 -0.08 -1.09 -4.77 116.55 110.03 1fag n ASP 195 Ca 0.09 1.03 0.00 0.00 -1.51 0.00 0.00 54.79 54.40 1fag n ASP 195 Cb 0.21 -1.33 0.00 0.00 2.34 0.00 0.00 41.12 42.34 1fag n ASP 195 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1fag n PRO 196 N 5.30 0.00 0.11 -0.67 -0.02 -1.26 -0.62 135.00 137.84 1fag n PRO 196 Ca 0.22 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.50 1fag n PRO 196 Cb 0.25 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.11 1fag n PRO 196 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fag h ALA 197 N 1.49 0.04 0.00 3.55 0.00 -1.93 -3.15 119.26 119.26 1fag h ALA 197 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1fag h ALA 197 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1fag h ALA 197 CO 0.00 0.80 0.00 0.66 0.00 0.00 0.00 179.25 180.71 1fag n TYR 198 N -3.68 0.80 -0.26 0.00 4.01 0.21 -3.38 117.16 114.86 1fag n TYR 198 Ca -0.12 0.29 0.06 0.00 -0.16 0.00 0.00 57.90 57.97 1fag n TYR 198 Cb 1.01 -0.97 0.17 0.00 -0.31 0.00 0.00 39.34 39.25 1fag n TYR 198 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1fag h ASP 199 N 0.00 -0.23 -0.44 7.72 3.32 -1.63 0.22 116.42 125.38 1fag h ASP 199 Ca 0.00 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1fag h ASP 199 Cb 0.47 0.30 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 1fag h ASP 199 CO 0.00 -0.14 0.21 -0.33 -1.72 0.00 0.00 179.24 177.26 1fag h GLU 200 N 0.15 0.63 -0.41 3.56 3.07 -1.78 -1.43 114.58 118.36 1fag h GLU 200 Ca 0.42 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1fag h GLU 200 Cb 0.75 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 1fag h GLU 200 CO -0.62 0.53 0.27 -0.91 -1.40 0.00 0.00 179.01 176.88 1fag h ASN 201 N 0.56 0.48 -0.18 1.42 -0.26 -0.94 -0.94 115.58 115.72 1fag h ASN 201 Ca 0.15 -0.02 -0.19 0.00 -0.56 0.00 0.00 56.30 55.69 1fag h ASN 201 Cb 0.11 -0.12 0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1fag h ASN 201 CO -0.02 0.35 -0.62 0.11 -1.06 0.00 0.00 177.43 176.20 1fag h LYS 202 N 0.56 0.73 -0.37 0.81 1.57 0.01 -0.62 116.57 119.26 1fag h LYS 202 Ca 0.15 -0.55 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 1fag h LYS 202 Cb -0.05 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1fag h LYS 202 CO -0.03 1.17 0.19 -0.09 -0.57 0.00 0.00 179.45 180.12 1fag h ARG 203 N 0.44 0.52 -0.50 3.15 2.43 -0.62 -1.45 114.38 118.36 1fag h ARG 203 Ca -0.03 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1fag h ARG 203 Cb 1.24 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1fag h ARG 203 CO 0.13 0.45 0.13 0.37 -1.51 0.00 0.00 179.97 179.54 1fag h GLN 204 N 0.47 0.74 0.52 0.20 5.75 -1.15 -1.93 115.11 119.71 1fag h GLN 204 Ca 0.13 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1fag h GLN 204 Cb 0.08 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.51 1fag h GLN 204 CO -0.02 0.67 -0.31 0.35 -2.65 0.00 0.00 178.83 176.87 1fag h PHE 205 N 0.72 -0.81 -0.59 3.99 3.57 -0.36 -1.51 116.94 121.96 1fag h PHE 205 Ca 0.16 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.76 1fag h PHE 205 Cb 0.25 0.28 -0.08 0.00 2.79 0.00 0.00 35.95 39.19 1fag h PHE 205 CO 0.01 -0.47 0.13 1.96 -2.23 0.00 0.00 178.31 177.71 1fag h GLN 206 N -0.78 0.26 -0.44 1.11 1.08 -1.16 0.10 115.11 115.28 1fag h GLN 206 Ca -0.06 -0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.21 1fag h GLN 206 Cb 0.63 -0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 27.91 1fag h GLN 206 CO 0.07 0.17 -0.14 1.49 -0.95 0.00 0.00 178.83 179.47 1fag h GLU 207 N 0.26 -0.04 -0.11 1.46 4.81 -0.97 0.11 114.58 120.10 1fag h GLU 207 Ca 0.31 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.41 1fag h GLU 207 Cb 0.45 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1fag h GLU 207 CO -0.39 -0.03 -0.49 -0.44 -0.73 0.00 0.00 179.01 176.94 1fag h ASP 208 N -0.04 0.32 -0.41 1.04 3.32 -0.51 -1.88 116.42 118.25 1fag h ASP 208 Ca 0.21 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 1fag h ASP 208 Cb 0.37 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1fag h ASP 208 CO -0.48 0.76 -0.00 0.40 -1.72 0.00 0.00 179.24 178.20 1fag h ILE 209 N 0.24 1.26 -0.77 0.35 2.04 0.36 -2.58 117.51 118.40 1fag h ILE 209 Ca 0.01 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1fag h ILE 209 Cb 0.95 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 1fag h ILE 209 CO 0.08 0.35 0.49 0.11 0.00 0.00 0.00 178.15 179.18 1fag h LYS 210 N 0.57 1.04 -0.61 2.37 1.79 -0.53 -1.63 116.57 119.57 1fag h LYS 210 Ca 0.12 -0.08 0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1fag h LYS 210 Cb 0.49 -0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 30.87 1fag h LYS 210 CO 0.02 0.71 0.38 0.28 -1.08 0.00 0.00 179.45 179.76 1fag h VAL 211 N 1.06 1.09 -0.18 0.50 2.07 -1.25 0.14 116.25 119.67 1fag h VAL 211 Ca 0.28 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1fag h VAL 211 Cb -0.08 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1fag h VAL 211 CO -0.06 0.14 0.08 0.24 0.02 0.00 0.00 177.57 177.99 1fag h MET 212 N 0.75 0.16 -0.54 1.57 2.86 -0.99 -2.20 114.93 116.55 1fag h MET 212 Ca 0.24 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 1fag h MET 212 Cb 0.00 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 1fag h MET 212 CO -0.09 0.11 0.21 -0.91 1.06 0.00 0.00 176.91 177.29 1fag h ASN 213 N 0.17 0.71 -0.55 1.22 2.35 -0.82 -1.81 115.58 116.86 1fag h ASN 213 Ca 0.07 -0.09 0.06 0.00 -0.55 0.00 0.00 56.30 55.79 1fag h ASN 213 Cb 0.03 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.16 1fag h ASN 213 CO -0.06 0.64 0.26 0.44 -1.65 0.00 0.00 177.43 177.07 1fag h ASP 214 N 0.77 0.36 -0.49 5.81 3.32 -0.22 -0.30 116.42 125.67 1fag h ASP 214 Ca 0.19 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1fag h ASP 214 Cb 0.16 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1fag h ASP 214 CO -0.02 0.24 0.27 0.25 -1.72 0.00 0.00 179.24 178.26 1fag h LEU 215 N 0.50 0.62 -0.52 1.55 5.85 -0.76 -1.53 115.31 121.02 1fag h LEU 215 Ca 0.25 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.95 1fag h LEU 215 Cb 0.19 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 1fag h LEU 215 CO -0.19 0.53 0.19 0.58 -0.34 0.00 0.00 178.44 179.21 1fag h VAL 216 N 0.65 0.82 -0.90 1.05 2.07 -0.77 0.50 116.25 119.67 1fag h VAL 216 Ca 0.17 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1fag h VAL 216 Cb 0.06 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 1fag h VAL 216 CO -0.03 0.07 0.59 0.44 0.02 0.00 0.00 177.57 178.66 1fag h ASP 217 N 0.37 0.96 -0.33 0.57 3.32 -0.47 -0.13 116.42 120.71 1fag h ASP 217 Ca 0.25 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.15 1fag h ASP 217 Cb 0.27 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1fag h ASP 217 CO -0.25 0.66 -0.30 0.11 -1.72 0.00 0.00 179.24 177.73 1fag h LYS 218 N 1.11 0.85 -0.06 3.56 1.79 -0.12 -0.86 116.57 122.85 1fag h LYS 218 Ca 0.36 -0.39 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1fag h LYS 218 Cb 0.04 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1fag h LYS 218 CO -0.11 1.03 0.02 0.82 -1.08 0.00 0.00 179.45 180.13 1fag h ILE 219 N 0.72 1.15 0.24 1.86 2.04 -0.09 -0.32 117.51 123.11 1fag h ILE 219 Ca 0.08 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1fag h ILE 219 Cb 0.86 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1fag h ILE 219 CO 0.08 0.13 -0.12 0.40 0.00 0.00 0.00 178.15 178.64 1fag h ILE 220 N -0.08 0.80 -0.85 -0.67 2.04 -1.01 -1.37 117.51 116.36 1fag h ILE 220 Ca 0.02 -0.26 0.11 0.00 1.00 0.00 0.00 64.86 65.72 1fag h ILE 220 Cb 0.19 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 1fag h ILE 220 CO -0.00 0.06 0.49 0.00 0.00 0.00 0.00 178.15 178.70 1fag h ALA 221 N 0.26 1.24 -0.80 1.87 0.00 -1.15 -0.06 119.26 120.62 1fag h ALA 221 Ca -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1fag h ALA 221 Cb 0.35 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1fag h ALA 221 CO 0.06 0.09 0.43 0.22 0.00 0.00 0.00 179.25 180.04 1fag h ASP 222 N 0.80 1.02 -0.01 0.00 3.58 -0.89 -2.77 116.42 118.14 1fag h ASP 222 Ca 0.42 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.76 1fag h ASP 222 Cb 0.42 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.21 1fag h ASP 222 CO -0.27 0.84 0.01 -0.09 -2.88 0.00 0.00 179.24 176.84 1fag h ARG 223 N 1.12 0.02 -0.61 0.28 9.65 0.11 -3.10 114.38 121.84 1fag h ARG 223 Ca 0.28 -0.00 0.12 0.00 -1.10 0.00 0.00 59.98 59.28 1fag h ARG 223 Cb 0.06 -0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 28.51 1fag h ARG 223 CO -0.04 0.10 -0.21 0.87 2.80 0.00 0.00 179.97 183.49 1fag h LYS 224 N -0.07 -0.05 -3.28 0.20 1.79 -1.09 -3.08 116.57 110.99 1fag h LYS 224 Ca 0.00 0.00 -0.79 0.00 -2.18 0.00 0.00 60.65 57.69 1fag h LYS 224 Cb 0.09 0.01 -0.23 0.00 -1.58 0.00 0.00 32.23 30.52 1fag h LYS 224 CO -0.00 -0.03 1.19 0.00 -1.08 0.00 0.00 179.45 179.52 1fag n ALA 225 N -3.09 5.07 -3.20 3.86 0.00 -1.06 -4.97 120.51 117.12 1fag n ALA 225 Ca 0.07 -4.60 -0.10 0.00 0.00 0.00 0.00 53.44 48.81 1fag n ALA 225 Cb 0.34 -2.61 -0.04 0.00 0.00 0.00 0.00 19.45 17.14 1fag n ALA 225 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1fag s SER 226 N -0.36 -0.24 -0.74 0.00 1.04 -1.17 -4.93 113.70 107.32 1fag s SER 226 Ca 0.34 -0.48 -0.22 0.00 0.48 0.00 0.00 55.95 56.08 1fag s SER 226 Cb 0.04 0.55 0.08 0.00 0.10 0.00 0.00 66.02 66.79 1fag s SER 226 CO 0.05 -1.00 1.05 -0.83 0.98 0.00 0.00 173.24 173.49 1fag s GLY 227 N -2.87 1.41 0.00 7.32 0.00 -1.26 -4.98 107.32 106.94 1fag s GLY 227 Ca 0.09 -1.98 0.00 0.00 0.00 0.00 0.00 44.72 42.83 1fag s GLY 227 CO -0.04 2.15 0.00 -1.84 0.00 0.00 0.00 173.10 173.37 1fag n GLU 228 N 7.75 2.54 -1.85 2.90 0.28 -1.26 -4.92 120.64 126.07 1fag n GLU 228 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 1fag n GLU 228 Cb 0.47 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.34 1fag n GLU 228 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1fag n GLN 229 N 0.00 0.00 -3.39 3.44 1.13 -1.26 -5.06 117.38 112.24 1fag n GLN 229 Ca 0.00 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.68 1fag n GLN 229 Cb 0.00 -2.18 -0.06 0.00 0.11 0.00 0.00 30.24 28.11 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 -2.78 6.82 -0.68 1.08 0.01 -1.26 -5.00 113.70 111.89 1fag s SER 230 Ca 0.00 0.98 0.02 0.00 1.31 0.00 0.00 55.95 58.26 1fag s SER 230 Cb 0.00 -2.29 0.37 0.00 0.21 0.00 0.00 66.02 64.32 1fag s SER 230 CO 0.00 0.21 1.51 -0.67 0.41 0.00 0.00 173.24 174.69 1fag n ASP 231 N 2.42 6.02 -2.82 2.44 2.03 -1.26 -4.70 116.55 120.69 1fag n ASP 231 Ca -0.11 -3.75 -0.06 0.00 0.52 0.00 0.00 54.79 51.38 1fag n ASP 231 Cb 0.52 -0.78 0.01 0.00 -0.72 0.00 0.00 41.12 40.15 1fag n ASP 231 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1fag n ASP 232 N -0.42 0.97 -0.25 1.67 5.68 -1.26 -4.97 116.55 117.97 1fag n ASP 232 Ca 0.44 -1.48 -0.01 0.00 -0.50 0.00 0.00 54.79 53.24 1fag n ASP 232 Cb 0.42 -0.07 0.10 0.00 -1.14 0.00 0.00 41.12 40.43 1fag n ASP 232 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1fag h LEU 233 N 0.00 0.66 0.25 -2.12 6.46 -1.77 -2.41 115.31 116.38 1fag h LEU 233 Ca -0.09 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1fag h LEU 233 Cb 0.35 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1fag h LEU 233 CO 0.13 0.43 -0.21 0.25 -0.62 0.00 0.00 178.44 178.42 1fag h LEU 234 N 0.79 -0.55 -1.91 2.25 5.85 -1.74 0.17 115.31 120.17 1fag h LEU 234 Ca 0.31 0.05 0.03 0.00 0.84 0.00 0.00 57.88 59.10 1fag h LEU 234 Cb 0.14 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1fag h LEU 234 CO -0.16 -0.32 0.12 0.71 -0.34 0.00 0.00 178.44 178.45 1fag h THR 235 N -0.48 0.98 -0.06 1.05 1.35 -1.80 -0.58 112.91 113.36 1fag h THR 235 Ca -0.01 -0.04 -0.18 0.00 -0.55 0.00 0.00 66.41 65.63 1fag h THR 235 Cb 0.43 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 1fag h THR 235 CO -0.02 0.02 -0.73 0.45 -0.25 0.00 0.00 175.52 174.99 1fag h HIS 236 N 0.11 0.43 -0.23 4.73 3.86 -0.71 0.10 115.15 123.44 1fag h HIS 236 Ca 0.07 -0.19 -0.12 0.00 -1.16 0.00 0.00 60.37 58.97 1fag h HIS 236 Cb 0.15 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 1fag h HIS 236 CO -0.00 0.94 -0.32 0.52 0.86 0.00 0.00 177.93 179.93 1fag h MET 237 N 0.21 0.62 0.00 2.45 2.07 0.51 -1.28 114.93 119.51 1fag h MET 237 Ca -0.03 -0.36 -0.10 0.00 -2.07 0.00 0.00 59.70 57.14 1fag h MET 237 Cb 1.30 0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 31.05 1fag h MET 237 CO 0.12 0.97 -0.50 -0.07 1.07 0.00 0.00 176.91 178.50 1fag h LEU 238 N 0.32 0.00 0.00 1.22 3.38 -1.12 -3.38 115.31 115.73 1fag h LEU 238 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1fag h LEU 238 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1fag h LEU 238 CO 0.07 0.50 -1.01 0.59 0.09 0.00 0.00 178.44 178.68 1fag n ASN 239 N -3.38 4.29 -4.74 -0.43 5.03 0.34 -4.93 115.26 111.44 1fag n ASN 239 Ca 0.01 -0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.05 1fag n ASN 239 Cb 0.65 0.16 0.01 0.00 -1.02 0.00 0.00 39.78 39.58 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 3.33 0.87 3.49 7.41 0.00 -0.49 -4.93 105.19 114.88 1fag n GLY 240 Ca -0.00 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.30 2.40 -0.24 1.61 1.02 -1.26 -4.21 119.74 116.77 1fag s LYS 241 Ca 0.60 -0.77 -0.29 0.00 0.02 0.00 0.00 55.97 55.53 1fag s LYS 241 Cb -0.48 -2.35 -0.02 0.00 -0.52 0.00 0.00 37.83 34.47 1fag s LYS 241 CO 0.59 0.60 1.47 0.34 -0.92 0.00 0.00 175.35 177.43 1fag s ASP 242 N -1.01 6.54 0.66 2.83 2.15 0.48 -4.76 116.67 123.57 1fag s ASP 242 Ca 0.13 1.49 0.39 0.00 0.43 0.00 0.00 52.55 54.99 1fag s ASP 242 Cb -0.11 -2.54 2.15 0.00 -0.30 0.00 0.00 42.92 42.12 1fag s ASP 242 CO 0.03 -1.14 2.23 1.55 -0.17 0.00 0.00 175.17 177.67 1fag h PRO 243 N 9.94 0.00 0.00 4.34 0.13 -1.93 1.24 132.00 145.73 1fag h PRO 243 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1fag h PRO 243 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1fag h PRO 243 CO 1.01 0.00 0.00 1.49 -0.23 0.00 0.00 178.00 180.27 1fag h GLU 244 N 0.00 0.00 0.00 0.86 4.81 -1.95 -3.35 114.58 114.94 1fag h GLU 244 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1fag h GLU 244 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1fag h GLU 244 CO -0.00 0.00 -0.14 0.25 -0.73 0.00 0.00 179.01 178.39 1fag n THR 245 N -2.93 0.00 -0.38 0.32 -2.24 -0.67 -5.01 114.28 103.37 1fag n THR 245 Ca 0.04 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1fag n THR 245 Cb 0.50 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 0.62 1.33 3.87 3.38 0.00 0.42 -4.98 105.19 109.83 1fag n GLY 246 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1fag n GLY 246 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fag s GLU 247 N -0.17 3.75 0.57 1.61 0.41 -1.24 -4.64 118.70 119.00 1fag s GLU 247 Ca 0.00 0.16 0.03 0.00 -0.41 0.00 0.00 54.97 54.74 1fag s GLU 247 Cb 0.00 -2.99 0.06 0.00 -1.78 0.00 0.00 34.13 29.42 1fag s GLU 247 CO 0.00 0.55 0.80 -1.25 -0.49 0.00 0.00 175.26 174.87 1fag s PRO 248 N -1.96 2.37 0.23 0.39 0.04 -1.26 -0.38 135.00 134.43 1fag s PRO 248 Ca 0.33 -1.00 -0.30 0.00 0.04 0.00 0.00 61.00 60.08 1fag s PRO 248 Cb -0.14 -2.51 -0.09 0.00 0.04 0.00 0.00 34.50 31.81 1fag s PRO 248 CO 0.18 -0.83 1.17 -0.51 0.04 0.00 0.00 177.00 177.06 1fag s LEU 249 N -4.78 4.48 0.66 -3.56 1.43 -1.26 -4.94 118.68 110.72 1fag s LEU 249 Ca 0.59 2.28 -0.12 0.00 -1.03 0.00 0.00 54.13 55.85 1fag s LEU 249 Cb -0.09 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 1fag s LEU 249 CO 0.39 -0.30 1.06 1.51 0.23 0.00 0.00 176.35 179.24 1fag s ASP 250 N -0.28 5.53 0.24 2.29 1.47 -1.26 -4.78 116.67 119.88 1fag s ASP 250 Ca 0.49 1.67 -0.05 0.00 1.18 0.00 0.00 52.55 55.84 1fag s ASP 250 Cb -0.33 -2.51 0.39 0.00 -0.34 0.00 0.00 42.92 40.14 1fag s ASP 250 CO 0.39 -1.34 1.76 0.44 0.68 0.00 0.00 175.17 177.10 1fag h ASP 251 N -0.37 0.41 -0.61 2.11 3.32 -1.98 0.14 116.42 119.44 1fag h ASP 251 Ca -0.45 0.08 0.06 0.00 0.02 0.00 0.00 57.03 56.75 1fag h ASP 251 Cb 1.21 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.72 1fag h ASP 251 CO 0.57 0.21 0.31 -0.08 -1.72 0.00 0.00 179.24 178.53 1fag h GLU 252 N 0.56 0.55 -0.02 3.56 4.81 -2.00 -0.74 114.58 121.30 1fag h GLU 252 Ca 0.38 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.34 1fag h GLU 252 Cb 0.48 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.74 1fag h GLU 252 CO -0.32 0.36 -0.95 -0.97 -0.73 0.00 0.00 179.01 176.41 1fag h ASN 253 N 0.57 0.68 -0.89 1.04 -0.73 -1.78 -2.68 115.58 111.79 1fag h ASN 253 Ca 0.28 -0.53 0.07 0.00 1.87 0.00 0.00 56.30 57.99 1fag h ASN 253 Cb 0.22 -0.21 -0.07 0.00 0.27 0.00 0.00 38.32 38.54 1fag h ASN 253 CO -0.21 1.33 0.55 0.40 -0.37 0.00 0.00 177.43 179.13 1fag h ILE 254 N 0.31 1.02 0.15 2.57 2.04 -0.16 0.23 117.51 123.67 1fag h ILE 254 Ca -0.09 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1fag h ILE 254 Cb 1.59 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1fag h ILE 254 CO 0.17 0.18 -0.12 -0.09 0.00 0.00 0.00 178.15 178.30 1fag h ARG 255 N 0.98 -0.27 -0.79 2.37 2.43 -1.05 -1.46 114.38 116.58 1fag h ARG 255 Ca 0.40 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.70 1fag h ARG 255 Cb 0.23 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 1fag h ARG 255 CO -0.19 -0.18 0.52 1.88 -1.51 0.00 0.00 179.97 180.49 1fag h TYR 256 N -0.28 0.70 -0.12 2.20 0.05 -0.86 0.37 116.97 119.04 1fag h TYR 256 Ca -0.01 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.67 1fag h TYR 256 Cb 0.25 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1fag h TYR 256 CO -0.10 0.31 -0.48 1.96 -1.05 0.00 0.00 178.16 178.79 1fag h GLN 257 N 0.64 0.31 0.50 4.88 1.08 0.24 -0.50 115.11 122.27 1fag h GLN 257 Ca 0.38 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 1fag h GLN 257 Cb 0.58 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1fag h GLN 257 CO -0.14 0.73 -0.24 0.82 -0.95 0.00 0.00 178.83 179.04 1fag h ILE 258 N 0.25 0.36 -0.42 2.54 2.04 0.05 0.47 117.51 122.80 1fag h ILE 258 Ca 0.01 -0.43 0.09 0.00 1.00 0.00 0.00 64.86 65.53 1fag h ILE 258 Cb 0.94 0.50 -0.09 0.00 -0.74 0.00 0.00 36.82 37.43 1fag h ILE 258 CO 0.08 0.05 -0.19 0.40 0.00 0.00 0.00 178.15 178.49 1fag h ILE 259 N -0.98 0.42 -0.22 -0.67 2.04 -1.38 0.64 117.51 117.35 1fag h ILE 259 Ca -0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1fag h ILE 259 Cb 0.61 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 1fag h ILE 259 CO 0.11 0.00 -0.12 0.74 0.00 0.00 0.00 178.15 178.88 1fag h THR 260 N -0.11 0.62 0.00 -0.27 2.02 -1.00 -0.68 112.91 113.50 1fag h THR 260 Ca 0.20 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.32 1fag h THR 260 Cb 0.42 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1fag h THR 260 CO -0.49 0.00 -0.32 -0.26 0.37 0.00 0.00 175.52 174.82 1fag h PHE 261 N -0.10 0.00 -0.07 3.16 -1.00 -0.09 0.65 116.94 119.49 1fag h PHE 261 Ca 0.12 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.88 1fag h PHE 261 Cb 0.29 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.85 1fag h PHE 261 CO -0.29 0.32 -0.06 -0.07 -1.61 0.00 0.00 178.31 176.60 1fag h LEU 262 N 0.00 0.17 0.13 1.54 3.38 -0.26 -0.01 115.31 120.27 1fag h LEU 262 Ca -0.00 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1fag h LEU 262 Cb 0.79 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1fag h LEU 262 CO 0.04 0.61 -0.06 0.40 0.09 0.00 0.00 178.44 179.52 1fag h ILE 263 N -0.27 0.00 -0.48 1.22 2.04 -1.01 -3.28 117.51 115.73 1fag h ILE 263 Ca 0.01 -0.21 0.14 0.00 1.00 0.00 0.00 64.86 65.80 1fag h ILE 263 Cb 0.56 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1fag h ILE 263 CO 0.02 0.00 0.35 0.00 0.00 0.00 0.00 178.15 178.52 1fag h ALA 264 N -1.71 2.44 -0.33 1.87 0.00 -1.02 -2.17 119.26 118.35 1fag h ALA 264 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1fag h ALA 264 Cb 0.14 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1fag h ALA 264 CO 0.03 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 179.09 1fag n GLY 265 N -1.63 1.06 0.61 0.00 0.00 -0.02 -4.51 105.19 100.71 1fag n GLY 265 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.46 -0.10 0.33 1.61 1.44 -0.85 -4.71 115.22 113.39 1fag n HIS 266 Ca 0.12 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.65 1fag n HIS 266 Cb 0.40 0.15 -0.09 0.00 0.12 0.00 0.00 29.99 30.58 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 -0.94 -0.71 -1.40 4.57 -1.69 -2.13 114.58 112.28 1fag h GLU 267 Ca 0.00 0.06 0.11 0.00 -1.18 0.00 0.00 59.36 58.35 1fag h GLU 267 Cb 0.00 0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 28.76 1fag h GLU 267 CO 0.00 -0.63 0.47 1.79 -1.18 0.00 0.00 179.01 179.46 1fag h THR 268 N -0.98 0.90 -0.01 0.32 1.35 -1.82 -1.72 112.91 110.97 1fag h THR 268 Ca -0.07 -0.19 -0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1fag h THR 268 Cb 0.82 0.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1fag h THR 268 CO 0.02 0.10 -0.01 0.74 -0.25 0.00 0.00 175.52 176.12 1fag h THR 269 N 0.55 1.43 -0.80 6.82 2.02 -1.84 -1.62 112.91 119.48 1fag h THR 269 Ca 0.33 -1.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 1fag h THR 269 Cb 0.55 2.29 -0.04 0.00 -1.74 0.00 0.00 68.15 69.21 1fag h THR 269 CO -0.11 0.34 0.48 0.77 0.37 0.00 0.00 175.52 177.37 1fag h SER 270 N -0.52 0.95 -0.76 4.18 4.64 -1.16 0.65 113.55 121.53 1fag h SER 270 Ca 0.00 -0.05 0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1fag h SER 270 Cb 0.56 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 1fag h SER 270 CO 0.00 0.73 0.50 1.23 -0.87 0.00 0.00 176.83 178.42 1fag h GLY 271 N 1.12 1.08 0.96 -0.77 0.00 -1.29 0.36 103.07 104.52 1fag h GLY 271 Ca 0.29 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1fag h GLY 271 CO -0.05 0.37 0.11 -2.00 0.00 0.00 0.00 176.54 174.97 1fag h LEU 272 N 1.01 0.24 -0.99 3.11 5.85 -0.14 -1.27 115.31 123.11 1fag h LEU 272 Ca 0.29 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 1fag h LEU 272 Cb -0.08 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1fag h LEU 272 CO -0.08 0.24 0.20 -0.07 -0.34 0.00 0.00 178.44 178.39 1fag h LEU 273 N 0.22 0.86 -0.09 2.25 3.38 -0.31 -0.34 115.31 121.28 1fag h LEU 273 Ca 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1fag h LEU 273 Cb 0.05 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1fag h LEU 273 CO -0.01 0.81 0.02 0.28 0.09 0.00 0.00 178.44 179.63 1fag h SER 274 N 0.90 0.14 -0.39 -0.43 0.02 -0.67 -1.38 113.55 111.73 1fag h SER 274 Ca 0.20 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1fag h SER 274 Cb 0.25 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1fag h SER 274 CO -0.01 0.33 0.21 -0.26 -1.14 0.00 0.00 176.83 175.96 1fag h PHE 275 N -0.07 0.54 0.04 3.45 0.04 -1.00 0.45 116.94 120.39 1fag h PHE 275 Ca 0.03 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.81 1fag h PHE 275 Cb 0.25 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.18 1fag h PHE 275 CO 0.01 0.42 -0.28 0.00 -0.60 0.00 0.00 178.31 177.86 1fag h ALA 276 N 1.07 -0.41 -0.90 2.45 0.00 -0.98 -0.40 119.26 120.09 1fag h ALA 276 Ca 0.14 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1fag h ALA 276 Cb 0.06 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1fag h ALA 276 CO -0.02 -0.79 0.59 1.25 0.00 0.00 0.00 179.25 180.27 1fag h LEU 277 N -0.44 0.97 0.33 0.00 5.85 -1.00 0.01 115.31 121.03 1fag h LEU 277 Ca 0.05 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1fag h LEU 277 Cb 0.51 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1fag h LEU 277 CO -0.22 0.67 -0.35 0.22 -0.34 0.00 0.00 178.44 178.42 1fag h TYR 278 N 1.13 -0.94 -0.96 1.25 3.20 -0.05 -1.02 116.97 119.58 1fag h TYR 278 Ca 0.36 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.25 1fag h TYR 278 Cb 0.01 0.37 -0.05 0.00 1.54 0.00 0.00 36.73 38.60 1fag h TYR 278 CO -0.00 -0.49 0.63 0.74 -1.64 0.00 0.00 178.16 177.40 1fag h PHE 279 N -0.71 1.19 -0.10 -3.82 0.04 -0.39 -0.42 116.94 112.73 1fag h PHE 279 Ca -0.02 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.79 1fag h PHE 279 Cb 0.65 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1fag h PHE 279 CO -0.21 0.73 0.04 -0.07 -0.60 0.00 0.00 178.31 178.20 1fag h LEU 280 N 1.27 0.05 -0.78 1.54 3.38 -0.73 0.25 115.31 120.29 1fag h LEU 280 Ca 0.36 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 1fag h LEU 280 Cb -0.09 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1fag h LEU 280 CO -0.09 0.05 0.40 0.58 0.09 0.00 0.00 178.44 179.46 1fag h VAL 281 N 0.09 1.24 0.00 1.22 2.07 -0.81 -2.15 116.25 117.92 1fag h VAL 281 Ca 0.04 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1fag h VAL 281 Cb 0.01 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1fag h VAL 281 CO -0.04 0.28 0.00 0.11 0.02 0.00 0.00 177.57 177.95 1fag h LYS 282 N 1.10 0.00 -2.48 1.57 1.79 -0.72 -3.35 116.57 114.48 1fag h LYS 282 Ca 0.27 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 58.14 1fag h LYS 282 Cb 0.09 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.33 1fag h LYS 282 CO -0.04 0.00 -0.74 0.09 -1.08 0.00 0.00 179.45 177.68 1fag n ASN 283 N -2.55 2.14 -0.31 0.86 3.02 0.85 -5.01 115.26 114.27 1fag n ASN 283 Ca 0.03 -3.05 0.13 0.00 -0.03 0.00 0.00 54.58 51.67 1fag n ASN 283 Cb 0.37 -0.67 0.28 0.00 -0.61 0.00 0.00 39.78 39.15 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 4.80 0.11 -0.11 3.52 0.13 -1.68 -1.07 132.00 137.70 1fag h PRO 284 Ca 0.17 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 65.14 1fag h PRO 284 Cb 0.77 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1fag h PRO 284 CO 0.65 0.07 -0.60 0.45 -0.23 0.00 0.00 178.00 178.35 1fag h HIS 285 N 0.12 0.48 -0.46 1.56 3.86 -1.95 0.26 115.15 119.01 1fag h HIS 285 Ca 0.56 -0.18 -0.13 0.00 -1.16 0.00 0.00 60.37 59.46 1fag h HIS 285 Cb 1.15 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.52 1fag h HIS 285 CO -0.35 0.88 -0.23 0.28 0.86 0.00 0.00 177.93 179.37 1fag h VAL 286 N 0.28 1.27 -0.15 2.45 2.07 -1.57 -0.10 116.25 120.50 1fag h VAL 286 Ca -0.00 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1fag h VAL 286 Cb 1.12 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1fag h VAL 286 CO 0.10 0.48 0.10 0.25 0.02 0.00 0.00 177.57 178.52 1fag h LEU 287 N 0.82 0.18 -0.73 2.57 6.46 -1.00 -0.51 115.31 123.10 1fag h LEU 287 Ca 0.10 -0.02 0.09 0.00 -0.12 0.00 0.00 57.88 57.93 1fag h LEU 287 Cb 0.80 -0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 40.62 1fag h LEU 287 CO 0.07 0.14 0.39 -0.61 -0.62 0.00 0.00 178.44 177.80 1fag h GLN 288 N 0.20 0.65 0.79 1.25 4.15 -0.14 0.40 115.11 122.40 1fag h GLN 288 Ca 0.06 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 1fag h GLN 288 Cb -0.01 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.54 1fag h GLN 288 CO -0.01 0.43 -0.43 -0.22 -1.93 0.00 0.00 178.83 176.67 1fag h LYS 289 N 0.67 -1.09 -0.11 1.69 1.63 -0.36 -1.61 116.57 117.39 1fag h LYS 289 Ca 0.35 0.07 0.03 0.00 -0.85 0.00 0.00 60.65 60.25 1fag h LYS 289 Cb 0.32 0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1fag h LYS 289 CO -0.24 -0.72 0.08 0.00 -3.45 0.00 0.00 179.45 175.11 1fag h ALA 290 N -0.97 2.07 -0.14 5.00 0.00 -0.57 -1.82 119.26 122.83 1fag h ALA 290 Ca -0.11 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1fag h ALA 290 Cb 0.89 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1fag h ALA 290 CO 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 179.25 179.27 1fag h ALA 291 N 1.94 0.19 0.04 0.00 0.00 0.19 -2.32 119.26 119.31 1fag h ALA 291 Ca 0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1fag h ALA 291 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1fag h ALA 291 CO -0.00 -0.07 -0.02 0.93 0.00 0.00 0.00 179.25 180.09 1fag h GLU 292 N -0.03 -0.06 -0.73 0.00 5.08 -0.75 -0.06 114.58 118.04 1fag h GLU 292 Ca 0.04 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.55 1fag h GLU 292 Cb 0.44 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.60 1fag h GLU 292 CO 0.01 0.13 0.20 1.49 -1.00 0.00 0.00 179.01 179.84 1fag h GLU 293 N -0.23 0.29 0.41 2.33 4.22 -1.40 -0.75 114.58 119.45 1fag h GLU 293 Ca -0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.40 1fag h GLU 293 Cb 0.21 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1fag h GLU 293 CO 0.01 0.19 -0.20 0.00 -2.18 0.00 0.00 179.01 176.83 1fag h ALA 294 N 1.59 -0.55 -1.14 2.92 0.00 -1.20 -2.22 119.26 118.66 1fag h ALA 294 Ca 0.41 -0.17 0.32 0.00 0.00 0.00 0.00 54.91 55.47 1fag h ALA 294 Cb 0.68 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1fag h ALA 294 CO -0.48 -0.72 0.78 0.00 0.00 0.00 0.00 179.25 178.83 1fag h ALA 295 N -0.23 2.77 0.01 0.00 0.00 0.20 -0.41 119.26 121.60 1fag h ALA 295 Ca -0.06 0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 1fag h ALA 295 Cb 0.52 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1fag h ALA 295 CO 0.09 -1.15 -1.79 2.89 0.00 0.00 0.00 179.25 179.30 1fag n ARG 296 N -4.38 0.65 0.08 0.00 1.85 -0.41 -4.40 116.66 110.05 1fag n ARG 296 Ca 0.26 0.27 -0.21 0.00 -1.00 0.00 0.00 57.85 57.17 1fag n ARG 296 Cb 1.12 -1.77 -0.14 0.00 -1.05 0.00 0.00 32.46 30.62 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 0.01 1.39 -0.66 8.89 2.07 -0.66 -3.37 116.25 123.92 1fag h VAL 297 Ca -0.32 -2.50 -0.72 0.00 0.82 0.00 0.00 66.70 63.98 1fag h VAL 297 Cb 2.03 2.98 -0.07 0.00 -1.52 0.00 0.00 31.29 34.71 1fag h VAL 297 CO 0.08 0.73 2.90 0.18 0.02 0.00 0.00 177.57 181.48 1fag n LEU 298 N -3.96 7.82 0.18 2.57 4.77 -0.26 -4.66 117.00 123.45 1fag n LEU 298 Ca -0.14 -4.56 0.02 0.00 -0.03 0.00 0.00 56.01 51.29 1fag n LEU 298 Cb 0.91 -1.49 0.33 0.00 -2.33 0.00 0.00 43.42 40.84 1fag n LEU 298 CO 0.54 1.78 0.69 -0.37 -1.33 0.00 0.00 177.39 178.70 1fag h VAL 299 N 3.17 1.29 -3.81 4.08 -1.51 -1.82 -3.43 116.25 114.23 1fag h VAL 299 Ca 0.68 -1.39 -0.48 0.00 -1.23 0.00 0.00 66.70 64.28 1fag h VAL 299 Cb 0.41 1.75 -0.02 0.00 -2.13 0.00 0.00 31.29 31.30 1fag h VAL 299 CO 1.67 0.40 0.19 -1.81 -1.23 0.00 0.00 177.57 176.79 1fag s ASP 300 N -6.92 6.92 0.35 4.19 1.01 -1.26 -4.95 116.67 116.00 1fag s ASP 300 Ca -0.03 1.47 0.07 0.00 0.71 0.00 0.00 52.55 54.77 1fag s ASP 300 Cb 0.14 -2.45 0.76 0.00 1.01 0.00 0.00 42.92 42.39 1fag s ASP 300 CO 0.73 -0.19 1.88 -0.65 0.21 0.00 0.00 175.17 177.15 1fag h PRO 301 N 2.44 0.73 -4.70 8.23 0.11 -1.88 -3.35 132.00 133.58 1fag h PRO 301 Ca -0.48 -0.04 -0.63 0.00 0.11 0.00 0.00 66.00 64.95 1fag h PRO 301 Cb 1.18 -0.16 -0.37 0.00 0.11 0.00 0.00 31.00 31.76 1fag h PRO 301 CO 0.64 0.48 -0.82 0.08 -0.21 0.00 0.00 178.00 178.17 1fag s VAL 302 N -5.72 1.78 0.55 3.15 1.01 -1.26 -4.63 120.40 115.28 1fag s VAL 302 Ca -0.10 -1.07 -0.20 0.00 0.00 0.00 0.00 61.98 60.62 1fag s VAL 302 Cb 0.21 -1.81 -0.07 0.00 0.00 0.00 0.00 36.38 34.71 1fag s VAL 302 CO 0.79 0.22 0.84 -2.65 0.00 0.00 0.00 175.10 174.30 1fag n PRO 303 N 4.64 0.89 -3.93 2.72 -0.02 -1.26 -5.05 135.00 132.99 1fag n PRO 303 Ca -0.16 0.34 -0.21 0.00 -2.02 0.00 0.00 63.50 61.44 1fag n PRO 303 Cb 0.47 -1.99 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 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 -1.10 5.40 0.34 2.55 1.04 -1.26 -4.98 113.70 115.69 1fag s SER 304 Ca 0.71 -0.39 0.06 0.00 0.48 0.00 0.00 55.95 56.80 1fag s SER 304 Cb -0.46 -1.16 0.71 0.00 0.10 0.00 0.00 66.02 65.21 1fag s SER 304 CO 0.52 -0.22 1.90 0.22 0.98 0.00 0.00 173.24 176.63 1fag h TYR 305 N 1.34 0.88 -0.03 5.02 5.03 -1.96 -0.88 116.97 126.37 1fag h TYR 305 Ca -0.46 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 60.81 1fag h TYR 305 Cb 1.25 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 39.25 1fag h TYR 305 CO 0.54 0.40 -0.20 0.87 -1.32 0.00 0.00 178.16 178.44 1fag h LYS 306 N 0.81 0.19 -0.96 1.82 6.56 -1.99 -2.59 116.57 120.41 1fag h LYS 306 Ca 0.40 -0.16 0.15 0.00 -1.06 0.00 0.00 60.65 59.98 1fag h LYS 306 Cb 0.46 0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 32.08 1fag h LYS 306 CO -0.17 0.84 0.61 1.96 -2.06 0.00 0.00 179.45 180.63 1fag h GLN 307 N -0.41 0.77 -0.79 3.15 4.20 -1.76 0.19 115.11 120.45 1fag h GLN 307 Ca -0.02 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1fag h GLN 307 Cb 0.89 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.46 1fag h GLN 307 CO 0.04 0.51 0.32 0.28 -0.67 0.00 0.00 178.83 179.31 1fag h VAL 308 N 0.79 1.26 0.00 -0.54 2.07 -1.12 -0.60 116.25 118.11 1fag h VAL 308 Ca 0.50 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1fag h VAL 308 Cb 0.72 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1fag h VAL 308 CO -0.27 0.33 0.00 0.11 0.02 0.00 0.00 177.57 177.77 1fag h LYS 309 N 1.14 0.00 -0.00 1.57 1.79 -0.28 -2.11 116.57 118.69 1fag h LYS 309 Ca 0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1fag h LYS 309 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1fag h LYS 309 CO -0.02 0.00 -0.35 1.04 -1.08 0.00 0.00 179.45 179.04 1fag n GLN 310 N -2.58 0.25 -1.46 3.15 6.02 -0.26 -4.49 117.38 118.02 1fag n GLN 310 Ca 0.01 -0.13 -0.40 0.00 -0.01 0.00 0.00 57.00 56.47 1fag n GLN 310 Cb 0.24 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 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 -1.26 8.18 -0.01 1.08 4.77 -0.79 -4.75 117.00 124.21 1fag n LEU 311 Ca 0.08 -4.31 -0.12 0.00 -0.03 0.00 0.00 56.01 51.62 1fag n LEU 311 Cb 0.33 -1.59 -0.08 0.00 -2.33 0.00 0.00 43.42 39.76 1fag n LEU 311 CO 0.31 1.78 0.50 0.11 -1.33 0.00 0.00 177.39 178.77 1fag h LYS 312 N 5.30 -0.45 -0.09 3.23 1.57 -1.85 -2.37 116.57 121.90 1fag h LYS 312 Ca 0.78 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.61 1fag h LYS 312 Cb 0.39 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1fag h LYS 312 CO 1.81 -0.30 -0.00 -0.92 -0.57 0.00 0.00 179.45 179.47 1fag h TYR 313 N -0.47 -0.01 -0.24 -1.35 3.20 -1.98 -2.20 116.97 113.92 1fag h TYR 313 Ca 0.03 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.96 1fag h TYR 313 Cb 0.55 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1fag h TYR 313 CO -0.57 -0.02 0.17 -0.39 -1.64 0.00 0.00 178.16 175.71 1fag h VAL 314 N 0.03 0.91 -0.30 1.81 -1.51 -1.87 0.41 116.25 115.72 1fag h VAL 314 Ca 0.04 -0.02 -0.11 0.00 -1.23 0.00 0.00 66.70 65.38 1fag h VAL 314 Cb 0.05 0.85 -0.01 0.00 -2.13 0.00 0.00 31.29 30.05 1fag h VAL 314 CO -0.08 0.01 -0.28 1.23 -1.23 0.00 0.00 177.57 177.22 1fag h GLY 315 N 0.06 0.67 1.00 5.19 0.00 -0.87 -1.41 103.07 107.70 1fag h GLY 315 Ca 0.11 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1fag h GLY 315 CO -0.01 0.53 0.04 -0.33 0.00 0.00 0.00 176.54 176.77 1fag h MET 316 N 0.53 0.86 -0.31 4.80 2.07 0.26 -1.64 114.93 121.50 1fag h MET 316 Ca 0.07 -0.25 0.06 0.00 -2.07 0.00 0.00 59.70 57.51 1fag h MET 316 Cb 0.76 -0.09 -0.06 0.00 -1.87 0.00 0.00 31.60 30.34 1fag h MET 316 CO 0.06 0.87 -0.10 0.28 1.07 0.00 0.00 176.91 179.09 1fag h VAL 317 N 0.73 0.63 -0.38 -2.22 2.07 -0.53 0.76 116.25 117.31 1fag h VAL 317 Ca 0.15 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.74 1fag h VAL 317 Cb 0.46 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1fag h VAL 317 CO 0.02 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.54 1fag h LEU 318 N -0.04 -0.15 -1.12 2.57 4.07 -0.87 -0.10 115.31 119.68 1fag h LEU 318 Ca 0.15 0.09 -0.08 0.00 0.08 0.00 0.00 57.88 58.12 1fag h LEU 318 Cb 0.27 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1fag h LEU 318 CO -0.34 -0.04 -0.40 0.78 -1.08 0.00 0.00 178.44 177.36 1fag h ASN 319 N 0.11 0.00 0.07 -0.43 2.35 -0.35 0.11 115.58 117.43 1fag h ASN 319 Ca 0.19 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1fag h ASN 319 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1fag h ASN 319 CO -0.31 0.40 -0.03 -0.33 -1.65 0.00 0.00 177.43 175.51 1fag h GLU 320 N 0.00 -0.09 -0.67 0.81 4.39 0.08 -0.10 114.58 119.00 1fag h GLU 320 Ca -0.00 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1fag h GLU 320 Cb 0.79 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.41 1fag h GLU 320 CO 0.05 0.42 0.37 0.00 -1.16 0.00 0.00 179.01 178.70 1fag h ALA 321 N 0.19 0.89 0.00 3.43 0.00 -0.97 0.30 119.26 123.10 1fag h ALA 321 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1fag h ALA 321 Cb 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1fag h ALA 321 CO 0.02 0.05 0.00 1.25 0.00 0.00 0.00 179.25 180.56 1fag h LEU 322 N 0.69 0.00 0.01 0.00 5.85 -0.91 0.63 115.31 121.56 1fag h LEU 322 Ca 0.30 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 1fag h LEU 322 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1fag h LEU 322 CO -0.18 0.00 -0.00 -0.09 -0.34 0.00 0.00 178.44 177.83 1fag h ARG 323 N 0.00 -0.01 -0.19 1.25 2.43 0.15 -3.19 114.38 114.83 1fag h ARG 323 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1fag h ARG 323 Cb 0.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1fag h ARG 323 CO 0.00 0.59 0.05 -0.07 -1.51 0.00 0.00 179.97 179.03 1fag h LEU 324 N -0.99 0.28 -6.96 3.80 -0.00 -1.06 -3.39 115.31 106.99 1fag h LEU 324 Ca -0.00 -0.23 -0.61 0.00 -0.00 0.00 0.00 57.88 57.04 1fag h LEU 324 Cb 0.60 -0.07 -0.41 0.00 -0.00 0.00 0.00 40.66 40.79 1fag h LEU 324 CO 0.00 0.43 -0.71 0.26 -0.00 0.00 0.00 178.44 178.43 1fag s TRP 325 N -5.31 2.56 -0.24 1.13 0.52 0.19 -4.84 118.94 112.95 1fag s TRP 325 Ca -0.14 -2.85 -0.29 0.00 0.02 0.00 0.00 56.10 52.85 1fag s TRP 325 Cb 0.07 -2.13 -0.03 0.00 -1.15 0.00 0.00 33.47 30.23 1fag s TRP 325 CO 0.71 -0.70 1.67 -1.25 0.02 0.00 0.00 176.95 177.41 1fag s PRO 326 N -0.46 3.68 0.48 4.98 0.04 -1.20 -4.51 135.00 138.00 1fag s PRO 326 Ca 0.23 1.62 0.23 0.00 0.04 0.00 0.00 61.00 63.13 1fag s PRO 326 Cb -0.12 -4.08 1.27 0.00 0.04 0.00 0.00 34.50 31.61 1fag s PRO 326 CO -0.10 -1.44 1.89 1.79 0.04 0.00 0.00 177.00 179.18 1fag h THR 327 N 6.32 0.64 -3.56 1.26 1.35 -1.86 -2.66 112.91 114.40 1fag h THR 327 Ca -0.34 -0.07 -0.71 0.00 -0.55 0.00 0.00 66.41 64.74 1fag h THR 327 Cb 1.16 0.42 -0.34 0.00 -1.73 0.00 0.00 68.15 67.65 1fag h THR 327 CO 1.01 0.04 -0.27 0.00 -0.25 0.00 0.00 175.52 176.04 1fag s ALA 328 N -5.21 3.73 -0.16 6.62 0.00 -1.26 -2.09 121.76 123.39 1fag s ALA 328 Ca -0.07 -3.36 0.14 0.00 0.00 0.00 0.00 51.96 48.67 1fag s ALA 328 Cb 0.22 -2.79 0.75 0.00 0.00 0.00 0.00 23.12 21.30 1fag s ALA 328 CO 0.77 -2.14 1.35 -0.35 0.00 0.00 0.00 175.76 175.39 1fag n PRO 329 N 3.36 0.09 -3.53 0.00 -0.04 -1.01 -4.85 135.00 129.04 1fag n PRO 329 Ca 0.11 0.56 -0.08 0.00 -0.04 0.00 0.00 63.50 64.05 1fag n PRO 329 Cb 0.39 -1.98 -0.02 0.00 -0.04 0.00 0.00 33.50 31.84 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 -3.31 -1.89 0.04 0.55 0.00 -1.26 -1.81 121.76 114.09 1fag s ALA 330 Ca -0.02 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1fag s ALA 330 Cb 0.04 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1fag s ALA 330 CO 0.13 -0.64 -0.04 -0.59 0.00 0.00 0.00 175.76 174.62 1fag s PHE 331 N -2.81 0.49 0.13 0.00 -0.12 -1.22 -4.99 117.98 109.45 1fag s PHE 331 Ca 0.05 -0.76 0.10 0.00 -0.05 0.00 0.00 56.93 56.28 1fag s PHE 331 Cb -0.01 -0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.01 1fag s PHE 331 CO -0.07 -0.23 -0.22 0.45 -0.05 0.00 0.00 175.22 175.09 1fag s SER 332 N -2.17 3.61 0.37 1.98 0.15 -1.26 -1.46 113.70 114.92 1fag s SER 332 Ca -0.04 -0.66 0.03 0.00 0.70 0.00 0.00 55.95 55.99 1fag s SER 332 Cb -0.02 -0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 63.86 1fag s SER 332 CO -0.04 0.18 0.09 -0.76 1.20 0.00 0.00 173.24 173.91 1fag s LEU 333 N -2.12 2.06 -0.05 3.45 2.01 -0.63 -0.46 118.68 122.94 1fag s LEU 333 Ca 0.16 -1.53 -0.10 0.00 0.01 0.00 0.00 54.13 52.68 1fag s LEU 333 Cb -0.10 -0.24 0.02 0.00 0.01 0.00 0.00 46.19 45.88 1fag s LEU 333 CO 0.08 -0.78 0.24 -0.72 1.01 0.00 0.00 176.35 176.18 1fag s TYR 334 N -3.27 -0.18 -0.34 0.29 1.13 -0.76 -1.17 117.35 113.05 1fag s TYR 334 Ca 0.29 0.40 -0.28 0.00 -1.41 0.00 0.00 57.07 56.07 1fag s TYR 334 Cb 0.06 0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.94 1fag s TYR 334 CO 0.14 -0.22 2.09 0.00 -2.51 0.00 0.00 175.55 175.05 1fag s ALA 335 N -0.53 2.52 0.49 9.51 0.00 0.41 -3.12 121.76 131.03 1fag s ALA 335 Ca -0.06 0.34 0.15 0.00 0.00 0.00 0.00 51.96 52.39 1fag s ALA 335 Cb -0.04 -4.13 1.18 0.00 0.00 0.00 0.00 23.12 20.14 1fag s ALA 335 CO 0.01 -3.15 2.10 -0.22 0.00 0.00 0.00 175.76 174.51 1fag h LYS 336 N 15.19 0.14 -3.52 0.00 1.63 -0.79 0.86 116.57 130.08 1fag h LYS 336 Ca -0.34 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.39 1fag h LYS 336 Cb 1.21 -0.03 -0.13 0.00 -0.60 0.00 0.00 32.23 32.68 1fag h LYS 336 CO 1.04 0.09 -0.16 -1.21 -3.45 0.00 0.00 179.45 175.77 1fag s GLU 337 N -5.18 1.03 0.28 1.90 0.41 -1.26 -4.68 118.70 111.20 1fag s GLU 337 Ca -0.06 -0.80 -0.29 0.00 -0.41 0.00 0.00 54.97 53.41 1fag s GLU 337 Cb 0.18 0.43 -0.13 0.00 -1.78 0.00 0.00 34.13 32.83 1fag s GLU 337 CO 0.70 -0.39 1.24 -0.25 -0.49 0.00 0.00 175.26 176.07 1fag n ASP 338 N -0.19 2.27 -0.79 -0.19 9.92 -1.26 -4.40 116.55 121.92 1fag n ASP 338 Ca -0.15 1.18 0.00 0.00 -0.53 0.00 0.00 54.79 55.28 1fag n ASP 338 Cb 0.63 -1.40 0.00 0.00 -0.64 0.00 0.00 41.12 39.72 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 0.89 0.00 -3.57 -3.53 5.66 0.50 -4.92 114.28 109.32 1fag n THR 339 Ca 0.09 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.89 1fag n THR 339 Cb 0.33 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.96 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 -0.26 0.10 1.08 1.01 -1.26 -0.16 120.40 118.09 1fag s VAL 340 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 1fag s VAL 340 Cb 0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 36.38 35.75 1fag s VAL 340 CO 0.00 -0.13 1.32 -0.22 0.00 0.00 0.00 175.10 176.07 1fag s LEU 341 N 2.28 4.37 -0.60 3.92 2.96 0.69 -3.34 118.68 128.97 1fag s LEU 341 Ca 0.05 2.23 0.00 0.00 -0.22 0.00 0.00 54.13 56.18 1fag s LEU 341 Cb -0.15 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1fag s LEU 341 CO -0.10 -0.58 0.00 0.61 -1.32 0.00 0.00 176.35 174.96 1fag n GLY 342 N 3.32 0.53 2.48 7.98 0.00 -1.26 -0.38 105.19 117.86 1fag n GLY 342 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 0.47 0.62 0.00 -0.02 0.00 -1.21 -4.72 105.19 100.33 1fag n GLY 343 Ca -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.48 0.63 -3.65 1.61 1.02 -0.63 -4.85 120.64 113.29 1fag n GLU 344 Ca -0.04 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.70 1fag n GLU 344 Cb 0.32 -0.70 -0.12 0.00 -0.02 0.00 0.00 31.44 30.92 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 -1.41 3.24 -0.12 -0.32 2.02 0.49 -2.73 117.35 118.53 1fag s TYR 345 Ca 0.00 -1.04 -0.30 0.00 -0.37 0.00 0.00 57.07 55.36 1fag s TYR 345 Cb 0.00 -2.38 -0.02 0.00 -0.40 0.00 0.00 41.96 39.16 1fag s TYR 345 CO 0.00 -0.65 1.13 -2.14 -1.57 0.00 0.00 175.55 172.32 1fag s PRO 346 N 1.52 4.34 -0.05 -1.71 0.02 -1.26 0.25 135.00 138.10 1fag s PRO 346 Ca 0.01 1.54 0.06 0.00 0.02 0.00 0.00 61.00 62.63 1fag s PRO 346 Cb -0.19 -3.60 -0.02 0.00 0.02 0.00 0.00 34.50 30.71 1fag s PRO 346 CO 0.05 -0.48 -0.23 -0.51 -0.33 0.00 0.00 177.00 175.51 1fag s LEU 347 N 2.53 2.22 0.63 -5.54 1.43 0.77 -4.91 118.68 115.82 1fag s LEU 347 Ca 0.52 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 53.12 1fag s LEU 347 Cb -0.21 -1.41 0.03 0.00 0.03 0.00 0.00 46.19 44.63 1fag s LEU 347 CO 0.17 0.27 0.93 -1.61 0.23 0.00 0.00 176.35 176.34 1fag s GLU 348 N -0.31 2.59 0.40 1.70 2.02 -1.26 -0.37 118.70 123.48 1fag s GLU 348 Ca 0.01 -0.19 -0.26 0.00 0.02 0.00 0.00 54.97 54.55 1fag s GLU 348 Cb -0.13 -2.26 -0.09 0.00 0.10 0.00 0.00 34.13 31.76 1fag s GLU 348 CO 0.02 -0.91 1.32 0.21 0.02 0.00 0.00 175.26 175.92 1fag s LYS 349 N -5.06 3.98 0.00 1.61 2.20 -1.26 -2.29 119.74 118.91 1fag s LYS 349 Ca 0.57 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 58.36 1fag s LYS 349 Cb -0.11 -2.77 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1fag s LYS 349 CO 0.44 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 175.35 1fag n GLY 350 N 0.66 0.90 3.68 5.54 0.00 0.30 -4.90 105.19 111.38 1fag n GLY 350 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.86 6.80 0.17 1.61 1.11 -0.97 -4.56 116.67 117.97 1fag s ASP 351 Ca 0.00 2.12 -0.30 0.00 0.18 0.00 0.00 52.55 54.55 1fag s ASP 351 Cb 0.00 -2.55 -0.07 0.00 1.07 0.00 0.00 42.92 41.36 1fag s ASP 351 CO 0.00 -0.78 1.09 -1.61 1.18 0.00 0.00 175.17 175.04 1fag s GLU 352 N 2.92 4.60 0.07 8.23 2.02 -1.26 -0.45 118.70 134.83 1fag s GLU 352 Ca 0.66 1.69 0.08 0.00 0.02 0.00 0.00 54.97 57.41 1fag s GLU 352 Cb -0.31 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.60 1fag s GLU 352 CO 0.26 0.08 -0.21 -0.51 0.02 0.00 0.00 175.26 174.90 1fag s LEU 353 N -0.29 2.23 -0.08 1.80 1.02 -0.31 -2.65 118.68 120.40 1fag s LEU 353 Ca 0.49 -0.61 -0.00 0.00 0.02 0.00 0.00 54.13 54.03 1fag s LEU 353 Cb -0.29 -0.95 0.02 0.00 0.02 0.00 0.00 46.19 45.00 1fag s LEU 353 CO 0.34 0.12 -0.05 -0.32 0.02 0.00 0.00 176.35 176.46 1fag s MET 354 N -1.54 1.11 -0.53 1.70 1.75 0.16 -1.60 119.30 120.35 1fag s MET 354 Ca 0.07 -0.12 -0.20 0.00 -1.25 0.00 0.00 55.69 54.20 1fag s MET 354 Cb -0.09 -1.23 0.06 0.00 2.84 0.00 0.00 34.83 36.41 1fag s MET 354 CO 0.03 -0.22 0.69 0.08 -0.65 0.00 0.00 175.02 174.95 1fag s VAL 355 N 1.55 4.79 -1.14 10.11 1.01 -0.53 -0.31 120.40 135.88 1fag s VAL 355 Ca 0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 1fag s VAL 355 Cb -0.13 -4.37 0.03 0.00 0.00 0.00 0.00 36.38 31.91 1fag s VAL 355 CO -0.05 -0.91 1.67 -0.76 0.00 0.00 0.00 175.10 175.05 1fag s LEU 356 N 2.85 3.55 0.23 3.92 1.43 -0.82 -3.43 118.68 126.41 1fag s LEU 356 Ca 0.17 -1.80 -0.06 0.00 -1.03 0.00 0.00 54.13 51.40 1fag s LEU 356 Cb -0.19 -2.58 0.40 0.00 0.03 0.00 0.00 46.19 43.85 1fag s LEU 356 CO 0.12 -1.67 1.72 0.40 0.23 0.00 0.00 176.35 177.14 1fag h ILE 357 N 6.28 0.63 -0.02 -0.59 2.04 -1.65 -1.12 117.51 123.07 1fag h ILE 357 Ca 0.29 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 66.04 1fag h ILE 357 Cb 0.94 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1fag h ILE 357 CO 1.40 0.06 0.02 1.55 0.00 0.00 0.00 178.15 181.19 1fag h PRO 358 N 0.36 0.00 0.23 2.37 0.13 -1.88 -1.92 132.00 131.29 1fag h PRO 358 Ca 0.38 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 65.19 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 -0.42 0.00 -1.39 1.96 -0.23 0.00 0.00 178.00 177.92 1fag h GLN 359 N 0.00 0.50 -0.32 0.86 1.08 -1.54 -3.23 115.11 112.45 1fag h GLN 359 Ca 0.01 -0.85 0.05 0.00 -1.45 0.00 0.00 58.65 56.41 1fag h GLN 359 Cb 0.06 0.32 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 1fag h GLN 359 CO -0.00 1.41 0.22 1.25 -0.95 0.00 0.00 178.83 180.76 1fag h LEU 360 N 0.06 0.18 -0.41 1.46 5.85 -0.96 0.19 115.31 121.68 1fag h LEU 360 Ca -0.25 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1fag h LEU 360 Cb 2.08 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 43.07 1fag h LEU 360 CO 0.25 0.12 0.00 1.41 -0.34 0.00 0.00 178.44 179.88 1fag n HIS 361 N -4.48 0.06 -0.04 1.25 8.25 -0.87 -3.00 115.22 116.38 1fag n HIS 361 Ca 0.04 -0.03 0.03 0.00 -0.26 0.00 0.00 57.72 57.50 1fag n HIS 361 Cb 0.24 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.43 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 -0.42 2.44 -2.16 -0.41 1.74 0.63 -4.83 116.66 113.66 1fag n ARG 362 Ca 0.17 -1.65 -0.42 0.00 -0.77 0.00 0.00 57.85 55.18 1fag n ARG 362 Cb 0.18 -1.14 -0.03 0.00 -1.02 0.00 0.00 32.46 30.45 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 -0.92 5.90 0.52 0.55 2.15 -1.07 -4.85 116.67 118.94 1fag s ASP 363 Ca 0.12 0.81 0.19 0.00 0.43 0.00 0.00 52.55 54.09 1fag s ASP 363 Cb 0.06 -2.53 1.30 0.00 -0.30 0.00 0.00 42.92 41.45 1fag s ASP 363 CO 0.08 -1.79 2.10 0.07 -0.17 0.00 0.00 175.17 175.46 1fag h LYS 364 N 12.50 0.02 0.00 4.34 -0.00 -1.93 -0.30 116.57 131.20 1fag h LYS 364 Ca -0.29 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.36 1fag h LYS 364 Cb 1.14 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.37 1fag h LYS 364 CO 1.11 0.01 0.00 0.25 -0.00 0.00 0.00 179.45 180.82 1fag n THR 365 N -4.49 1.14 -0.03 0.07 -2.24 -1.26 0.47 114.28 107.94 1fag n THR 365 Ca 0.01 0.33 -0.06 0.00 -2.27 0.00 0.00 64.05 62.06 1fag n THR 365 Cb 0.25 -1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 67.26 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 -1.74 0.37 0.11 2.28 2.08 -0.71 -4.81 119.36 116.94 1fag n ILE 366 Ca 0.02 -0.12 0.11 0.00 0.56 0.00 0.00 62.75 63.32 1fag n ILE 366 Cb 0.14 -1.07 -0.11 0.00 -0.75 0.00 0.00 39.64 37.85 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 -2.93 0.26 0.00 1.39 7.02 -0.20 -5.02 117.44 117.95 1fag n TRP 367 Ca -0.12 0.07 0.00 0.00 -1.02 0.00 0.00 57.50 56.43 1fag n TRP 367 Cb 0.61 -0.58 0.00 0.00 -2.42 0.00 0.00 31.31 28.92 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 1.26 1.08 0.86 6.99 0.00 0.18 -4.68 105.19 110.88 1fag n GLY 368 Ca -0.02 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.90 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 1.64 -0.62 1.61 8.00 -1.26 -3.10 116.55 122.81 1fag n ASP 369 Ca 0.00 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.17 1fag n ASP 369 Cb 0.00 -0.33 -0.00 0.00 -0.02 0.00 0.00 41.12 40.77 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 0.53 0.08 -0.34 -2.24 5.75 -1.26 -4.95 116.55 114.12 1fag n ASP 370 Ca 0.00 -1.81 0.31 0.00 -0.01 0.00 0.00 54.79 53.28 1fag n ASP 370 Cb 0.29 -0.16 0.53 0.00 -1.03 0.00 0.00 41.12 40.75 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 0.05 -0.26 1.79 2.12 0.24 -1.18 -0.60 118.33 120.49 1fag n VAL 371 Ca -0.00 1.55 0.10 0.00 -2.04 0.00 0.00 64.34 63.95 1fag n VAL 371 Cb 0.71 -2.54 0.60 0.00 -1.47 0.00 0.00 33.84 31.14 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 -4.54 0.89 -3.45 7.34 4.07 -1.26 -4.84 120.64 118.85 1fag n GLU 372 Ca 0.32 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 57.06 1fag n GLU 372 Cb 1.20 -1.36 -0.06 0.00 -0.06 0.00 0.00 31.44 31.17 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 -2.00 3.94 -0.83 5.31 0.41 0.24 -5.03 118.70 120.74 1fag s GLU 373 Ca 0.31 0.43 -0.20 0.00 -0.41 0.00 0.00 54.97 55.09 1fag s GLU 373 Cb 0.14 -3.12 0.11 0.00 -1.78 0.00 0.00 34.13 29.47 1fag s GLU 373 CO 0.24 0.62 1.07 0.12 -0.49 0.00 0.00 175.26 176.81 1fag s PHE 374 N -1.22 2.93 -0.51 1.61 5.36 -1.26 -4.93 117.98 119.96 1fag s PHE 374 Ca 0.29 -1.06 0.04 0.00 -0.96 0.00 0.00 56.93 55.24 1fag s PHE 374 Cb -0.16 -4.29 0.13 0.00 -0.34 0.00 0.00 43.02 38.36 1fag s PHE 374 CO 0.16 -1.56 0.26 0.50 -1.46 0.00 0.00 175.22 173.13 1fag s ARG 375 N 3.26 1.86 0.32 10.12 3.52 -1.26 -4.97 118.95 131.81 1fag s ARG 375 Ca 0.29 -2.54 0.09 0.00 -0.13 0.00 0.00 55.73 53.44 1fag s ARG 375 Cb -0.10 -3.14 0.88 0.00 -1.56 0.00 0.00 34.95 31.04 1fag s ARG 375 CO -0.02 -1.13 1.72 -1.35 -0.81 0.00 0.00 175.30 173.72 1fag h PRO 376 N 6.50 0.54 -0.37 5.12 0.11 -1.92 -0.56 132.00 141.42 1fag h PRO 376 Ca -0.06 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.13 1fag h PRO 376 Cb 0.89 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 1fag h PRO 376 CO 0.65 0.36 0.63 0.93 -0.21 0.00 0.00 178.00 180.36 1fag h GLU 377 N 0.55 0.00 -0.23 1.05 3.07 -1.93 0.13 114.58 117.22 1fag h GLU 377 Ca 0.64 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.57 1fag h GLU 377 Cb 1.23 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 1fag h GLU 377 CO -0.49 0.00 0.26 0.00 -1.40 0.00 0.00 179.01 177.39 1fag h ARG 378 N 0.00 0.00 -0.92 2.33 3.08 -1.51 0.31 114.38 117.68 1fag h ARG 378 Ca 0.18 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.78 1fag h ARG 378 Cb 1.44 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 31.22 1fag h ARG 378 CO -0.00 0.00 0.55 1.19 -1.07 0.00 0.00 179.97 180.64 1fag n PHE 379 N -3.76 2.86 -0.06 3.04 3.01 0.45 -4.43 117.46 118.56 1fag n PHE 379 Ca 0.03 -1.72 -0.15 0.00 1.01 0.00 0.00 57.45 56.62 1fag n PHE 379 Cb 0.40 -0.88 -0.06 0.00 -0.01 0.00 0.00 39.48 38.93 1fag n PHE 379 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1fag h GLU 380 N 1.30 0.65 -3.76 -1.08 4.57 -0.54 -3.38 114.58 112.34 1fag h GLU 380 Ca 0.55 -0.43 -0.64 0.00 -1.18 0.00 0.00 59.36 57.66 1fag h GLU 380 Cb 2.72 0.06 -0.40 0.00 -0.16 0.00 0.00 28.75 30.96 1fag h GLU 380 CO 1.00 1.05 -0.68 1.21 -1.18 0.00 0.00 179.01 180.41 1fag s ASN 381 N -6.68 4.35 0.50 1.04 2.47 -1.26 -4.97 114.94 110.39 1fag s ASN 381 Ca -0.12 -2.60 0.26 0.00 0.42 0.00 0.00 52.86 50.82 1fag s ASN 381 Cb 0.08 -1.51 1.34 0.00 -1.45 0.00 0.00 41.25 39.71 1fag s ASN 381 CO 0.84 -0.29 1.89 -0.65 -3.72 0.00 0.00 177.10 175.16 1fag h PRO 382 N 6.98 0.13 -0.86 0.43 0.11 -1.88 -1.33 132.00 135.58 1fag h PRO 382 Ca -0.06 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.19 1fag h PRO 382 Cb 0.94 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.96 1fag h PRO 382 CO 0.59 0.09 0.56 1.03 -0.21 0.00 0.00 178.00 180.06 1fag h SER 383 N 0.13 0.59 -0.24 -2.05 0.87 -1.97 -2.37 113.55 108.51 1fag h SER 383 Ca 0.42 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 61.01 1fag h SER 383 Cb 1.47 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 1fag h SER 383 CO -0.06 0.30 0.13 0.00 -0.53 0.00 0.00 176.83 176.66 1fag h ALA 384 N 1.61 1.71 -2.11 6.23 0.00 -1.63 -3.43 119.26 121.63 1fag h ALA 384 Ca 0.43 -0.06 -0.56 0.00 0.00 0.00 0.00 54.91 54.72 1fag h ALA 384 Cb 0.77 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1fag h ALA 384 CO -0.19 0.24 1.15 0.42 0.00 0.00 0.00 179.25 180.87 1fag s ILE 385 N -5.24 3.57 0.58 0.00 1.09 -0.89 -4.97 121.20 115.33 1fag s ILE 385 Ca -0.07 0.66 -0.20 0.00 -1.10 0.00 0.00 60.65 59.94 1fag s ILE 385 Cb 0.17 -3.54 -0.04 0.00 -1.06 0.00 0.00 42.46 37.99 1fag s ILE 385 CO 0.72 -0.19 1.26 -2.84 -0.10 0.00 0.00 174.94 173.80 1fag s PRO 386 N 4.62 3.02 0.56 2.79 0.02 -1.26 -4.93 135.00 139.82 1fag s PRO 386 Ca 0.75 1.98 -0.19 0.00 0.02 0.00 0.00 61.00 63.57 1fag s PRO 386 Cb -0.29 -2.06 -0.05 0.00 0.02 0.00 0.00 34.50 32.13 1fag s PRO 386 CO 0.30 -1.21 1.12 -1.14 -0.33 0.00 0.00 177.00 175.75 1fag s GLN 387 N -3.15 3.27 -0.23 5.54 -0.44 -1.26 -2.51 119.66 120.89 1fag s GLN 387 Ca 0.75 1.54 0.00 0.00 -2.50 0.00 0.00 55.36 55.15 1fag s GLN 387 Cb -0.34 -2.00 0.00 0.00 -1.64 0.00 0.00 33.01 29.02 1fag s GLN 387 CO 0.39 -0.90 0.00 0.72 0.50 0.00 0.00 175.29 176.00 1fag n HIS 388 N -1.52 0.00 -0.02 1.67 8.25 -1.26 -4.82 115.22 117.51 1fag n HIS 388 Ca 0.11 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.65 1fag n HIS 388 Cb 0.51 -1.01 -0.16 0.00 1.12 0.00 0.00 29.99 30.45 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 1.04 2.58 -3.55 -1.41 0.00 -1.05 -4.58 120.51 113.55 1fag n ALA 389 Ca -0.02 -0.63 -0.28 0.00 0.00 0.00 0.00 53.44 52.50 1fag n ALA 389 Cb 0.21 -0.64 -0.12 0.00 0.00 0.00 0.00 19.45 18.91 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 -3.31 1.44 -0.70 0.00 5.36 -1.26 -4.50 117.98 115.00 1fag s PHE 390 Ca -0.08 -2.21 0.04 0.00 -0.96 0.00 0.00 56.93 53.72 1fag s PHE 390 Cb 0.12 -1.35 0.32 0.00 -0.34 0.00 0.00 43.02 41.77 1fag s PHE 390 CO 0.87 -0.79 1.10 1.63 -1.46 0.00 0.00 175.22 176.57 1fag n LYS 391 N 3.37 3.57 0.25 10.12 5.02 -1.26 -4.84 118.16 134.39 1fag n LYS 391 Ca 0.17 -4.78 0.14 0.00 -2.02 0.00 0.00 58.31 51.82 1fag n LYS 391 Cb 0.39 -2.30 0.41 0.00 -0.02 0.00 0.00 35.03 33.51 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 3.57 0.00 -1.23 1.97 0.13 -1.94 -3.30 132.00 131.20 1fag h PRO 392 Ca 0.22 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.72 1fag h PRO 392 Cb 0.51 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.27 1fag h PRO 392 CO 0.92 0.00 -0.05 1.19 -0.23 0.00 0.00 178.00 179.83 1fag n PHE 393 N -3.10 3.08 -4.55 1.56 3.72 -1.26 -4.76 117.46 112.15 1fag n PHE 393 Ca 0.02 -2.66 0.00 0.00 -0.05 0.00 0.00 57.45 54.76 1fag n PHE 393 Cb 0.43 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 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 -0.67 -1.11 2.91 1.37 0.00 -1.24 -1.81 105.19 104.63 1fag n GLY 394 Ca 0.49 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 0.16 0.85 1.61 2.47 -1.25 -4.84 114.94 109.94 1fag s ASN 395 Ca 0.00 -0.12 0.00 0.00 0.42 0.00 0.00 52.86 53.16 1fag s ASN 395 Cb 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 41.25 39.81 1fag s ASN 395 CO 0.00 -0.05 0.00 0.61 -3.72 0.00 0.00 177.10 173.94 1fag n GLY 396 N 2.76 2.68 0.29 1.21 0.00 -1.26 -2.80 105.19 108.07 1fag n GLY 396 Ca -0.14 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.01 1.61 3.07 -2.01 -2.54 115.11 113.24 1fag h GLN 397 Ca 0.00 0.00 -0.76 0.00 0.09 0.00 0.00 58.65 57.98 1fag h GLN 397 Cb 0.00 0.00 -0.29 0.00 0.08 0.00 0.00 27.48 27.27 1fag h GLN 397 CO 0.00 0.00 0.86 0.54 0.09 0.00 0.00 178.83 180.32 1fag n ARG 398 N -4.26 3.29 -3.56 0.06 5.12 -1.12 -4.98 116.66 111.20 1fag n ARG 398 Ca -0.01 -3.84 -0.20 0.00 -1.93 0.00 0.00 57.85 51.87 1fag n ARG 398 Cb 0.17 -2.30 -0.02 0.00 -1.16 0.00 0.00 32.46 29.14 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 -4.06 4.07 -0.27 7.54 0.00 -0.96 -3.76 121.76 124.32 1fag s ALA 399 Ca 0.49 -1.73 -0.36 0.00 0.00 0.00 0.00 51.96 50.37 1fag s ALA 399 Cb 0.39 -1.23 -0.12 0.00 0.00 0.00 0.00 23.12 22.16 1fag s ALA 399 CO -0.34 -0.13 2.03 0.00 0.00 0.00 0.00 175.76 177.32 1fag h ILE 401 N 6.36 1.40 -0.56 0.00 1.08 -1.95 -3.15 117.51 120.69 1fag h ILE 401 Ca -0.36 -2.11 0.00 0.00 -0.39 0.00 0.00 64.86 62.00 1fag h ILE 401 Cb 1.31 2.09 0.00 0.00 -3.07 0.00 0.00 36.82 37.15 1fag h ILE 401 CO 0.99 0.62 0.00 0.61 -0.69 0.00 0.00 178.15 179.68 1fag n GLY 402 N 0.42 1.78 0.32 5.37 0.00 -1.26 -4.65 105.19 107.16 1fag n GLY 402 Ca -0.03 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 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 1.28 -0.27 0.19 1.61 7.27 -1.19 0.04 117.38 126.31 1fag n GLN 403 Ca 0.20 1.21 0.03 0.00 0.07 0.00 0.00 57.00 58.51 1fag n GLN 403 Cb 0.52 -1.78 0.37 0.00 2.41 0.00 0.00 30.24 31.76 1fag n GLN 403 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1fag h GLN 404 N 0.00 0.00 -0.17 3.69 5.75 -1.88 -2.12 115.11 120.38 1fag h GLN 404 Ca 0.20 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 1fag h GLN 404 Cb 0.40 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 1fag h GLN 404 CO -0.77 0.36 0.07 0.35 -2.65 0.00 0.00 178.83 176.20 1fag h PHE 405 N 0.00 0.27 0.48 3.99 3.04 -0.73 0.66 116.94 124.66 1fag h PHE 405 Ca -0.00 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 1fag h PHE 405 Cb 0.66 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 1fag h PHE 405 CO 0.00 0.32 -0.40 0.00 -2.02 0.00 0.00 178.31 176.22 1fag h ALA 406 N 0.91 -1.12 -0.74 2.41 0.00 -0.94 -0.60 119.26 119.18 1fag h ALA 406 Ca 0.06 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1fag h ALA 406 Cb 0.17 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1fag h ALA 406 CO -0.00 -1.12 0.49 -0.07 0.00 0.00 0.00 179.25 178.54 1fag h LEU 407 N -0.86 0.69 -0.39 0.00 4.07 -1.37 0.20 115.31 117.65 1fag h LEU 407 Ca -0.06 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.82 1fag h LEU 407 Cb 0.72 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 1fag h LEU 407 CO -0.00 0.44 -0.09 -0.74 -1.08 0.00 0.00 178.44 176.97 1fag h HIS 408 N 0.78 0.84 0.16 1.13 2.76 -0.60 0.31 115.15 120.53 1fag h HIS 408 Ca 0.32 -0.18 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1fag h HIS 408 Cb 0.26 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.01 1fag h HIS 408 CO -0.00 0.88 -0.08 1.49 -1.30 0.00 0.00 177.93 178.92 1fag h GLU 409 N 0.56 -0.20 -0.39 5.26 4.81 -0.23 -1.37 114.58 123.02 1fag h GLU 409 Ca 0.10 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.40 1fag h GLU 409 Cb 0.60 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.98 1fag h GLU 409 CO 0.04 0.04 0.09 0.00 -0.73 0.00 0.00 179.01 178.45 1fag h ALA 410 N 0.36 0.43 -0.38 2.92 0.00 -0.57 -0.83 119.26 121.18 1fag h ALA 410 Ca -0.02 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1fag h ALA 410 Cb 0.34 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1fag h ALA 410 CO 0.04 -0.31 0.18 1.15 0.00 0.00 0.00 179.25 180.30 1fag h THR 411 N 0.22 1.18 0.47 0.00 2.02 -0.91 0.85 112.91 116.74 1fag h THR 411 Ca 0.18 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1fag h THR 411 Cb 0.21 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1fag h THR 411 CO -0.23 0.19 -0.42 0.25 0.37 0.00 0.00 175.52 175.68 1fag h LEU 412 N 0.48 -1.12 -0.21 2.58 5.85 -0.68 0.12 115.31 122.32 1fag h LEU 412 Ca 0.13 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1fag h LEU 412 Cb 0.14 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1fag h LEU 412 CO -0.01 -0.59 0.06 1.62 -0.34 0.00 0.00 178.44 179.18 1fag h VAL 413 N -0.89 1.19 -0.90 1.05 3.04 -1.14 -1.06 116.25 117.54 1fag h VAL 413 Ca -0.05 -0.59 0.06 0.00 -1.01 0.00 0.00 66.70 65.11 1fag h VAL 413 Cb 0.77 1.20 -0.06 0.00 -2.01 0.00 0.00 31.29 31.19 1fag h VAL 413 CO -0.04 0.19 0.58 0.25 -1.01 0.00 0.00 177.57 177.55 1fag h LEU 414 N 0.16 0.90 0.37 3.16 6.46 -0.77 0.16 115.31 125.75 1fag h LEU 414 Ca 0.07 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1fag h LEU 414 Cb 0.23 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1fag h LEU 414 CO -0.00 0.58 -0.18 1.23 -0.62 0.00 0.00 178.44 179.45 1fag h GLY 415 N 1.03 -0.52 0.74 3.75 0.00 -0.43 -1.86 103.07 105.78 1fag h GLY 415 Ca 0.38 0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.96 1fag h GLY 415 CO -0.14 -0.19 0.41 -0.33 0.00 0.00 0.00 176.54 176.29 1fag h MET 416 N -0.59 0.75 0.26 4.80 2.86 -0.13 -1.42 114.93 121.47 1fag h MET 416 Ca -0.05 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1fag h MET 416 Cb 0.43 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1fag h MET 416 CO 0.08 0.49 -0.28 0.52 1.06 0.00 0.00 176.91 178.79 1fag h MET 417 N 0.77 -0.56 0.00 1.72 2.07 -0.60 -0.99 114.93 117.34 1fag h MET 417 Ca 0.30 0.04 -0.01 0.00 -2.07 0.00 0.00 59.70 57.96 1fag h MET 417 Cb 0.14 0.13 -0.00 0.00 -1.87 0.00 0.00 31.60 29.99 1fag h MET 417 CO -0.16 -0.37 -0.05 -0.07 1.07 0.00 0.00 176.91 177.33 1fag h LEU 418 N -0.58 0.00 -0.20 1.22 3.38 -1.09 -1.04 115.31 117.01 1fag h LEU 418 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1fag h LEU 418 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1fag h LEU 418 CO -0.07 0.05 -0.54 0.50 0.09 0.00 0.00 178.44 178.47 1fag h LYS 419 N 0.00 0.71 0.00 1.13 3.64 -0.27 -3.37 116.57 118.41 1fag h LYS 419 Ca -0.00 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1fag h LYS 419 Cb 0.12 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1fag h LYS 419 CO 0.01 1.12 -1.29 0.72 -2.27 0.00 0.00 179.45 177.75 1fag n HIS 420 N -4.11 0.00 -4.33 1.91 8.25 -0.47 -4.91 115.22 111.56 1fag n HIS 420 Ca -0.06 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.22 1fag n HIS 420 Cb 0.62 -0.16 -0.10 0.00 1.12 0.00 0.00 29.99 31.46 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 -3.06 1.58 -0.35 4.41 0.08 -0.43 -0.96 117.98 119.25 1fag s PHE 421 Ca 0.02 -0.77 -0.03 0.00 0.12 0.00 0.00 56.93 56.27 1fag s PHE 421 Cb 0.14 -0.85 0.07 0.00 -0.57 0.00 0.00 43.02 41.81 1fag s PHE 421 CO 0.83 0.13 0.09 -0.51 -0.10 0.00 0.00 175.22 175.66 1fag s ASP 422 N -3.30 5.09 -0.22 1.36 1.01 0.27 -4.75 116.67 116.13 1fag s ASP 422 Ca 0.24 -1.57 -0.19 0.00 0.71 0.00 0.00 52.55 51.74 1fag s ASP 422 Cb 0.03 -1.78 -0.03 0.00 1.01 0.00 0.00 42.92 42.16 1fag s ASP 422 CO 0.07 -0.38 0.57 -0.36 0.21 0.00 0.00 175.17 175.28 1fag s PHE 423 N 1.22 3.34 -0.13 4.23 0.08 -1.26 0.05 117.98 125.50 1fag s PHE 423 Ca 0.01 0.80 -0.00 0.00 0.12 0.00 0.00 56.93 57.86 1fag s PHE 423 Cb -0.21 -2.75 -0.01 0.00 -0.57 0.00 0.00 43.02 39.48 1fag s PHE 423 CO -0.02 -0.20 -0.13 -2.00 -0.10 0.00 0.00 175.22 172.77 1fag s GLU 424 N 2.00 3.38 -1.55 0.44 2.12 0.14 -4.96 118.70 120.27 1fag s GLU 424 Ca 0.25 -0.69 -0.11 0.00 0.36 0.00 0.00 54.97 54.78 1fag s GLU 424 Cb -0.16 -2.63 -0.05 0.00 0.26 0.00 0.00 34.13 31.55 1fag s GLU 424 CO 0.09 0.20 2.71 -3.47 -0.54 0.00 0.00 175.26 174.26 1fag n ASP 425 N 3.55 7.09 0.00 -1.70 -0.08 -1.26 -2.03 116.55 122.13 1fag n ASP 425 Ca -0.18 -2.65 0.00 0.00 -1.51 0.00 0.00 54.79 50.45 1fag n ASP 425 Cb 0.53 -1.58 0.00 0.00 2.34 0.00 0.00 41.12 42.41 1fag n ASP 425 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fag n HIS 426 N 4.42 0.00 -0.37 -0.67 1.44 -1.26 -1.51 115.22 117.27 1fag n HIS 426 Ca 0.69 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.40 1fag n HIS 426 Cb 0.28 -0.21 0.00 0.00 0.12 0.00 0.00 29.99 30.18 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 -1.15 0.28 -3.99 0.61 -2.24 -1.26 -5.00 114.28 101.53 1fag n THR 427 Ca 0.00 -0.46 -0.29 0.00 -2.27 0.00 0.00 64.05 61.03 1fag n THR 427 Cb 0.13 1.06 -0.00 0.00 -2.10 0.00 0.00 70.33 69.42 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 -0.14 -2.43 -4.63 3.42 5.15 -0.57 -4.73 115.26 111.32 1fag n ASN 428 Ca 0.00 -0.93 -0.57 0.00 -0.60 0.00 0.00 54.58 52.49 1fag n ASN 428 Cb 0.21 -3.30 -0.07 0.00 -0.53 0.00 0.00 39.78 36.08 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 -4.45 1.57 -3.36 1.20 9.36 -1.26 -4.92 117.16 115.29 1fag n TYR 429 Ca -0.11 0.73 -0.38 0.00 3.32 0.00 0.00 57.90 61.46 1fag n TYR 429 Cb 0.59 -2.32 -0.07 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 1.63 4.18 0.13 2.98 2.56 -1.26 -5.01 118.70 123.91 1fag s GLU 430 Ca 0.92 0.25 -0.35 0.00 0.00 0.00 0.00 54.97 55.79 1fag s GLU 430 Cb -1.10 -3.54 -0.15 0.00 2.00 0.00 0.00 34.13 31.33 1fag s GLU 430 CO 0.58 -0.06 1.41 -0.11 -0.56 0.00 0.00 175.26 176.52 1fag n LEU 431 N 4.54 2.22 -3.70 2.70 7.94 -1.26 -4.99 117.00 124.46 1fag n LEU 431 Ca -0.08 1.11 -0.24 0.00 -1.11 0.00 0.00 56.01 55.69 1fag n LEU 431 Cb 0.51 -1.29 -0.17 0.00 0.53 0.00 0.00 43.42 43.00 1fag n LEU 431 CO 0.40 -0.77 -0.35 -0.62 -1.11 0.00 0.00 177.39 174.93 1fag s ASP 432 N 0.58 2.03 -0.36 1.96 -1.08 -1.26 -5.05 116.67 113.48 1fag s ASP 432 Ca 0.81 -0.38 -0.13 0.00 -0.52 0.00 0.00 52.55 52.33 1fag s ASP 432 Cb -0.83 -0.36 0.00 0.00 -1.46 0.00 0.00 42.92 40.27 1fag s ASP 432 CO 0.44 -0.28 0.25 -0.63 0.52 0.00 0.00 175.17 175.48 1fag s ILE 433 N 2.03 5.16 0.08 4.11 1.01 -1.26 0.80 121.20 133.13 1fag s ILE 433 Ca 0.03 -0.44 -0.27 0.00 0.00 0.00 0.00 60.65 59.97 1fag s ILE 433 Cb -0.14 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 1fag s ILE 433 CO -0.06 -0.13 0.83 -0.75 0.00 0.00 0.00 174.94 174.82 1fag s LYS 434 N 1.68 4.57 -0.18 2.79 2.20 0.11 -4.86 119.74 126.06 1fag s LYS 434 Ca 0.05 1.19 -0.04 0.00 -0.36 0.00 0.00 55.97 56.82 1fag s LYS 434 Cb -0.18 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.76 1fag s LYS 434 CO 0.10 0.30 -0.03 -1.21 -0.36 0.00 0.00 175.35 174.15 1fag s GLU 435 N -0.17 3.62 -0.35 4.03 2.02 -1.26 -2.24 118.70 124.35 1fag s GLU 435 Ca 0.41 -0.53 0.15 0.00 0.02 0.00 0.00 54.97 55.01 1fag s GLU 435 Cb -0.22 -2.98 0.40 0.00 0.10 0.00 0.00 34.13 31.44 1fag s GLU 435 CO 0.25 0.12 0.84 0.25 0.02 0.00 0.00 175.26 176.74 1fag n THR 436 N 3.91 0.41 0.00 3.63 -2.24 -1.26 -4.90 114.28 113.83 1fag n THR 436 Ca -0.17 -3.88 0.00 0.00 -2.27 0.00 0.00 64.05 57.73 1fag n THR 436 Cb 0.52 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 0.11 0.00 -4.87 3.22 4.77 -1.26 -4.73 117.00 114.24 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 0.01 0.00 -2.33 0.00 0.00 43.42 41.83 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 4.68 0.05 -5.08 -4.23 -1.26 -4.63 115.64 105.17 1fag s THR 438 Ca 0.00 0.88 0.02 0.00 -1.18 0.00 0.00 61.69 61.40 1fag s THR 438 Cb 0.00 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 1fag s THR 438 CO 0.00 -1.13 0.09 -0.76 -0.54 0.00 0.00 174.62 172.28 1fag s LEU 439 N -5.17 3.89 -0.22 4.79 1.43 -0.89 -4.34 118.68 118.18 1fag s LEU 439 Ca 0.55 0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 53.45 1fag s LEU 439 Cb -0.11 -2.47 0.11 0.00 0.03 0.00 0.00 46.19 43.74 1fag s LEU 439 CO 0.54 0.20 0.93 -0.75 0.23 0.00 0.00 176.35 177.50 1fag s LYS 440 N -2.20 0.65 -0.15 1.70 2.20 -0.95 -4.72 119.74 116.26 1fag s LYS 440 Ca 0.28 0.51 -0.29 0.00 -0.36 0.00 0.00 55.97 56.10 1fag s LYS 440 Cb -0.12 0.31 -0.02 0.00 -1.51 0.00 0.00 37.83 36.49 1fag s LYS 440 CO 0.20 -0.13 1.38 -2.14 -0.36 0.00 0.00 175.35 174.30 1fag s PRO 441 N -0.26 4.18 0.03 4.03 0.02 -1.26 0.06 135.00 141.79 1fag s PRO 441 Ca -0.00 1.78 -0.16 0.00 0.02 0.00 0.00 61.00 62.63 1fag s PRO 441 Cb -0.03 -3.84 -0.06 0.00 0.02 0.00 0.00 34.50 30.59 1fag s PRO 441 CO -0.01 -0.79 0.46 -2.00 -0.33 0.00 0.00 177.00 174.32 1fag s GLU 442 N 3.73 4.00 -0.55 5.54 2.12 0.24 -4.11 118.70 129.67 1fag s GLU 442 Ca 0.60 0.50 0.00 0.00 0.36 0.00 0.00 54.97 56.44 1fag s GLU 442 Cb -0.25 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1fag s GLU 442 CO 0.20 0.67 0.00 0.41 -0.54 0.00 0.00 175.26 176.00 1fag n GLY 443 N 1.75 0.70 3.66 -1.50 0.00 -1.26 -4.51 105.19 104.02 1fag n GLY 443 Ca -0.13 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.90 2.60 0.03 1.61 5.36 -1.26 -4.99 117.98 119.44 1fag s PHE 444 Ca 0.00 0.79 0.01 0.00 -0.96 0.00 0.00 56.93 56.77 1fag s PHE 444 Cb 0.00 -3.66 -0.02 0.00 -0.34 0.00 0.00 43.02 38.99 1fag s PHE 444 CO 0.00 -2.24 -0.05 0.14 -1.46 0.00 0.00 175.22 171.61 1fag s VAL 445 N 3.82 0.31 0.25 3.12 -7.23 -1.26 -1.84 120.40 117.55 1fag s VAL 445 Ca 0.60 -1.10 -0.01 0.00 -1.81 0.00 0.00 61.98 59.66 1fag s VAL 445 Cb -0.24 -0.56 0.00 0.00 0.56 0.00 0.00 36.38 36.14 1fag s VAL 445 CO 0.19 -0.52 0.34 1.33 -0.31 0.00 0.00 175.10 176.14 1fag n VAL 446 N 1.34 0.00 -4.14 1.32 0.24 -0.84 -4.70 118.33 111.56 1fag n VAL 446 Ca -0.22 -1.28 -0.24 0.00 -2.04 0.00 0.00 64.34 60.56 1fag n VAL 446 Cb 0.56 0.78 -0.17 0.00 -1.47 0.00 0.00 33.84 33.54 1fag n VAL 446 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1fag s LYS 447 N -2.58 1.26 -0.35 7.34 1.02 -0.86 0.02 119.74 125.59 1fag s LYS 447 Ca 0.21 -0.21 -0.12 0.00 0.02 0.00 0.00 55.97 55.88 1fag s LYS 447 Cb -0.01 -1.26 0.00 0.00 -0.52 0.00 0.00 37.83 36.05 1fag s LYS 447 CO 0.15 -0.15 0.21 0.00 -0.92 0.00 0.00 175.35 174.65 1fag s ALA 448 N 1.26 3.37 -0.24 5.17 0.00 -1.26 -0.68 121.76 129.37 1fag s ALA 448 Ca -0.04 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.25 1fag s ALA 448 Cb -0.14 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 1fag s ALA 448 CO -0.02 -1.13 0.33 0.15 0.00 0.00 0.00 175.76 175.08 1fag s LYS 449 N 1.64 4.07 0.33 0.00 -0.14 0.11 -4.82 119.74 120.93 1fag s LYS 449 Ca 0.04 0.01 -0.29 0.00 -1.36 0.00 0.00 55.97 54.37 1fag s LYS 449 Cb -0.18 -3.60 -0.12 0.00 -1.68 0.00 0.00 37.83 32.25 1fag s LYS 449 CO 0.08 -0.14 1.50 -1.13 -0.76 0.00 0.00 175.35 174.90 1fag n SER 450 N 4.87 3.63 -0.68 2.83 3.41 -1.26 0.94 113.62 127.37 1fag n SER 450 Ca -0.10 1.19 0.12 0.00 -0.26 0.00 0.00 58.87 59.82 1fag n SER 450 Cb 0.51 -1.58 0.36 0.00 -0.26 0.00 0.00 64.21 63.24 1fag n SER 450 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1fag n LYS 451 N 1.20 1.92 -3.82 4.33 5.02 -0.13 -4.83 118.16 121.84 1fag n LYS 451 Ca 0.05 -1.35 -0.30 0.00 -2.02 0.00 0.00 58.31 54.69 1fag n LYS 451 Cb 0.37 -1.45 0.02 0.00 -0.02 0.00 0.00 35.03 33.95 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 0.60 -2.10 -4.53 1.97 5.02 -1.26 -5.00 118.16 112.86 1fag n LYS 452 Ca 0.17 0.41 -0.33 0.00 -2.02 0.00 0.00 58.31 56.55 1fag n LYS 452 Cb 0.42 -4.21 -0.16 0.00 -0.02 0.00 0.00 35.03 31.06 1fag n LYS 452 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1fag s ILE 453 N -3.67 2.07 1.11 -0.18 1.01 -1.26 -5.14 121.20 115.14 1fag s ILE 453 Ca 0.27 -0.97 -0.19 0.00 0.00 0.00 0.00 60.65 59.77 1fag s ILE 453 Cb -0.10 -1.84 0.28 0.00 0.01 0.00 0.00 42.46 40.80 1fag s ILE 453 CO 0.88 0.55 1.01 -0.81 0.00 0.00 0.00 174.94 176.56 1fag n PRO 454 N 4.20 -2.88 0.00 2.79 -0.04 -1.26 -4.95 135.00 132.86 1fag n PRO 454 Ca -0.20 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 1fag n PRO 454 Cb 0.51 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1fag n PRO 454 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93