#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 4.27 -0.13 12.58 1.09 -1.26 -3.50 121.20 134.25 1fag s ILE 2 Ca 0.00 -1.60 -0.06 0.00 -1.10 0.00 0.00 60.65 57.89 1fag s ILE 2 Cb 0.00 -3.72 -0.04 0.00 -1.06 0.00 0.00 42.46 37.64 1fag s ILE 2 CO 0.00 -0.66 0.10 -0.54 -0.10 0.00 0.00 174.94 173.73 1fag s LYS 3 N 1.40 3.50 0.01 2.79 -0.14 -0.29 -5.06 119.74 121.95 1fag s LYS 3 Ca 0.04 -0.23 -0.25 0.00 -1.36 0.00 0.00 55.97 54.17 1fag s LYS 3 Cb -0.25 -3.13 -0.05 0.00 -1.68 0.00 0.00 37.83 32.72 1fag s LYS 3 CO 0.01 0.64 0.77 -2.00 -0.76 0.00 0.00 175.35 174.00 1fag s GLU 4 N -0.64 4.48 -0.10 1.68 2.12 -1.26 -4.61 118.70 120.36 1fag s GLU 4 Ca 0.12 1.05 -0.29 0.00 0.36 0.00 0.00 54.97 56.20 1fag s GLU 4 Cb -0.12 -3.40 -0.06 0.00 0.26 0.00 0.00 34.13 30.82 1fag s GLU 4 CO 0.02 0.18 1.86 1.41 -0.54 0.00 0.00 175.26 178.20 1fag s MET 5 N 0.31 3.84 0.43 4.30 -2.45 -1.26 -4.98 119.30 119.49 1fag s MET 5 Ca 0.40 2.15 -0.22 0.00 -1.25 0.00 0.00 55.69 56.77 1fag s MET 5 Cb -0.20 -4.14 -0.10 0.00 1.25 0.00 0.00 34.83 31.65 1fag s MET 5 CO 0.22 -1.27 0.99 -1.25 1.05 0.00 0.00 175.02 174.76 1fag s PRO 6 N 4.83 4.15 -0.03 4.11 0.04 -1.26 -4.74 135.00 142.10 1fag s PRO 6 Ca 0.83 1.27 -0.21 0.00 0.04 0.00 0.00 61.00 62.93 1fag s PRO 6 Cb -0.34 -2.29 0.04 0.00 0.04 0.00 0.00 34.50 31.95 1fag s PRO 6 CO 0.35 -0.11 0.46 1.14 0.04 0.00 0.00 177.00 178.87 1fag s GLN 7 N -2.95 0.82 1.32 4.56 -2.07 -1.26 -0.48 119.66 119.60 1fag s GLN 7 Ca 0.61 -0.01 -0.18 0.00 -1.82 0.00 0.00 55.36 53.96 1fag s GLN 7 Cb -0.14 0.38 0.34 0.00 -1.09 0.00 0.00 33.01 32.50 1fag s GLN 7 CO 0.18 -0.24 0.96 -1.25 -1.32 0.00 0.00 175.29 173.63 1fag s PRO 8 N -1.26 -2.18 0.50 9.60 0.04 -1.26 -4.94 135.00 135.50 1fag s PRO 8 Ca -0.12 0.45 -0.22 0.00 0.04 0.00 0.00 61.00 61.15 1fag s PRO 8 Cb -0.03 -1.44 -0.08 0.00 0.04 0.00 0.00 34.50 32.99 1fag s PRO 8 CO 0.07 -4.46 0.97 0.36 0.04 0.00 0.00 177.00 173.98 1fag n LYS 9 N -5.38 1.16 -4.48 4.56 2.85 -1.26 -4.91 118.16 110.69 1fag n LYS 9 Ca 0.08 0.43 -0.29 0.00 -1.05 0.00 0.00 58.31 57.47 1fag n LYS 9 Cb 0.57 -2.09 -0.13 0.00 -0.65 0.00 0.00 35.03 32.73 1fag n LYS 9 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1fag s THR 10 N -1.40 2.46 -0.63 0.58 -4.23 -1.26 -4.26 115.64 106.90 1fag s THR 10 Ca 0.68 -1.56 0.06 0.00 -1.18 0.00 0.00 61.69 59.69 1fag s THR 10 Cb -0.49 -2.08 0.26 0.00 1.34 0.00 0.00 72.50 71.53 1fag s THR 10 CO 0.53 0.17 0.77 0.49 -0.54 0.00 0.00 174.62 176.04 1fag n PHE 11 N 1.10 3.71 -3.29 3.99 3.01 0.74 -4.91 117.46 121.81 1fag n PHE 11 Ca -0.17 -4.14 0.00 0.00 1.01 0.00 0.00 57.45 54.15 1fag n PHE 11 Cb 0.53 -0.55 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 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 0.73 2.78 0.38 1.37 0.00 -1.26 -1.52 105.19 107.66 1fag n GLY 12 Ca 0.30 -0.30 0.20 0.00 0.00 0.00 0.00 46.02 46.22 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 0.12 114.58 118.38 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 -1.70 -3.38 115.31 113.29 1fag h LEU 14 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1fag h LEU 14 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 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 -2.56 0.00 -0.01 1.13 4.76 0.41 -1.56 118.16 120.34 1fag n LYS 15 Ca 0.04 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.61 1fag n LYS 15 Cb 0.38 0.00 0.38 0.00 -1.84 0.00 0.00 35.03 33.95 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 4.43 2.02 -0.22 4.39 4.13 0.40 -0.19 115.26 130.22 1fag n ASN 16 Ca 0.00 -1.68 -0.02 0.00 1.68 0.00 0.00 54.58 54.56 1fag n ASN 16 Cb 0.00 -0.01 0.05 0.00 -1.54 0.00 0.00 39.78 38.28 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 -0.87 -2.08 3.41 5.85 -1.39 -0.39 115.31 122.98 1fag h LEU 17 Ca 0.00 0.22 0.09 0.00 0.84 0.00 0.00 57.88 59.03 1fag h LEU 17 Cb 0.67 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1fag h LEU 17 CO 0.00 -0.26 0.34 -0.65 -0.34 0.00 0.00 178.44 177.53 1fag h PRO 18 N -0.07 0.00 0.00 5.25 0.11 -1.79 0.81 132.00 136.31 1fag h PRO 18 Ca 0.29 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.37 1fag h PRO 18 Cb 0.53 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1fag h PRO 18 CO -0.70 0.00 -0.16 -0.07 -0.21 0.00 0.00 178.00 176.86 1fag h LEU 19 N 0.00 0.00 -1.50 2.35 3.38 -1.39 -2.43 115.31 115.72 1fag h LEU 19 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1fag h LEU 19 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1fag h LEU 19 CO -0.00 0.16 0.00 -0.11 0.09 0.00 0.00 178.44 178.58 1fag n LEU 20 N -3.72 2.25 -4.56 1.67 7.94 0.28 -4.79 117.00 116.07 1fag n LEU 20 Ca -0.02 -0.94 -0.41 0.00 -1.11 0.00 0.00 56.01 53.53 1fag n LEU 20 Cb 0.27 -0.14 -0.03 0.00 0.53 0.00 0.00 43.42 44.05 1fag n LEU 20 CO 0.32 0.47 1.39 0.21 -1.11 0.00 0.00 177.39 178.67 1fag s ASN 21 N -1.56 6.41 0.15 1.96 3.84 -0.92 -4.78 114.94 120.05 1fag s ASN 21 Ca 0.34 -1.19 -0.25 0.00 0.21 0.00 0.00 52.86 51.97 1fag s ASN 21 Cb 0.19 -2.56 0.06 0.00 -0.55 0.00 0.00 41.25 38.39 1fag s ASN 21 CO 0.28 -1.59 0.88 0.28 -2.79 0.00 0.00 177.10 174.16 1fag s THR 22 N 5.15 0.00 -0.94 -5.21 -1.32 -1.26 -5.01 115.64 107.06 1fag s THR 22 Ca 0.43 -0.56 0.27 0.00 -1.21 0.00 0.00 61.69 60.62 1fag s THR 22 Cb -0.02 -1.75 0.19 0.00 -1.51 0.00 0.00 72.50 69.40 1fag s THR 22 CO -0.03 0.00 1.76 0.47 -2.21 0.00 0.00 174.62 174.61 1fag n ASP 23 N -0.42 0.27 -3.32 8.08 8.00 -1.26 -4.24 116.55 123.66 1fag n ASP 23 Ca -0.07 0.33 -0.25 0.00 0.71 0.00 0.00 54.79 55.51 1fag n ASP 23 Cb 0.61 -0.34 -0.08 0.00 -0.02 0.00 0.00 41.12 41.28 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 -1.65 1.19 -0.10 -1.24 5.02 -1.26 -4.17 118.16 115.94 1fag n LYS 24 Ca 0.06 -3.67 -0.10 0.00 -2.02 0.00 0.00 58.31 52.58 1fag n LYS 24 Cb 0.36 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 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 4.35 0.48 -0.10 1.97 0.13 -1.88 -2.26 132.00 134.70 1fag h PRO 25 Ca 0.14 -0.11 0.04 0.00 -0.87 0.00 0.00 66.00 65.20 1fag h PRO 25 Cb 0.82 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 31.83 1fag h PRO 25 CO 0.56 0.55 -0.24 0.28 -0.23 0.00 0.00 178.00 178.92 1fag h VAL 26 N 0.33 0.43 0.00 1.56 2.07 -1.95 0.20 116.25 118.89 1fag h VAL 26 Ca 0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1fag h VAL 26 Cb 0.28 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1fag h VAL 26 CO -0.00 0.00 -0.03 1.56 0.02 0.00 0.00 177.57 179.12 1fag h GLN 27 N -0.32 0.00 -0.08 1.57 4.20 -1.98 0.19 115.11 118.69 1fag h GLN 27 Ca 0.09 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.60 1fag h GLN 27 Cb 0.46 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.25 1fag h GLN 27 CO -0.28 0.03 -0.73 0.00 -0.67 0.00 0.00 178.83 177.18 1fag h ALA 28 N 1.97 0.20 -0.43 3.87 0.00 -0.33 -2.47 119.26 122.07 1fag h ALA 28 Ca -0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 1fag h ALA 28 Cb 0.07 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1fag h ALA 28 CO 0.00 0.54 -0.12 -0.07 0.00 0.00 0.00 179.25 179.61 1fag h LEU 29 N 0.29 0.77 -0.52 0.00 3.38 0.65 -1.51 115.31 118.36 1fag h LEU 29 Ca -0.07 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.71 1fag h LEU 29 Cb 1.38 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1fag h LEU 29 CO 0.15 0.91 0.28 0.24 0.09 0.00 0.00 178.44 180.11 1fag h MET 30 N 0.70 0.53 -0.35 1.13 2.86 -0.60 0.40 114.93 119.60 1fag h MET 30 Ca 0.12 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1fag h MET 30 Cb 0.60 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1fag h MET 30 CO 0.04 0.35 0.21 -0.22 1.06 0.00 0.00 176.91 178.35 1fag h LYS 31 N 0.55 0.47 -0.80 1.72 3.64 -1.01 0.19 116.57 121.33 1fag h LYS 31 Ca 0.22 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1fag h LYS 31 Cb 0.10 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 1fag h LYS 31 CO -0.14 0.35 0.42 0.82 -2.27 0.00 0.00 179.45 178.64 1fag h ILE 32 N 0.46 1.24 -0.43 2.00 2.04 -0.47 0.44 117.51 122.78 1fag h ILE 32 Ca 0.13 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 1fag h ILE 32 Cb -0.00 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 1fag h ILE 32 CO -0.02 0.27 0.19 0.00 0.00 0.00 0.00 178.15 178.59 1fag h ALA 33 N 1.34 0.55 -0.63 1.87 0.00 0.44 0.52 119.26 123.36 1fag h ALA 33 Ca 0.28 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1fag h ALA 33 Cb 0.05 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 1fag h ALA 33 CO -0.04 0.14 0.25 -0.44 0.00 0.00 0.00 179.25 179.15 1fag h ASP 34 N 0.55 0.25 0.90 0.00 3.32 0.97 0.86 116.42 123.27 1fag h ASP 34 Ca 0.15 0.08 -0.21 0.00 0.02 0.00 0.00 57.03 57.07 1fag h ASP 34 Cb 0.16 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1fag h ASP 34 CO -0.02 0.15 -0.97 -0.33 -1.72 0.00 0.00 179.24 176.35 1fag h GLU 35 N 0.43 0.03 0.00 3.56 5.08 -0.42 -3.37 114.58 119.90 1fag h GLU 35 Ca 0.32 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1fag h GLU 35 Cb 0.40 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1fag h GLU 35 CO -0.31 0.97 -1.53 1.28 -1.00 0.00 0.00 179.01 178.42 1fag n LEU 36 N -3.43 0.21 0.00 1.33 4.77 0.18 -5.09 117.00 114.96 1fag n LEU 36 Ca -0.01 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1fag n LEU 36 Cb 0.90 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1fag n LEU 36 CO 0.47 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1fag n GLY 37 N 1.49 -1.52 0.47 -0.72 0.00 0.29 -4.61 105.19 100.58 1fag n GLY 37 Ca -0.02 -2.06 0.28 0.00 0.00 0.00 0.00 46.02 44.23 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 0.27 0.00 -2.02 1.61 4.11 -1.94 -3.42 114.58 113.18 1fag h GLU 38 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1fag h GLU 38 Cb 0.00 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.05 1fag h GLU 38 CO 0.00 0.00 0.14 -1.50 0.07 0.00 0.00 179.01 177.72 1fag s ILE 39 N -4.89 0.00 0.01 -1.06 2.07 -1.26 -0.28 121.20 115.79 1fag s ILE 39 Ca -0.05 -0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 58.97 1fag s ILE 39 Cb 0.20 -0.99 0.05 0.00 0.13 0.00 0.00 42.46 41.85 1fag s ILE 39 CO 0.73 -0.00 0.49 0.72 -1.91 0.00 0.00 174.94 174.97 1fag s PHE 40 N -0.20 -0.40 -0.06 3.50 -0.12 -0.96 -4.58 117.98 115.16 1fag s PHE 40 Ca -0.04 0.54 -0.20 0.00 -0.05 0.00 0.00 56.93 57.18 1fag s PHE 40 Cb -0.03 0.28 -0.05 0.00 -0.63 0.00 0.00 43.02 42.59 1fag s PHE 40 CO 0.04 -0.57 0.57 0.21 -0.05 0.00 0.00 175.22 175.42 1fag s LYS 41 N -1.90 4.33 -0.30 1.99 2.20 0.36 -0.98 119.74 125.44 1fag s LYS 41 Ca -0.08 0.65 0.02 0.00 -0.36 0.00 0.00 55.97 56.19 1fag s LYS 41 Cb -0.02 -3.39 0.07 0.00 -1.51 0.00 0.00 37.83 32.98 1fag s LYS 41 CO 0.02 0.24 -0.02 0.12 -0.36 0.00 0.00 175.35 175.35 1fag s PHE 42 N 0.28 3.42 -0.15 4.03 5.36 0.63 -4.23 117.98 127.31 1fag s PHE 42 Ca 0.30 -2.40 -0.08 0.00 -0.96 0.00 0.00 56.93 53.79 1fag s PHE 42 Cb -0.17 -2.32 -0.04 0.00 -0.34 0.00 0.00 43.02 40.15 1fag s PHE 42 CO 0.15 -0.89 0.13 -2.00 -1.46 0.00 0.00 175.22 171.15 1fag s GLU 43 N 1.09 3.71 0.08 10.12 2.12 -1.26 -1.66 118.70 132.90 1fag s GLU 43 Ca -0.02 -0.17 -0.00 0.00 0.36 0.00 0.00 54.97 55.13 1fag s GLU 43 Cb -0.20 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 1fag s GLU 43 CO -0.05 0.59 -0.01 0.00 -0.54 0.00 0.00 175.26 175.25 1fag s ALA 44 N -0.49 0.71 0.08 6.30 0.00 -0.95 -0.45 121.76 126.95 1fag s ALA 44 Ca 0.12 -1.32 -0.33 0.00 0.00 0.00 0.00 51.96 50.44 1fag s ALA 44 Cb -0.12 0.42 -0.12 0.00 0.00 0.00 0.00 23.12 23.30 1fag s ALA 44 CO 0.02 -0.38 1.77 -2.30 0.00 0.00 0.00 175.76 174.87 1fag n PRO 45 N 0.02 2.43 0.00 0.00 -0.02 -1.26 -3.36 135.00 132.81 1fag n PRO 45 Ca -0.11 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1fag n PRO 45 Cb 0.62 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 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 4.02 2.16 3.79 -1.23 0.00 -1.26 -4.96 105.19 107.72 1fag n GLY 46 Ca 0.19 -0.29 -0.32 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 2.98 -0.22 1.61 1.70 -1.21 -5.07 118.95 118.74 1fag s ARG 47 Ca 0.00 1.19 -0.11 0.00 -0.47 0.00 0.00 55.73 56.34 1fag s ARG 47 Cb 0.00 -1.99 0.08 0.00 -0.57 0.00 0.00 34.95 32.47 1fag s ARG 47 CO 0.00 -1.08 0.51 0.54 -1.08 0.00 0.00 175.30 174.18 1fag s VAL 48 N -2.61 -0.21 0.19 4.99 0.11 -1.26 -2.24 120.40 119.36 1fag s VAL 48 Ca 0.63 0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 59.71 1fag s VAL 48 Cb -0.17 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1fag s VAL 48 CO 0.44 0.03 0.20 0.28 -3.33 0.00 0.00 175.10 172.73 1fag s THR 49 N 1.81 0.03 -0.13 5.04 -1.32 -0.67 -4.55 115.64 115.86 1fag s THR 49 Ca -0.08 -1.77 0.02 0.00 -1.21 0.00 0.00 61.69 58.66 1fag s THR 49 Cb -0.08 -2.23 0.01 0.00 -1.51 0.00 0.00 72.50 68.69 1fag s THR 49 CO -0.15 -0.16 -0.21 -0.13 -2.21 0.00 0.00 174.62 171.76 1fag s ARG 50 N -4.08 2.86 -0.26 7.08 0.52 -1.12 -0.27 118.95 123.69 1fag s ARG 50 Ca 0.29 -0.80 -0.16 0.00 -0.52 0.00 0.00 55.73 54.54 1fag s ARG 50 Cb 0.05 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 1fag s ARG 50 CO 0.07 -0.01 0.43 0.71 0.02 0.00 0.00 175.30 176.52 1fag s TYR 51 N 0.82 3.26 -0.09 -0.53 1.51 -0.16 0.11 117.35 122.26 1fag s TYR 51 Ca -0.08 0.51 -0.05 0.00 -1.01 0.00 0.00 57.07 56.44 1fag s TYR 51 Cb -0.16 -2.63 -0.04 0.00 -0.11 0.00 0.00 41.96 39.02 1fag s TYR 51 CO -0.01 -0.24 0.12 -0.51 -1.11 0.00 0.00 175.55 173.80 1fag s LEU 52 N 2.15 4.25 0.00 -1.29 1.02 0.12 -2.27 118.68 122.65 1fag s LEU 52 Ca 0.18 0.39 0.00 0.00 0.02 0.00 0.00 54.13 54.72 1fag s LEU 52 Cb -0.16 -2.11 0.00 0.00 0.02 0.00 0.00 46.19 43.94 1fag s LEU 52 CO 0.10 0.38 0.00 -1.20 0.02 0.00 0.00 176.35 175.64 1fag n SER 53 N 1.83 3.63 -4.76 2.29 7.64 0.62 -1.70 113.62 123.17 1fag n SER 53 Ca -0.18 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.31 1fag n SER 53 Cb 0.54 0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.80 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 -3.53 7.56 0.26 6.43 1.04 -1.20 -3.02 113.70 121.24 1fag s SER 54 Ca 0.00 1.93 -0.03 0.00 0.48 0.00 0.00 55.95 58.33 1fag s SER 54 Cb 0.00 -2.60 0.39 0.00 0.10 0.00 0.00 66.02 63.91 1fag s SER 54 CO 0.00 0.09 1.88 -0.61 0.98 0.00 0.00 173.24 175.58 1fag h GLN 55 N 3.89 1.11 -0.02 4.02 -0.00 -1.87 0.50 115.11 122.75 1fag h GLN 55 Ca -0.45 -0.07 0.01 0.00 -0.00 0.00 0.00 58.65 58.13 1fag h GLN 55 Cb 1.20 -0.25 -0.00 0.00 0.00 0.00 0.00 27.48 28.43 1fag h GLN 55 CO 0.67 0.74 0.03 0.07 0.00 0.00 0.00 178.83 180.34 1fag h ARG 56 N 1.15 0.00 0.05 1.69 0.11 -1.93 0.27 114.38 115.71 1fag h ARG 56 Ca 0.42 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 60.12 1fag h ARG 56 Cb 0.16 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.19 1fag h ARG 56 CO -0.17 0.00 -2.29 1.28 0.10 0.00 0.00 179.97 178.89 1fag n LEU 57 N -3.61 2.80 -0.01 0.08 4.77 -0.34 -4.20 117.00 116.48 1fag n LEU 57 Ca -0.03 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 1fag n LEU 57 Cb 0.11 -0.96 -0.04 0.00 -2.33 0.00 0.00 43.42 40.20 1fag n LEU 57 CO 0.25 0.90 0.87 0.40 -1.33 0.00 0.00 177.39 178.48 1fag h ILE 58 N 0.03 0.91 -0.66 -0.08 1.08 -0.33 -0.68 117.51 117.78 1fag h ILE 58 Ca -0.52 -0.02 0.19 0.00 -0.39 0.00 0.00 64.86 64.13 1fag h ILE 58 Cb 1.96 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 36.54 1fag h ILE 58 CO -0.02 0.01 0.51 0.07 -0.69 0.00 0.00 178.15 178.03 1fag h LYS 59 N 0.05 0.00 0.04 2.37 2.10 -0.69 0.34 116.57 120.78 1fag h LYS 59 Ca 0.06 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.66 1fag h LYS 59 Cb 0.07 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.41 1fag h LYS 59 CO -0.10 0.00 -0.24 0.93 -2.00 0.00 0.00 179.45 178.04 1fag h GLU 60 N 0.00 0.09 -0.28 0.07 5.08 -1.46 -3.20 114.58 114.88 1fag h GLU 60 Ca 0.31 -0.15 0.08 0.00 -1.00 0.00 0.00 59.36 58.60 1fag h GLU 60 Cb 1.34 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 1fag h GLU 60 CO -0.00 1.05 0.24 0.00 -1.00 0.00 0.00 179.01 179.30 1fag h ALA 61 N 0.05 2.11 -0.31 3.43 0.00 0.54 -1.29 119.26 123.79 1fag h ALA 61 Ca -0.04 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1fag h ALA 61 Cb 1.17 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 1fag h ALA 61 CO 0.04 -0.38 0.21 0.00 0.00 0.00 0.00 179.25 179.12 1fag s ASP 63 N 0.28 4.77 0.46 0.00 -4.77 -0.49 -4.94 116.67 111.98 1fag s ASP 63 Ca 0.18 -1.65 0.32 0.00 -3.30 0.00 0.00 52.55 48.09 1fag s ASP 63 Cb 0.15 -1.66 1.43 0.00 -1.09 0.00 0.00 42.92 41.75 1fag s ASP 63 CO 0.03 -0.31 1.66 -0.33 0.70 0.00 0.00 175.17 176.93 1fag h GLU 64 N 7.83 0.11 0.00 2.11 3.07 -1.84 0.15 114.58 126.01 1fag h GLU 64 Ca -0.15 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.69 1fag h GLU 64 Cb 1.04 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1fag h GLU 64 CO 0.53 0.07 -0.06 0.66 -1.40 0.00 0.00 179.01 178.82 1fag h SER 65 N 0.11 0.00 0.00 1.42 4.64 -1.97 -3.24 113.55 114.52 1fag h SER 65 Ca 0.77 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.98 1fag h SER 65 Cb 2.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.59 1fag h SER 65 CO -0.30 0.06 -1.51 0.54 -0.87 0.00 0.00 176.83 174.74 1fag n ARG 66 N -3.95 2.13 -4.23 4.77 1.74 0.38 -4.92 116.66 112.58 1fag n ARG 66 Ca -0.03 -0.02 -0.19 0.00 -0.77 0.00 0.00 57.85 56.84 1fag n ARG 66 Cb 0.15 -1.21 -0.16 0.00 -1.02 0.00 0.00 32.46 30.23 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 -2.29 0.72 0.29 -1.55 0.08 -0.35 0.07 117.98 114.95 1fag s PHE 67 Ca -0.04 -0.17 0.11 0.00 0.12 0.00 0.00 56.93 56.95 1fag s PHE 67 Cb 0.03 -0.56 -0.05 0.00 -0.57 0.00 0.00 43.02 41.87 1fag s PHE 67 CO 0.33 -0.11 -0.11 0.34 -0.10 0.00 0.00 175.22 175.57 1fag s ASP 68 N 0.41 3.94 0.22 1.36 2.15 -1.16 -3.83 116.67 119.76 1fag s ASP 68 Ca -0.05 -0.92 -0.32 0.00 0.43 0.00 0.00 52.55 51.69 1fag s ASP 68 Cb -0.09 -0.49 -0.12 0.00 -0.30 0.00 0.00 42.92 41.92 1fag s ASP 68 CO 0.00 -0.01 1.70 -0.75 -0.17 0.00 0.00 175.17 175.93 1fag s LYS 69 N -3.59 4.13 0.04 4.34 2.20 -1.26 -1.73 119.74 123.87 1fag s LYS 69 Ca 0.31 2.59 0.05 0.00 -0.36 0.00 0.00 55.97 58.56 1fag s LYS 69 Cb -0.04 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 1fag s LYS 69 CO 0.17 -0.73 -0.08 1.21 -0.36 0.00 0.00 175.35 175.57 1fag s ASN 70 N 1.08 4.55 -0.63 1.43 2.47 0.20 -4.67 114.94 119.37 1fag s ASN 70 Ca 0.73 -0.23 -0.25 0.00 0.42 0.00 0.00 52.86 53.53 1fag s ASN 70 Cb -0.49 -1.00 0.04 0.00 -1.45 0.00 0.00 41.25 38.35 1fag s ASN 70 CO 0.34 0.24 1.09 -0.76 -3.72 0.00 0.00 177.10 174.29 1fag s LEU 71 N -1.69 3.78 0.77 3.21 1.02 -1.26 -4.22 118.68 120.28 1fag s LEU 71 Ca 0.19 -0.42 -0.13 0.00 0.02 0.00 0.00 54.13 53.79 1fag s LEU 71 Cb -0.11 -2.74 0.06 0.00 0.02 0.00 0.00 46.19 43.42 1fag s LEU 71 CO 0.10 -1.49 1.17 -0.94 0.02 0.00 0.00 176.35 175.21 1fag s SER 72 N 3.28 4.02 0.37 2.29 1.04 -1.26 -4.65 113.70 118.79 1fag s SER 72 Ca 0.33 2.23 0.15 0.00 0.48 0.00 0.00 55.95 59.13 1fag s SER 72 Cb -0.11 -2.57 1.00 0.00 0.10 0.00 0.00 66.02 64.43 1fag s SER 72 CO 0.17 -2.37 1.77 -0.61 0.98 0.00 0.00 173.24 173.18 1fag h GLN 73 N -0.71 0.48 0.46 4.02 5.75 -1.99 0.13 115.11 123.25 1fag h GLN 73 Ca -0.46 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1fag h GLN 73 Cb 1.28 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.70 1fag h GLN 73 CO 0.48 0.32 -0.45 0.00 -2.65 0.00 0.00 178.83 176.53 1fag h ALA 74 N 1.65 -1.12 -0.50 3.38 0.00 -1.92 -2.18 119.26 118.57 1fag h ALA 74 Ca 0.60 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.40 1fag h ALA 74 Cb 1.33 0.68 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 1fag h ALA 74 CO -0.34 -1.14 0.34 -0.07 0.00 0.00 0.00 179.25 178.04 1fag h LEU 75 N -0.90 0.34 -0.53 0.00 3.38 -1.20 -1.75 115.31 114.66 1fag h LEU 75 Ca -0.06 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1fag h LEU 75 Cb 0.78 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1fag h LEU 75 CO -0.05 0.22 0.32 0.11 0.09 0.00 0.00 178.44 179.13 1fag h LYS 76 N 0.39 0.63 -0.27 1.13 1.79 -0.28 0.09 116.57 120.05 1fag h LYS 76 Ca 0.22 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.51 1fag h LYS 76 Cb 0.38 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1fag h LYS 76 CO -0.06 0.42 -0.42 0.74 -1.08 0.00 0.00 179.45 179.05 1fag h PHE 77 N 0.65 0.79 0.00 -1.35 0.04 -0.75 -2.86 116.94 113.45 1fag h PHE 77 Ca 0.21 -0.24 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 1fag h PHE 77 Cb -0.01 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 37.98 1fag h PHE 77 CO -0.06 0.96 -0.11 0.28 -0.60 0.00 0.00 178.31 178.78 1fag h VAL 78 N 0.53 0.44 0.00 -0.55 2.07 -0.71 -1.92 116.25 116.11 1fag h VAL 78 Ca 0.04 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1fag h VAL 78 Cb 0.95 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1fag h VAL 78 CO 0.09 0.11 -0.16 -0.09 0.02 0.00 0.00 177.57 177.54 1fag h ARG 79 N 0.00 0.00 -0.36 1.57 2.43 -0.75 -0.19 114.38 117.07 1fag h ARG 79 Ca -0.00 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1fag h ARG 79 Cb 0.41 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1fag h ARG 79 CO 0.01 0.16 0.52 -0.44 -1.51 0.00 0.00 179.97 178.72 1fag h ASP 80 N 0.00 0.00 0.00 -3.80 3.32 -1.45 0.99 116.42 115.48 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 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1fag h ASP 80 CO 0.02 0.00 -0.74 2.22 -1.72 0.00 0.00 179.24 179.02 1fag n PHE 81 N -3.41 0.00 1.09 4.55 -1.74 -0.93 -4.72 117.46 112.29 1fag n PHE 81 Ca 0.06 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.07 1fag n PHE 81 Cb 0.67 0.00 0.15 0.00 1.52 0.00 0.00 39.48 41.83 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 -1.27 3.54 -0.17 1.98 0.00 -0.13 -4.89 120.51 119.56 1fag n ALA 82 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1fag n ALA 82 Cb 0.12 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1fag n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fag n GLY 83 N 1.41 2.15 2.70 0.00 0.00 0.34 -2.10 105.19 109.68 1fag n GLY 83 Ca 0.09 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 0.14 7.34 -4.87 1.61 5.68 -1.26 -4.34 116.55 120.85 1fag n ASP 84 Ca 0.00 -3.82 -0.30 0.00 -0.50 0.00 0.00 54.79 50.17 1fag n ASP 84 Cb 0.00 -0.99 0.05 0.00 -1.14 0.00 0.00 41.12 39.04 1fag n ASP 84 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1fag s GLY 85 N -1.52 1.63 0.12 6.12 0.00 -0.89 -4.58 107.32 108.19 1fag s GLY 85 Ca 0.56 -0.30 -0.23 0.00 0.00 0.00 0.00 44.72 44.74 1fag s GLY 85 CO -0.27 0.06 1.16 1.04 0.00 0.00 0.00 173.10 175.09 1fag n LEU 86 N -3.03 -0.79 -0.33 0.66 4.32 -1.26 -0.67 117.00 115.90 1fag n LEU 86 Ca 0.07 1.34 0.06 0.00 -0.02 0.00 0.00 56.01 57.45 1fag n LEU 86 Cb 0.57 -0.17 0.24 0.00 -1.62 0.00 0.00 43.42 42.44 1fag n LEU 86 CO 0.57 -1.09 1.25 0.15 -1.22 0.00 0.00 177.39 177.05 1fag h PHE 87 N 0.00 1.08 -0.11 -1.77 3.04 -1.95 -3.10 116.94 114.13 1fag h PHE 87 Ca 0.12 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1fag h PHE 87 Cb 0.31 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.47 1fag h PHE 87 CO -0.77 0.51 0.00 0.25 -2.02 0.00 0.00 178.31 176.27 1fag n THR 88 N -4.54 0.14 -3.71 4.41 -2.24 0.16 -4.98 114.28 103.52 1fag n THR 88 Ca 0.16 -0.57 -0.32 0.00 -2.27 0.00 0.00 64.05 61.05 1fag n THR 88 Cb 0.27 1.30 -0.05 0.00 -2.10 0.00 0.00 70.33 69.76 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 -1.63 6.49 0.68 3.42 1.04 -0.28 -4.75 113.70 118.67 1fag s SER 89 Ca 0.27 0.57 -0.14 0.00 0.48 0.00 0.00 55.95 57.13 1fag s SER 89 Cb 0.18 -2.08 0.01 0.00 0.10 0.00 0.00 66.02 64.23 1fag s SER 89 CO 0.27 0.13 1.09 0.26 0.98 0.00 0.00 173.24 175.96 1fag s TRP 90 N -1.53 2.70 0.09 5.02 0.52 -1.26 -4.95 118.94 119.53 1fag s TRP 90 Ca 0.36 1.54 -0.23 0.00 0.02 0.00 0.00 56.10 57.79 1fag s TRP 90 Cb -0.13 -3.09 -0.14 0.00 -1.15 0.00 0.00 33.47 28.96 1fag s TRP 90 CO 0.22 -1.60 1.70 1.15 0.02 0.00 0.00 176.95 178.45 1fag h THR 91 N -0.28 1.04 0.00 2.01 2.02 -1.97 -3.00 112.91 112.73 1fag h THR 91 Ca -0.46 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 1fag h THR 91 Cb 1.24 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1fag h THR 91 CO 0.54 0.04 -0.01 0.00 0.37 0.00 0.00 175.52 176.45 1fag n HIS 92 N -5.04 0.00 -4.22 3.16 1.44 -1.26 -4.42 115.22 104.87 1fag n HIS 92 Ca -0.06 -0.78 -0.26 0.00 -2.01 0.00 0.00 57.72 54.61 1fag n HIS 92 Cb 0.05 -0.51 -0.17 0.00 0.12 0.00 0.00 29.99 29.48 1fag n HIS 92 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1fag s GLU 93 N 0.60 1.65 0.37 -1.40 2.12 -1.13 -5.03 118.70 115.88 1fag s GLU 93 Ca 0.04 -0.35 0.18 0.00 0.36 0.00 0.00 54.97 55.21 1fag s GLU 93 Cb 0.02 -1.54 1.16 0.00 0.26 0.00 0.00 34.13 34.04 1fag s GLU 93 CO 0.00 -0.13 1.67 -0.22 -0.54 0.00 0.00 175.26 176.04 1fag h LYS 94 N 7.61 0.28 -0.04 4.30 3.64 -1.89 0.19 116.57 130.66 1fag h LYS 94 Ca -0.31 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 58.98 1fag h LYS 94 Cb 1.16 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1fag h LYS 94 CO 0.45 0.18 -0.29 -0.91 -2.27 0.00 0.00 179.45 176.61 1fag h ASN 95 N 0.29 0.08 0.00 4.20 4.21 -1.93 -2.64 115.58 119.78 1fag h ASN 95 Ca 0.73 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 58.22 1fag h ASN 95 Cb 1.84 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 39.01 1fag h ASN 95 CO -0.52 0.37 0.00 1.87 -1.29 0.00 0.00 177.43 177.86 1fag n TRP 96 N -4.16 0.00 -0.26 1.19 -0.00 0.67 -1.02 117.44 113.86 1fag n TRP 96 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.50 1fag n TRP 96 Cb 0.36 -0.44 0.09 0.00 -0.00 0.00 0.00 31.31 31.32 1fag n TRP 96 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 1fag h LYS 97 N 0.00 0.01 0.17 5.87 1.57 -1.64 0.32 116.57 122.87 1fag h LYS 97 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1fag h LYS 97 Cb 0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1fag h LYS 97 CO 0.00 0.01 -0.33 -0.22 -0.57 0.00 0.00 179.45 178.34 1fag h LYS 98 N 0.01 -0.52 -0.61 3.15 3.64 -1.52 -1.14 116.57 119.58 1fag h LYS 98 Ca 0.36 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.87 1fag h LYS 98 Cb 0.56 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.43 1fag h LYS 98 CO -0.75 -0.35 0.24 0.00 -2.27 0.00 0.00 179.45 176.32 1fag h ALA 99 N -1.05 0.79 -0.19 5.00 0.00 -0.35 0.29 119.26 123.75 1fag h ALA 99 Ca -0.02 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1fag h ALA 99 Cb 0.50 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1fag h ALA 99 CO -0.12 -0.17 -0.41 1.25 0.00 0.00 0.00 179.25 179.79 1fag h HIS 100 N 0.43 -1.18 -0.71 0.00 -0.00 -0.05 0.58 115.15 114.22 1fag h HIS 100 Ca 0.31 0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.69 1fag h HIS 100 Cb 0.36 0.54 -0.03 0.00 -0.00 0.00 0.00 27.41 28.28 1fag h HIS 100 CO -0.16 -0.46 0.31 -0.91 -0.00 0.00 0.00 177.93 176.71 1fag h ASN 101 N -0.45 0.96 -0.46 3.26 2.35 -0.47 0.26 115.58 121.03 1fag h ASN 101 Ca 0.09 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 1fag h ASN 101 Cb 0.61 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1fag h ASN 101 CO -0.43 0.85 0.20 0.40 -1.65 0.00 0.00 177.43 176.80 1fag h ILE 102 N 1.01 1.20 0.01 2.81 2.04 0.18 -3.33 117.51 121.43 1fag h ILE 102 Ca 0.24 -0.60 -0.29 0.00 1.00 0.00 0.00 64.86 65.21 1fag h ILE 102 Cb 0.17 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1fag h ILE 102 CO -0.03 0.23 -1.67 -0.07 0.00 0.00 0.00 178.15 176.61 1fag h LEU 103 N 0.60 0.03 -0.97 1.44 -0.00 0.36 -3.40 115.31 113.37 1fag h LEU 103 Ca 0.16 -0.06 0.32 0.00 -0.00 0.00 0.00 57.88 58.30 1fag h LEU 103 Cb 0.17 -0.01 -0.16 0.00 -0.00 0.00 0.00 40.66 40.65 1fag h LEU 103 CO -0.02 1.05 0.37 0.25 -0.00 0.00 0.00 178.44 180.09 1fag h LEU 104 N 0.00 0.13 -2.00 1.67 5.85 -0.60 0.43 115.31 120.80 1fag h LEU 104 Ca -0.27 0.23 0.15 0.00 0.84 0.00 0.00 57.88 58.83 1fag h LEU 104 Cb 2.00 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 43.29 1fag h LEU 104 CO 0.08 -0.28 0.45 -0.65 -0.34 0.00 0.00 178.44 177.70 1fag h PRO 105 N 0.13 0.00 0.00 5.25 0.11 -1.78 -1.57 132.00 134.15 1fag h PRO 105 Ca 0.70 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.81 1fag h PRO 105 Cb 1.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.74 1fag h PRO 105 CO -0.74 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 177.48 1fag n SER 106 N -4.05 0.00 -2.40 -2.05 7.64 0.14 -2.90 113.62 110.01 1fag n SER 106 Ca 0.10 -0.32 -0.15 0.00 1.01 0.00 0.00 58.87 59.51 1fag n SER 106 Cb 0.67 -0.04 0.03 0.00 -1.01 0.00 0.00 64.21 63.86 1fag n SER 106 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1fag n PHE 107 N -1.04 2.18 -3.63 1.43 3.72 -0.59 -4.79 117.46 114.75 1fag n PHE 107 Ca 0.09 -2.32 -0.27 0.00 -0.05 0.00 0.00 57.45 54.89 1fag n PHE 107 Cb 0.05 -0.28 -0.03 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 -3.63 6.39 0.45 4.37 1.04 -1.14 -4.92 113.70 116.26 1fag s SER 108 Ca 0.41 0.45 0.25 0.00 0.48 0.00 0.00 55.95 57.54 1fag s SER 108 Cb 0.38 -2.03 1.27 0.00 0.10 0.00 0.00 66.02 65.74 1fag s SER 108 CO -0.01 -0.08 1.79 0.06 0.98 0.00 0.00 173.24 175.98 1fag h GLN 109 N 1.89 0.24 -0.15 4.02 3.07 -1.97 0.40 115.11 122.61 1fag h GLN 109 Ca -0.48 -0.01 -0.23 0.00 0.09 0.00 0.00 58.65 58.02 1fag h GLN 109 Cb 1.19 -0.05 0.01 0.00 0.08 0.00 0.00 27.48 28.71 1fag h GLN 109 CO 0.67 0.16 -0.79 1.96 0.09 0.00 0.00 178.83 180.92 1fag h GLN 110 N 0.25 0.80 -0.39 0.06 4.20 -1.96 -2.78 115.11 115.28 1fag h GLN 110 Ca 0.58 -0.66 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1fag h GLN 110 Cb 1.76 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 29.66 1fag h GLN 110 CO -0.20 1.26 0.24 0.00 -0.67 0.00 0.00 178.83 179.47 1fag h ALA 111 N 0.55 0.50 -0.53 3.87 0.00 -0.60 -0.27 119.26 122.79 1fag h ALA 111 Ca -0.06 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.92 1fag h ALA 111 Cb 1.43 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1fag h ALA 111 CO 0.16 -0.01 0.37 0.52 0.00 0.00 0.00 179.25 180.29 1fag h MET 112 N 0.52 0.16 -0.11 0.00 2.86 -1.07 0.61 114.93 117.90 1fag h MET 112 Ca 0.14 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.67 1fag h MET 112 Cb -0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1fag h MET 112 CO -0.03 0.11 -0.38 0.87 1.06 0.00 0.00 176.91 178.54 1fag h LYS 113 N 0.17 0.23 0.12 1.72 1.57 -0.78 -2.12 116.57 117.48 1fag h LYS 113 Ca 0.25 -0.10 -0.27 0.00 -1.87 0.00 0.00 60.65 58.66 1fag h LYS 113 Cb 0.76 -0.01 0.03 0.00 0.08 0.00 0.00 32.23 33.10 1fag h LYS 113 CO -0.04 0.58 -1.13 0.78 -0.57 0.00 0.00 179.45 179.07 1fag h GLY 114 N 1.17 0.63 1.01 3.86 0.00 0.69 -3.33 103.07 107.10 1fag h GLY 114 Ca 0.02 -1.33 -0.04 0.00 0.00 0.00 0.00 47.33 45.98 1fag h GLY 114 CO 0.06 1.17 0.26 -0.97 0.00 0.00 0.00 176.54 177.06 1fag h TYR 115 N 0.13 1.00 -0.76 5.60 0.05 -0.99 -3.28 116.97 118.73 1fag h TYR 115 Ca -0.18 -0.08 0.20 0.00 0.05 0.00 0.00 58.73 58.72 1fag h TYR 115 Cb 1.83 -0.30 -0.14 0.00 1.01 0.00 0.00 36.73 39.13 1fag h TYR 115 CO 0.13 0.79 -0.03 1.58 -1.05 0.00 0.00 178.16 179.57 1fag n HIS 116 N -4.41 0.43 -0.09 4.88 -0.00 -0.80 -0.15 115.22 115.08 1fag n HIS 116 Ca 0.05 0.92 -0.08 0.00 0.46 0.00 0.00 57.72 59.07 1fag n HIS 116 Cb 0.17 -1.04 -0.00 0.00 -0.12 0.00 0.00 29.99 29.00 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 1.52 0.40 -0.58 1.57 0.00 -1.77 -1.78 119.26 118.62 1fag h ALA 117 Ca 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 1fag h ALA 117 Cb 0.85 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1fag h ALA 117 CO -0.73 -0.19 0.23 0.52 0.00 0.00 0.00 179.25 179.07 1fag h MET 118 N 0.36 0.87 -0.76 0.00 2.07 -0.75 -2.52 114.93 114.20 1fag h MET 118 Ca 0.13 -0.16 0.11 0.00 -2.07 0.00 0.00 59.70 57.71 1fag h MET 118 Cb 0.03 -0.14 -0.08 0.00 -1.87 0.00 0.00 31.60 29.54 1fag h MET 118 CO -0.08 0.75 0.38 0.52 1.07 0.00 0.00 176.91 179.55 1fag h MET 119 N 0.80 0.60 -0.12 1.72 2.86 -0.84 0.76 114.93 120.71 1fag h MET 119 Ca 0.19 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.74 1fag h MET 119 Cb 0.21 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1fag h MET 119 CO -0.02 0.40 -0.18 0.28 1.06 0.00 0.00 176.91 178.45 1fag h VAL 120 N 0.62 1.19 -0.37 -2.22 2.07 -0.92 -1.45 116.25 115.18 1fag h VAL 120 Ca 0.39 -0.88 0.08 0.00 0.82 0.00 0.00 66.70 67.10 1fag h VAL 120 Cb 0.46 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 1fag h VAL 120 CO -0.30 0.27 -0.10 -0.78 0.02 0.00 0.00 177.57 176.67 1fag h ASP 121 N 0.18 -0.37 0.19 0.57 1.82 -0.53 0.72 116.42 119.00 1fag h ASP 121 Ca 0.03 0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 1fag h ASP 121 Cb 0.44 0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.69 1fag h ASP 121 CO 0.03 -0.13 -0.09 0.40 -1.61 0.00 0.00 179.24 177.83 1fag h ILE 122 N -0.01 0.87 -0.93 2.25 1.08 -1.34 -2.68 117.51 116.74 1fag h ILE 122 Ca 0.18 -0.94 0.25 0.00 -0.39 0.00 0.00 64.86 63.96 1fag h ILE 122 Cb 0.29 1.37 -0.14 0.00 -3.07 0.00 0.00 36.82 35.27 1fag h ILE 122 CO -0.39 0.19 0.43 0.00 -0.69 0.00 0.00 178.15 177.69 1fag h ALA 123 N -0.16 1.58 -0.15 1.87 0.00 -0.98 0.49 119.26 121.91 1fag h ALA 123 Ca -0.03 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1fag h ALA 123 Cb 0.51 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1fag h ALA 123 CO 0.04 -0.42 0.05 0.28 0.00 0.00 0.00 179.25 179.20 1fag h VAL 124 N 0.36 1.18 -1.01 0.00 2.07 -0.85 -0.62 116.25 117.38 1fag h VAL 124 Ca 0.62 -0.55 0.22 0.00 0.82 0.00 0.00 66.70 67.81 1fag h VAL 124 Cb 1.26 1.26 -0.11 0.00 -1.52 0.00 0.00 31.29 32.18 1fag h VAL 124 CO -0.57 0.17 0.61 1.56 0.02 0.00 0.00 177.57 179.36 1fag h GLN 125 N 0.07 0.61 0.61 1.57 4.20 0.25 0.29 115.11 122.70 1fag h GLN 125 Ca 0.05 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1fag h GLN 125 Cb 0.22 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 27.86 1fag h GLN 125 CO -0.00 0.40 -0.29 1.25 -0.67 0.00 0.00 178.83 179.52 1fag h LEU 126 N 0.63 -0.69 -0.81 1.46 6.46 -0.40 -1.19 115.31 120.77 1fag h LEU 126 Ca 0.60 0.02 0.18 0.00 -0.12 0.00 0.00 57.88 58.56 1fag h LEU 126 Cb 1.12 0.18 -0.11 0.00 -0.73 0.00 0.00 40.66 41.12 1fag h LEU 126 CO -0.39 -0.38 0.29 0.58 -0.62 0.00 0.00 178.44 177.91 1fag h VAL 127 N -1.04 0.53 -0.51 1.05 2.07 -0.21 0.07 116.25 118.21 1fag h VAL 127 Ca -0.08 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1fag h VAL 127 Cb 0.62 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1fag h VAL 127 CO 0.14 0.07 0.32 1.56 0.02 0.00 0.00 177.57 179.68 1fag h GLN 128 N 0.36 0.64 0.28 1.57 1.08 -0.43 0.67 115.11 119.28 1fag h GLN 128 Ca 0.47 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.63 1fag h GLN 128 Cb 0.82 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 1fag h GLN 128 CO -0.50 0.42 -0.21 -0.22 -0.95 0.00 0.00 178.83 177.37 1fag h LYS 129 N 0.66 -0.48 -0.62 1.46 3.64 0.23 0.27 116.57 121.72 1fag h LYS 129 Ca 0.19 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1fag h LYS 129 Cb -0.04 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1fag h LYS 129 CO -0.06 -0.32 0.41 -1.49 -2.27 0.00 0.00 179.45 175.72 1fag h TRP 130 N -0.50 0.78 -0.05 1.91 4.06 -0.63 -1.71 115.95 119.81 1fag h TRP 130 Ca -0.02 0.02 -0.17 0.00 2.06 0.00 0.00 58.89 60.78 1fag h TRP 130 Cb 0.44 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 1fag h TRP 130 CO -0.12 0.50 -0.72 0.93 -3.56 0.00 0.00 178.44 175.47 1fag h GLU 131 N 0.84 0.27 -0.00 0.49 4.39 0.84 -3.00 114.58 118.42 1fag h GLU 131 Ca 0.23 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1fag h GLU 131 Cb -0.09 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1fag h GLU 131 CO -0.05 0.88 -0.02 0.54 -1.16 0.00 0.00 179.01 179.20 1fag n ARG 132 N -3.80 0.83 -1.29 2.33 1.74 0.90 -4.85 116.66 112.52 1fag n ARG 132 Ca -0.03 -0.11 -0.31 0.00 -0.77 0.00 0.00 57.85 56.63 1fag n ARG 132 Cb 0.70 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.73 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 -2.25 2.93 0.28 0.55 1.02 -0.93 -5.06 118.68 115.23 1fag s LEU 133 Ca 0.38 1.75 0.10 0.00 0.02 0.00 0.00 54.13 56.38 1fag s LEU 133 Cb 0.21 -4.43 -0.05 0.00 0.02 0.00 0.00 46.19 41.94 1fag s LEU 133 CO 0.41 -2.06 -0.14 0.54 0.02 0.00 0.00 176.35 175.13 1fag s ASN 134 N -3.45 3.28 0.00 2.29 6.03 -1.26 -5.04 114.94 116.80 1fag s ASN 134 Ca 0.61 -1.10 0.00 0.00 -1.03 0.00 0.00 52.86 51.34 1fag s ASN 134 Cb -0.17 -0.26 0.00 0.00 -3.03 0.00 0.00 41.25 37.79 1fag s ASN 134 CO 0.56 -0.14 0.00 0.00 -2.03 0.00 0.00 177.10 175.49 1fag n ALA 135 N -0.61 0.00 0.06 3.54 0.00 -1.26 -0.06 120.51 122.17 1fag n ALA 135 Ca -0.06 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.59 1fag n ALA 135 Cb 0.62 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.81 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 -4.09 0.00 2.03 -2.05 -3.43 116.42 108.88 1fag h ASP 136 Ca 0.00 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.84 1fag h ASP 136 Cb 0.00 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.51 1fag h ASP 136 CO 0.00 0.00 0.37 -1.61 -1.03 0.00 0.00 179.24 176.97 1fag s GLU 137 N -4.77 3.94 0.23 4.15 2.02 0.91 -5.08 118.70 120.11 1fag s GLU 137 Ca -0.05 1.21 0.01 0.00 0.02 0.00 0.00 54.97 56.17 1fag s GLU 137 Cb 0.17 -2.13 -0.05 0.00 0.10 0.00 0.00 34.13 32.23 1fag s GLU 137 CO 0.62 -0.30 0.07 -3.38 0.02 0.00 0.00 175.26 172.29 1fag s HIS 138 N -2.17 1.45 0.01 1.61 -3.43 -1.26 -4.75 115.29 106.75 1fag s HIS 138 Ca 0.64 -1.13 -0.02 0.00 -0.80 0.00 0.00 55.06 53.75 1fag s HIS 138 Cb -0.13 -0.84 -0.04 0.00 -1.43 0.00 0.00 32.58 30.14 1fag s HIS 138 CO 0.20 -0.29 0.17 0.96 -2.00 0.00 0.00 174.74 173.78 1fag s ILE 139 N -3.72 5.31 -0.46 -5.38 -4.36 0.15 -4.97 121.20 107.77 1fag s ILE 139 Ca 0.34 -0.25 -0.10 0.00 -0.26 0.00 0.00 60.65 60.37 1fag s ILE 139 Cb 0.07 -3.50 0.10 0.00 1.25 0.00 0.00 42.46 40.39 1fag s ILE 139 CO 0.11 0.29 0.33 -1.61 0.24 0.00 0.00 174.94 174.30 1fag s GLU 140 N -2.04 2.59 0.00 0.37 2.02 -1.26 -1.78 118.70 118.61 1fag s GLU 140 Ca 0.28 -1.62 0.00 0.00 0.02 0.00 0.00 54.97 53.65 1fag s GLU 140 Cb -0.13 -3.91 0.00 0.00 0.10 0.00 0.00 34.13 30.19 1fag s GLU 140 CO 0.20 -1.11 0.57 0.28 0.02 0.00 0.00 175.26 175.22 1fag n VAL 141 N 4.96 0.00 0.09 2.63 0.31 -0.44 -1.65 118.33 124.22 1fag n VAL 141 Ca -0.09 1.07 0.19 0.00 -0.01 0.00 0.00 64.34 65.50 1fag n VAL 141 Cb 0.42 -1.73 0.74 0.00 -0.91 0.00 0.00 33.84 32.36 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 0.36 5.55 0.13 -1.85 0.52 132.00 136.71 1fag h PRO 142 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 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 -0.17 0.93 -0.23 0.00 0.00 178.00 178.53 1fag h GLU 143 N 0.00 -0.47 0.00 0.86 3.07 -1.88 0.13 114.58 116.29 1fag h GLU 143 Ca 0.18 0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 59.01 1fag h GLU 143 Cb 0.85 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.86 1fag h GLU 143 CO -0.00 -0.18 -0.29 -0.44 -1.40 0.00 0.00 179.01 176.70 1fag h ASP 144 N -0.73 0.00 0.14 1.42 3.32 -0.35 -1.08 116.42 119.13 1fag h ASP 144 Ca -0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1fag h ASP 144 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1fag h ASP 144 CO 0.08 0.29 -0.07 0.24 -1.72 0.00 0.00 179.24 178.07 1fag h MET 145 N 0.00 -0.18 -0.95 3.56 2.86 -0.74 -1.62 114.93 117.86 1fag h MET 145 Ca -0.00 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.77 1fag h MET 145 Cb 0.68 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.31 1fag h MET 145 CO 0.04 0.24 0.60 1.15 1.06 0.00 0.00 176.91 180.00 1fag h THR 146 N -0.67 0.92 -0.26 2.22 2.02 -0.85 0.12 112.91 116.42 1fag h THR 146 Ca -0.02 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 66.89 1fag h THR 146 Cb 0.50 -0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 1fag h THR 146 CO 0.03 0.17 0.02 -0.09 0.37 0.00 0.00 175.52 176.01 1fag h ARG 147 N 0.91 0.10 0.68 6.66 2.43 -1.03 -1.58 114.38 122.54 1fag h ARG 147 Ca 0.46 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.59 1fag h ARG 147 Cb 0.50 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1fag h ARG 147 CO -0.22 0.07 -0.33 1.25 -1.51 0.00 0.00 179.97 179.23 1fag h LEU 148 N 0.10 -0.77 -0.50 3.80 5.85 0.13 -3.01 115.31 120.91 1fag h LEU 148 Ca 0.12 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.94 1fag h LEU 148 Cb 0.15 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.28 1fag h LEU 148 CO -0.19 -0.44 -0.17 0.71 -0.34 0.00 0.00 178.44 178.01 1fag h THR 149 N -1.09 0.43 -0.44 1.05 1.35 -0.79 -0.30 112.91 113.11 1fag h THR 149 Ca -0.09 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1fag h THR 149 Cb 0.73 0.43 -0.02 0.00 -1.73 0.00 0.00 68.15 67.56 1fag h THR 149 CO 0.15 0.00 0.26 0.25 -0.25 0.00 0.00 175.52 175.93 1fag h LEU 150 N -0.05 0.54 -0.85 3.87 5.85 -1.37 -1.70 115.31 121.59 1fag h LEU 150 Ca 0.24 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1fag h LEU 150 Cb 0.42 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1fag h LEU 150 CO -0.54 0.45 0.54 0.44 -0.34 0.00 0.00 178.44 178.99 1fag h ASP 151 N 0.58 0.90 0.01 1.25 5.19 -1.28 -1.01 116.42 122.07 1fag h ASP 151 Ca 0.16 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1fag h ASP 151 Cb 0.02 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.33 1fag h ASP 151 CO -0.03 0.62 -0.00 0.74 -3.12 0.00 0.00 179.24 177.44 1fag h THR 152 N 1.05 1.15 -0.56 0.35 2.02 -0.49 -1.62 112.91 114.80 1fag h THR 152 Ca 0.34 -0.47 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 1fag h THR 152 Cb 0.02 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1fag h THR 152 CO -0.12 0.12 0.08 -0.29 0.37 0.00 0.00 175.52 175.68 1fag h ILE 153 N -0.21 1.24 -0.30 3.11 6.09 -1.21 -0.68 117.51 125.56 1fag h ILE 153 Ca -0.00 -0.95 0.00 0.00 -1.37 0.00 0.00 64.86 62.54 1fag h ILE 153 Cb 0.21 0.73 -0.01 0.00 0.47 0.00 0.00 36.82 38.21 1fag h ILE 153 CO 0.00 0.35 0.19 1.23 -3.07 0.00 0.00 178.15 176.85 1fag h GLY 154 N 1.00 0.42 0.42 8.18 0.00 -1.02 0.26 103.07 112.34 1fag h GLY 154 Ca 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1fag h GLY 154 CO 0.01 0.16 -0.20 -2.00 0.00 0.00 0.00 176.54 174.51 1fag h LEU 155 N 0.39 -0.48 -0.51 3.11 5.85 -0.94 -0.16 115.31 122.57 1fag h LEU 155 Ca 0.11 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.93 1fag h LEU 155 Cb -0.02 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 1fag h LEU 155 CO -0.02 -0.17 0.11 0.00 -0.34 0.00 0.00 178.44 178.02 1fag n GLY 157 N -1.29 -1.43 0.00 0.00 0.00 0.91 -4.53 105.19 98.86 1fag n GLY 157 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.65 0.00 -3.30 1.61 3.01 -0.63 -1.68 117.46 113.81 1fag n PHE 158 Ca -0.01 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 1fag n PHE 158 Cb 0.56 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.08 1fag n PHE 158 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1fag n ASN 159 N -0.02 -6.08 -4.22 4.37 5.15 0.98 -4.93 115.26 110.51 1fag n ASN 159 Ca 0.00 -0.41 -0.32 0.00 -0.60 0.00 0.00 54.58 53.25 1fag n ASN 159 Cb 0.17 -4.86 -0.17 0.00 -0.53 0.00 0.00 39.78 34.39 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 -3.23 2.54 -0.52 1.20 5.04 -0.50 -4.91 117.35 116.97 1fag s TYR 160 Ca 0.44 -1.03 -0.17 0.00 -2.44 0.00 0.00 57.07 53.87 1fag s TYR 160 Cb -0.20 -1.70 0.10 0.00 0.35 0.00 0.00 41.96 40.52 1fag s TYR 160 CO 0.54 -0.41 0.51 1.03 -1.34 0.00 0.00 175.55 175.88 1fag s ARG 161 N 0.32 3.01 0.59 4.97 0.52 -1.26 -2.41 118.95 124.70 1fag s ARG 161 Ca -0.18 -1.44 0.36 0.00 -0.52 0.00 0.00 55.73 53.95 1fag s ARG 161 Cb -0.18 -4.22 1.87 0.00 0.52 0.00 0.00 34.95 32.94 1fag s ARG 161 CO 0.09 -1.25 2.19 0.74 0.02 0.00 0.00 175.30 177.09 1fag h PHE 162 N 8.90 0.00 -6.23 -0.53 -1.00 -1.90 -3.46 116.94 112.73 1fag h PHE 162 Ca -0.29 0.00 -0.48 0.00 2.81 0.00 0.00 57.97 60.01 1fag h PHE 162 Cb 1.10 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.56 1fag h PHE 162 CO 0.72 0.03 -0.73 0.09 -1.61 0.00 0.00 178.31 176.81 1fag n ASN 163 N -3.30 -4.13 0.07 2.17 4.13 -1.26 -4.85 115.26 108.09 1fag n ASN 163 Ca -0.02 -0.76 0.20 0.00 1.68 0.00 0.00 54.58 55.68 1fag n ASN 163 Cb 0.17 -3.34 0.74 0.00 -1.54 0.00 0.00 39.78 35.81 1fag n ASN 163 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1fag h SER 164 N -1.63 0.00 0.24 6.41 0.02 -1.89 0.25 113.55 116.96 1fag h SER 164 Ca -0.55 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1fag h SER 164 Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1fag h SER 164 CO 0.68 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.86 1fag n PHE 165 N -4.02 0.00 -0.78 3.45 3.72 -1.26 -2.90 117.46 115.67 1fag n PHE 165 Ca 0.08 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.56 1fag n PHE 165 Cb 0.57 -0.13 0.36 0.00 -0.94 0.00 0.00 39.48 39.35 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 -1.13 1.66 -3.74 1.38 4.01 0.08 -4.90 117.16 114.52 1fag n TYR 166 Ca 0.18 -0.69 -0.13 0.00 -0.16 0.00 0.00 57.90 57.10 1fag n TYR 166 Cb 0.16 -0.37 -0.13 0.00 -0.31 0.00 0.00 39.34 38.69 1fag n TYR 166 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1fag s ARG 167 N -2.35 0.18 0.22 -0.72 3.03 -1.14 -5.02 118.95 113.14 1fag s ARG 167 Ca 0.51 0.45 0.14 0.00 2.03 0.00 0.00 55.73 58.86 1fag s ARG 167 Cb 0.36 -0.10 -0.01 0.00 -1.03 0.00 0.00 34.95 34.17 1fag s ARG 167 CO 0.19 -0.14 1.31 0.38 -1.13 0.00 0.00 175.30 175.90 1fag h ASP 168 N 7.02 0.00 -3.28 -2.89 2.03 -1.91 -3.44 116.42 113.94 1fag h ASP 168 Ca -0.39 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.34 1fag h ASP 168 Cb 1.16 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.62 1fag h ASP 168 CO 0.39 0.59 -0.15 -1.10 -1.03 0.00 0.00 179.24 177.95 1fag s GLN 169 N -2.91 3.86 0.64 4.15 -0.21 -1.26 -5.05 119.66 118.89 1fag s GLN 169 Ca 0.02 0.33 -0.18 0.00 0.02 0.00 0.00 55.36 55.55 1fag s GLN 169 Cb 0.08 -2.88 -0.01 0.00 1.00 0.00 0.00 33.01 31.20 1fag s GLN 169 CO 0.77 0.46 1.28 -1.25 -2.12 0.00 0.00 175.29 174.43 1fag s PRO 170 N -2.17 2.58 0.14 2.91 0.04 -1.26 -4.90 135.00 132.33 1fag s PRO 170 Ca 0.39 2.03 -0.31 0.00 0.04 0.00 0.00 61.00 63.15 1fag s PRO 170 Cb -0.14 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 1fag s PRO 170 CO 0.20 -1.57 1.58 -1.58 0.04 0.00 0.00 177.00 175.66 1fag s HIS 171 N -1.43 2.93 0.33 0.56 2.46 -1.26 -4.84 115.29 114.03 1fag s HIS 171 Ca 0.82 0.57 0.11 0.00 0.47 0.00 0.00 55.06 57.03 1fag s HIS 171 Cb -0.37 -3.92 0.99 0.00 -0.13 0.00 0.00 32.58 29.15 1fag s HIS 171 CO 0.39 -3.47 1.65 -1.00 -2.47 0.00 0.00 174.74 169.84 1fag h PRO 172 N 7.15 0.25 -0.74 2.88 0.13 -1.99 0.77 132.00 140.45 1fag h PRO 172 Ca -0.43 -0.02 0.08 0.00 -0.87 0.00 0.00 66.00 64.77 1fag h PRO 172 Cb 1.20 -0.06 -0.07 0.00 0.13 0.00 0.00 31.00 32.21 1fag h PRO 172 CO 0.92 0.17 0.40 0.35 -0.23 0.00 0.00 178.00 179.61 1fag h PHE 173 N 0.26 0.73 -0.06 1.56 3.57 -1.93 -0.09 116.94 120.99 1fag h PHE 173 Ca 0.69 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.21 1fag h PHE 173 Cb 1.53 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 1fag h PHE 173 CO -0.10 0.31 0.03 0.82 -2.23 0.00 0.00 178.31 177.14 1fag h ILE 174 N 0.71 1.10 -0.41 1.41 1.08 0.18 0.32 117.51 121.89 1fag h ILE 174 Ca 0.35 -0.30 0.08 0.00 -0.39 0.00 0.00 64.86 64.60 1fag h ILE 174 Cb 0.29 1.20 -0.07 0.00 -3.07 0.00 0.00 36.82 35.16 1fag h ILE 174 CO -0.23 0.08 -0.06 0.74 -0.69 0.00 0.00 178.15 178.00 1fag h THR 175 N -0.03 0.63 -0.16 -0.27 2.02 -0.80 0.19 112.91 114.49 1fag h THR 175 Ca 0.02 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1fag h THR 175 Cb 0.11 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1fag h THR 175 CO -0.00 0.01 0.01 0.28 0.37 0.00 0.00 175.52 176.19 1fag h SER 176 N 0.05 0.27 -0.00 4.18 0.02 -0.78 -2.42 113.55 114.86 1fag h SER 176 Ca 0.20 -0.29 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1fag h SER 176 Cb 0.30 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 1fag h SER 176 CO -0.39 0.49 -0.24 -0.03 -1.14 0.00 0.00 176.83 175.52 1fag h MET 177 N 0.04 -0.37 -0.85 3.45 -1.53 0.35 0.18 114.93 116.21 1fag h MET 177 Ca 0.05 0.02 0.07 0.00 -3.44 0.00 0.00 59.70 56.40 1fag h MET 177 Cb 0.35 0.08 -0.05 0.00 -0.55 0.00 0.00 31.60 31.42 1fag h MET 177 CO 0.01 -0.24 0.55 -0.39 0.14 0.00 0.00 176.91 176.97 1fag h VAL 178 N -0.38 1.05 -0.39 -5.77 -1.51 -0.65 -1.23 116.25 107.37 1fag h VAL 178 Ca 0.06 -0.32 -0.10 0.00 -1.23 0.00 0.00 66.70 65.11 1fag h VAL 178 Cb 0.46 0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 29.65 1fag h VAL 178 CO -0.22 0.17 -0.16 0.03 -1.23 0.00 0.00 177.57 176.16 1fag h ARG 179 N 0.93 0.79 -0.71 5.19 3.08 -0.76 0.63 114.38 123.53 1fag h ARG 179 Ca 0.36 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1fag h ARG 179 Cb 0.23 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1fag h ARG 179 CO -0.13 0.96 0.39 0.00 -1.07 0.00 0.00 179.97 180.11 1fag h ALA 180 N 0.81 0.91 -0.15 0.04 0.00 0.04 0.21 119.26 121.13 1fag h ALA 180 Ca 0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1fag h ALA 180 Cb 0.71 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1fag h ALA 180 CO 0.05 0.43 -0.07 -0.07 0.00 0.00 0.00 179.25 179.59 1fag h LEU 181 N 0.98 0.32 -1.18 0.00 3.38 -1.17 -0.41 115.31 117.24 1fag h LEU 181 Ca 0.25 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1fag h LEU 181 Cb 0.04 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1fag h LEU 181 CO -0.04 0.65 0.56 -0.78 0.09 0.00 0.00 178.44 178.92 1fag h ASP 182 N -0.02 0.94 -0.21 -0.43 1.82 -0.67 0.15 116.42 118.00 1fag h ASP 182 Ca 0.03 -0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.61 1fag h ASP 182 Cb 0.53 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 1fag h ASP 182 CO 0.02 0.66 -0.04 -0.08 -1.61 0.00 0.00 179.24 178.20 1fag h GLU 183 N 1.10 0.40 -0.69 0.28 4.57 -0.81 0.18 114.58 119.61 1fag h GLU 183 Ca 0.32 -0.15 0.13 0.00 -1.18 0.00 0.00 59.36 58.49 1fag h GLU 183 Cb -0.05 -0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 28.42 1fag h GLU 183 CO -0.08 0.63 0.22 0.00 -1.18 0.00 0.00 179.01 178.59 1fag h ALA 184 N 0.76 0.90 -0.57 2.92 0.00 0.09 0.43 119.26 123.78 1fag h ALA 184 Ca 0.06 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1fag h ALA 184 Cb 0.47 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1fag h ALA 184 CO 0.02 -0.26 0.18 1.98 0.00 0.00 0.00 179.25 181.17 1fag h MET 185 N 0.35 0.89 -0.27 0.00 1.85 -0.27 -2.76 114.93 114.72 1fag h MET 185 Ca 0.37 -0.19 -0.09 0.00 -0.61 0.00 0.00 59.70 59.18 1fag h MET 185 Cb 0.57 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.45 1fag h MET 185 CO -0.41 0.80 -0.22 -0.91 -0.40 0.00 0.00 176.91 175.77 1fag h ASN 186 N 0.81 0.50 -0.52 1.39 2.35 0.79 -2.78 115.58 118.11 1fag h ASN 186 Ca 0.19 -0.16 0.10 0.00 -0.55 0.00 0.00 56.30 55.87 1fag h ASN 186 Cb 0.28 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 1fag h ASN 186 CO -0.01 0.72 0.35 0.11 -1.65 0.00 0.00 177.43 176.96 1fag h LYS 187 N 0.45 0.28 0.00 0.81 1.57 -0.69 -0.63 116.57 118.37 1fag h LYS 187 Ca 0.07 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1fag h LYS 187 Cb 0.63 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1fag h LYS 187 CO 0.04 0.19 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.00 1fag h LEU 188 N 0.29 0.00 -1.23 2.94 3.38 -1.51 -2.13 115.31 117.05 1fag h LEU 188 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1fag h LEU 188 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1fag h LEU 188 CO -0.05 0.04 -0.30 0.00 0.09 0.00 0.00 178.44 178.22 1fag n GLN 189 N -3.47 1.57 -2.46 1.13 6.02 -0.25 -4.96 117.38 114.95 1fag n GLN 189 Ca -0.02 -1.20 -0.43 0.00 -0.01 0.00 0.00 57.00 55.34 1fag n GLN 189 Cb 0.16 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 1fag n GLN 189 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1fag s ARG 190 N -2.14 3.86 0.00 -1.09 0.52 -0.80 -4.87 118.95 114.42 1fag s ARG 190 Ca 0.19 1.09 0.00 0.00 -0.52 0.00 0.00 55.73 56.49 1fag s ARG 190 Cb 0.17 -3.89 0.00 0.00 0.52 0.00 0.00 34.95 31.75 1fag s ARG 190 CO 0.44 -1.20 0.96 0.00 0.02 0.00 0.00 175.30 175.53 1fag n ALA 191 N 7.74 -0.37 -3.96 2.13 0.00 -1.26 -4.37 120.51 120.42 1fag n ALA 191 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.26 1fag n ALA 191 Cb 0.47 0.10 -0.14 0.00 0.00 0.00 0.00 19.45 19.88 1fag n ALA 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fag s ASN 192 N -2.21 4.82 0.34 0.00 4.22 -1.26 -5.00 114.94 115.85 1fag s ASN 192 Ca 0.00 -2.27 0.14 0.00 -2.14 0.00 0.00 52.86 48.59 1fag s ASN 192 Cb 0.00 -1.68 1.05 0.00 1.28 0.00 0.00 41.25 41.91 1fag s ASN 192 CO 0.00 -0.39 1.68 -0.65 -2.04 0.00 0.00 177.10 175.70 1fag h PRO 193 N 7.53 0.37 0.00 3.55 0.11 -1.97 -2.06 132.00 139.53 1fag h PRO 193 Ca -0.06 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 1fag h PRO 193 Cb 1.01 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1fag h PRO 193 CO 0.58 0.25 -0.41 0.22 -0.21 0.00 0.00 178.00 178.42 1fag h ASP 194 N 0.38 0.00 0.00 -2.05 3.58 -1.98 -3.44 116.42 112.91 1fag h ASP 194 Ca 0.71 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.86 1fag h ASP 194 Cb 1.59 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.58 1fag h ASP 194 CO -0.56 0.41 1.08 -0.67 -2.88 0.00 0.00 179.24 176.62 1fag n ASP 195 N -4.00 0.14 0.00 2.28 -0.08 -0.78 -4.58 116.55 109.53 1fag n ASP 195 Ca -0.02 0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1fag n ASP 195 Cb 0.45 -0.55 0.00 0.00 2.34 0.00 0.00 41.12 43.35 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 5.11 0.00 -0.11 -0.67 -0.02 -1.26 -0.88 135.00 137.18 1fag n PRO 196 Ca 0.40 0.02 -0.11 0.00 -2.02 0.00 0.00 63.50 61.79 1fag n PRO 196 Cb 0.02 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 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 0.16 0.42 0.00 3.55 0.00 -1.92 -2.52 119.26 118.95 1fag h ALA 197 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1fag h ALA 197 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1fag h ALA 197 CO 0.00 0.21 0.00 1.88 0.00 0.00 0.00 179.25 181.34 1fag h TYR 198 N 0.35 0.00 -0.78 0.00 0.05 -1.29 -2.88 116.97 112.42 1fag h TYR 198 Ca 0.08 0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.98 1fag h TYR 198 Cb 0.50 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.19 1fag h TYR 198 CO 0.04 0.00 0.51 -0.44 -1.05 0.00 0.00 178.16 177.23 1fag h ASP 199 N 0.00 0.58 -0.44 3.88 5.19 -1.61 0.16 116.42 124.18 1fag h ASP 199 Ca 0.00 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 1fag h ASP 199 Cb 0.12 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 1fag h ASP 199 CO 0.00 0.33 0.17 -0.33 -3.12 0.00 0.00 179.24 176.29 1fag h GLU 200 N 0.64 0.67 -0.15 3.56 4.39 -1.68 -1.41 114.58 120.58 1fag h GLU 200 Ca 0.37 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.90 1fag h GLU 200 Cb 0.57 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1fag h GLU 200 CO -0.14 0.62 -0.10 -0.91 -1.16 0.00 0.00 179.01 177.32 1fag h ASN 201 N 0.57 0.22 -0.16 1.42 2.35 -1.02 -1.54 115.58 117.42 1fag h ASN 201 Ca 0.15 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1fag h ASN 201 Cb 0.21 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1fag h ASN 201 CO -0.01 0.35 -0.01 0.11 -1.65 0.00 0.00 177.43 176.22 1fag h LYS 202 N 0.23 0.29 -0.55 0.81 1.57 -0.01 0.07 116.57 118.98 1fag h LYS 202 Ca 0.05 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1fag h LYS 202 Cb 0.32 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1fag h LYS 202 CO 0.02 0.53 0.36 -0.09 -0.57 0.00 0.00 179.45 179.70 1fag h ARG 203 N 0.02 0.72 -0.78 3.15 2.43 -0.68 -1.60 114.38 117.65 1fag h ARG 203 Ca 0.04 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1fag h ARG 203 Cb 0.41 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 1fag h ARG 203 CO 0.01 0.48 0.44 0.37 -1.51 0.00 0.00 179.97 179.77 1fag h GLN 204 N 0.75 1.07 0.30 0.20 5.75 -1.18 -1.55 115.11 120.45 1fag h GLN 204 Ca 0.20 -0.11 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1fag h GLN 204 Cb -0.09 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.23 1fag h GLN 204 CO -0.04 0.78 -0.24 0.35 -2.65 0.00 0.00 178.83 177.02 1fag h PHE 205 N 1.07 -0.64 -0.96 3.99 3.57 -0.16 -0.73 116.94 123.09 1fag h PHE 205 Ca 0.28 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.87 1fag h PHE 205 Cb 0.00 0.24 -0.08 0.00 2.79 0.00 0.00 35.95 38.91 1fag h PHE 205 CO -0.00 -0.36 0.60 1.96 -2.23 0.00 0.00 178.31 178.27 1fag h GLN 206 N -0.55 0.98 -0.28 1.11 4.20 -1.15 -0.24 115.11 119.18 1fag h GLN 206 Ca -0.02 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.68 1fag h GLN 206 Cb 0.49 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 1fag h GLN 206 CO -0.02 0.65 0.00 1.49 -0.67 0.00 0.00 178.83 180.28 1fag h GLU 207 N 1.01 0.09 -0.24 1.46 4.81 -0.46 0.86 114.58 122.10 1fag h GLU 207 Ca 0.45 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.55 1fag h GLU 207 Cb 0.35 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1fag h GLU 207 CO -0.23 0.06 -0.37 -0.44 -0.73 0.00 0.00 179.01 177.29 1fag h ASP 208 N 0.09 0.56 -0.57 1.04 3.32 -0.20 -1.92 116.42 118.73 1fag h ASP 208 Ca 0.13 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 1fag h ASP 208 Cb 0.17 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1fag h ASP 208 CO -0.22 0.88 0.25 0.40 -1.72 0.00 0.00 179.24 178.84 1fag h ILE 209 N 0.44 1.21 -0.62 0.35 2.04 -0.32 -1.41 117.51 119.21 1fag h ILE 209 Ca 0.04 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.32 1fag h ILE 209 Cb 0.86 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 1fag h ILE 209 CO 0.07 0.25 0.34 0.50 0.00 0.00 0.00 178.15 179.32 1fag h LYS 210 N 0.78 0.63 -0.32 2.37 1.63 -0.51 -1.26 116.57 119.89 1fag h LYS 210 Ca 0.19 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1fag h LYS 210 Cb 0.15 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 1fag h LYS 210 CO -0.02 0.42 0.19 0.28 -3.45 0.00 0.00 179.45 176.87 1fag h VAL 211 N 0.65 1.11 -0.25 2.00 2.07 -0.90 0.12 116.25 121.06 1fag h VAL 211 Ca 0.27 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1fag h VAL 211 Cb 0.14 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1fag h VAL 211 CO -0.16 0.11 0.07 0.24 0.02 0.00 0.00 177.57 177.86 1fag h MET 212 N 0.40 0.17 -0.42 1.57 2.86 -0.66 -1.56 114.93 117.30 1fag h MET 212 Ca 0.11 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1fag h MET 212 Cb 0.02 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1fag h MET 212 CO -0.02 0.11 0.13 -0.91 1.06 0.00 0.00 176.91 177.29 1fag h ASN 213 N 0.18 0.55 -0.53 1.22 2.35 -0.87 -1.37 115.58 117.11 1fag h ASN 213 Ca 0.11 -0.07 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1fag h ASN 213 Cb 0.09 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.27 1fag h ASN 213 CO -0.12 0.53 0.24 0.44 -1.65 0.00 0.00 177.43 176.86 1fag h ASP 214 N 0.60 0.31 -0.46 5.81 5.19 0.19 0.66 116.42 128.72 1fag h ASP 214 Ca 0.14 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.59 1fag h ASP 214 Cb 0.18 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.65 1fag h ASP 214 CO -0.01 0.21 0.25 0.25 -3.12 0.00 0.00 179.24 176.82 1fag h LEU 215 N 0.46 0.58 -0.28 1.55 5.85 -0.52 -1.54 115.31 121.41 1fag h LEU 215 Ca 0.24 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.93 1fag h LEU 215 Cb 0.20 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 1fag h LEU 215 CO -0.20 0.51 -0.12 0.58 -0.34 0.00 0.00 178.44 178.87 1fag h VAL 216 N 0.60 0.60 -0.89 1.05 2.07 -0.61 0.10 116.25 119.17 1fag h VAL 216 Ca 0.16 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.84 1fag h VAL 216 Cb 0.07 0.60 -0.10 0.00 -1.52 0.00 0.00 31.29 30.34 1fag h VAL 216 CO -0.02 0.00 0.49 0.44 0.02 0.00 0.00 177.57 178.49 1fag h ASP 217 N -0.08 0.60 0.46 0.57 3.32 -0.37 0.13 116.42 121.05 1fag h ASP 217 Ca 0.14 0.09 -0.14 0.00 0.02 0.00 0.00 57.03 57.15 1fag h ASP 217 Cb 0.30 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1fag h ASP 217 CO -0.33 0.24 -0.61 0.11 -1.72 0.00 0.00 179.24 176.93 1fag h LYS 218 N 0.67 0.14 0.02 3.56 1.79 -0.05 -0.90 116.57 121.80 1fag h LYS 218 Ca 0.49 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.86 1fag h LYS 218 Cb 0.71 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1fag h LYS 218 CO -0.37 0.71 -0.01 0.82 -1.08 0.00 0.00 179.45 179.52 1fag h ILE 219 N 0.11 1.18 0.48 1.86 2.04 0.15 0.22 117.51 123.55 1fag h ILE 219 Ca -0.01 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1fag h ILE 219 Cb 1.10 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1fag h ILE 219 CO 0.09 0.15 -0.23 0.40 0.00 0.00 0.00 178.15 178.56 1fag h ILE 220 N -0.28 0.53 -0.82 -0.67 2.04 -0.91 -0.92 117.51 116.48 1fag h ILE 220 Ca -0.00 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 65.90 1fag h ILE 220 Cb 0.27 0.56 -0.08 0.00 -0.74 0.00 0.00 36.82 36.83 1fag h ILE 220 CO 0.00 0.01 0.46 0.00 0.00 0.00 0.00 178.15 178.63 1fag h ALA 221 N -0.16 1.19 -0.52 1.87 0.00 -1.18 0.14 119.26 120.60 1fag h ALA 221 Ca -0.07 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1fag h ALA 221 Cb 0.51 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1fag h ALA 221 CO 0.11 0.06 0.26 0.22 0.00 0.00 0.00 179.25 179.90 1fag h ASP 222 N 0.75 0.37 0.48 0.00 3.58 -0.57 -1.62 116.42 119.41 1fag h ASP 222 Ca 0.41 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.87 1fag h ASP 222 Cb 0.42 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1fag h ASP 222 CO -0.27 0.26 -0.37 -0.09 -2.88 0.00 0.00 179.24 175.89 1fag h ARG 223 N 0.51 -0.80 0.00 0.28 9.65 0.42 -0.91 114.38 123.52 1fag h ARG 223 Ca 0.23 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 1fag h ARG 223 Cb 0.14 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1fag h ARG 223 CO -0.16 -0.53 0.00 1.63 2.80 0.00 0.00 179.97 183.70 1fag n LYS 224 N -5.49 0.04 0.00 0.20 5.02 -0.74 -3.08 118.16 114.13 1fag n LYS 224 Ca -0.11 0.31 -0.01 0.00 -2.02 0.00 0.00 58.31 56.47 1fag n LYS 224 Cb 0.38 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.79 1fag n LYS 224 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fag n ALA 225 N -1.42 1.90 -2.55 7.82 0.00 -0.37 -4.99 120.51 120.90 1fag n ALA 225 Ca 0.03 -0.67 -0.18 0.00 0.00 0.00 0.00 53.44 52.61 1fag n ALA 225 Cb 0.08 -0.82 -0.11 0.00 0.00 0.00 0.00 19.45 18.59 1fag n ALA 225 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1fag s SER 226 N -5.67 1.92 0.00 0.00 0.01 -1.07 -5.08 113.70 103.81 1fag s SER 226 Ca -0.04 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1fag s SER 226 Cb 0.09 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.25 1fag s SER 226 CO 0.82 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.96 1fag n GLY 227 N 0.75 0.72 3.93 3.44 0.00 -1.26 -4.93 105.19 107.83 1fag n GLY 227 Ca -0.17 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.73 1fag n GLY 227 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fag s GLU 228 N 0.00 0.33 -0.44 1.61 2.56 -1.26 -5.05 118.70 116.44 1fag s GLU 228 Ca 0.00 -0.21 -0.34 0.00 0.00 0.00 0.00 54.97 54.43 1fag s GLU 228 Cb 0.00 0.09 0.05 0.00 2.00 0.00 0.00 34.13 36.27 1fag s GLU 228 CO 0.00 -0.15 0.61 1.04 -0.56 0.00 0.00 175.26 176.20 1fag n GLN 229 N -0.84 -1.75 -4.78 4.30 1.13 -1.26 -5.01 117.38 109.17 1fag n GLN 229 Ca 0.02 1.25 -0.33 0.00 -1.94 0.00 0.00 57.00 56.00 1fag n GLN 229 Cb 0.59 -1.85 -0.15 0.00 0.11 0.00 0.00 30.24 28.95 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 -1.47 3.88 -1.09 1.08 0.01 -1.26 -5.05 113.70 109.80 1fag s SER 230 Ca 0.33 -0.37 -0.08 0.00 1.31 0.00 0.00 55.95 57.14 1fag s SER 230 Cb -0.03 -1.59 0.27 0.00 0.21 0.00 0.00 66.02 64.88 1fag s SER 230 CO 0.81 0.15 1.11 -0.67 0.41 0.00 0.00 173.24 175.05 1fag n ASP 231 N 3.61 5.43 -2.22 2.44 2.03 -1.26 -4.57 116.55 122.01 1fag n ASP 231 Ca -0.18 -3.08 -0.06 0.00 0.52 0.00 0.00 54.79 51.98 1fag n ASP 231 Cb 0.53 -1.33 -0.01 0.00 -0.72 0.00 0.00 41.12 39.58 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 2.51 1.52 -0.21 1.67 5.68 -1.26 -5.03 116.55 121.42 1fag n ASP 232 Ca 0.24 -1.47 0.02 0.00 -0.50 0.00 0.00 54.79 53.08 1fag n ASP 232 Cb 0.38 0.16 0.26 0.00 -1.14 0.00 0.00 41.12 40.79 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 0.83 0.78 -2.12 6.46 -1.76 -2.67 115.31 116.83 1fag h LEU 233 Ca -0.08 -0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.63 1fag h LEU 233 Cb 0.26 -0.20 0.01 0.00 -0.73 0.00 0.00 40.66 40.00 1fag h LEU 233 CO 0.12 0.59 -0.38 0.25 -0.62 0.00 0.00 178.44 178.41 1fag h LEU 234 N 0.97 -0.89 -1.98 2.25 5.85 -1.69 0.99 115.31 120.80 1fag h LEU 234 Ca 0.28 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.11 1fag h LEU 234 Cb -0.06 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1fag h LEU 234 CO -0.07 -0.62 0.23 0.71 -0.34 0.00 0.00 178.44 178.35 1fag h THR 235 N -1.07 0.85 -0.01 1.05 1.35 -1.78 0.21 112.91 113.52 1fag h THR 235 Ca -0.11 -0.01 -0.19 0.00 -0.55 0.00 0.00 66.41 65.55 1fag h THR 235 Cb 0.81 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 1fag h THR 235 CO 0.18 0.00 -0.85 0.45 -0.25 0.00 0.00 175.52 175.05 1fag h HIS 236 N 0.02 0.33 -0.02 4.73 3.86 -1.10 0.54 115.15 123.51 1fag h HIS 236 Ca 0.15 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1fag h HIS 236 Cb 0.58 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 1fag h HIS 236 CO -0.00 0.97 -0.02 0.52 0.86 0.00 0.00 177.93 180.26 1fag h MET 237 N 0.13 0.04 -0.75 2.45 2.07 0.17 -1.79 114.93 117.26 1fag h MET 237 Ca -0.04 -0.03 -0.06 0.00 -2.07 0.00 0.00 59.70 57.51 1fag h MET 237 Cb 1.46 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 31.16 1fag h MET 237 CO 0.13 0.55 0.25 -0.07 1.07 0.00 0.00 176.91 178.84 1fag h LEU 238 N -0.46 1.07 0.00 1.22 3.38 -0.72 -3.38 115.31 116.43 1fag h LEU 238 Ca 0.00 -0.20 -0.20 0.00 0.09 0.00 0.00 57.88 57.58 1fag h LEU 238 Cb 0.55 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1fag h LEU 238 CO 0.01 0.99 -1.65 0.59 0.09 0.00 0.00 178.44 178.46 1fag n ASN 239 N -4.27 0.87 -4.12 -0.43 5.03 0.18 -4.87 115.26 107.65 1fag n ASN 239 Ca 0.06 0.14 -0.47 0.00 0.87 0.00 0.00 54.58 55.18 1fag n ASN 239 Cb 0.22 -0.34 -0.04 0.00 -1.02 0.00 0.00 39.78 38.60 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 2.28 -1.30 3.56 7.41 0.00 -0.67 -4.74 105.19 111.73 1fag n GLY 240 Ca -0.23 0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1fag n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fag s LYS 241 N -0.71 2.65 -0.23 1.61 1.02 -1.26 -4.21 119.74 118.62 1fag s LYS 241 Ca 0.66 -0.61 -0.29 0.00 0.02 0.00 0.00 55.97 55.74 1fag s LYS 241 Cb -0.94 -2.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 1fag s LYS 241 CO 0.52 0.64 1.55 0.34 -0.92 0.00 0.00 175.35 177.49 1fag s ASP 242 N -0.88 6.45 0.58 2.83 2.15 -0.28 -4.82 116.67 122.70 1fag s ASP 242 Ca 0.13 1.57 0.28 0.00 0.43 0.00 0.00 52.55 54.96 1fag s ASP 242 Cb -0.11 -2.53 1.65 0.00 -0.30 0.00 0.00 42.92 41.63 1fag s ASP 242 CO 0.02 -1.20 2.12 -0.65 -0.17 0.00 0.00 175.17 175.29 1fag h PRO 243 N 10.38 0.00 0.00 4.34 0.11 -1.92 1.04 132.00 145.95 1fag h PRO 243 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1fag h PRO 243 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1fag h PRO 243 CO 1.00 0.00 0.00 1.49 -0.21 0.00 0.00 178.00 180.28 1fag h GLU 244 N 0.00 0.00 0.00 1.05 4.81 -1.95 -3.31 114.58 115.18 1fag h GLU 244 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1fag h GLU 244 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1fag h GLU 244 CO -0.00 0.00 -0.39 0.25 -0.73 0.00 0.00 179.01 178.14 1fag n THR 245 N -2.77 0.00 -0.29 0.32 -2.24 -0.80 -5.00 114.28 103.51 1fag n THR 245 Ca 0.02 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1fag n THR 245 Cb 0.36 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1fag n THR 245 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fag n GLY 246 N 1.09 2.16 3.76 3.38 0.00 0.35 -5.02 105.19 110.91 1fag n GLY 246 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.09 3.10 0.31 1.61 0.41 -1.21 -4.59 118.70 118.22 1fag s GLU 247 Ca 0.00 -0.38 -0.05 0.00 -0.41 0.00 0.00 54.97 54.13 1fag s GLU 247 Cb 0.00 -2.89 0.07 0.00 -1.78 0.00 0.00 34.13 29.53 1fag s GLU 247 CO 0.00 0.70 0.40 -2.30 -0.49 0.00 0.00 175.26 173.57 1fag n PRO 248 N 1.77 -0.52 -3.03 0.39 -0.02 -1.26 -1.12 135.00 131.21 1fag n PRO 248 Ca -0.17 -0.62 -0.37 0.00 -2.02 0.00 0.00 63.50 60.32 1fag n PRO 248 Cb 0.54 -0.43 -0.06 0.00 -0.02 0.00 0.00 33.50 33.53 1fag n PRO 248 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1fag s LEU 249 N 0.00 4.42 0.33 2.45 1.43 -1.26 -4.85 118.68 121.20 1fag s LEU 249 Ca 0.23 1.53 -0.26 0.00 -1.03 0.00 0.00 54.13 54.60 1fag s LEU 249 Cb -0.01 -3.53 -0.10 0.00 0.03 0.00 0.00 46.19 42.59 1fag s LEU 249 CO 0.16 0.08 0.95 1.51 0.23 0.00 0.00 176.35 179.28 1fag s ASP 250 N -1.48 7.30 0.26 2.29 -4.77 -1.26 -4.82 116.67 114.20 1fag s ASP 250 Ca 0.41 1.84 -0.00 0.00 -3.30 0.00 0.00 52.55 51.49 1fag s ASP 250 Cb -0.19 -2.58 0.60 0.00 -1.09 0.00 0.00 42.92 39.66 1fag s ASP 250 CO 0.23 -0.09 1.36 0.47 0.70 0.00 0.00 175.17 177.83 1fag n ASP 251 N 0.48 -0.15 -0.16 2.11 9.92 -1.26 -0.88 116.55 126.61 1fag n ASP 251 Ca 0.02 1.48 -0.03 0.00 -0.53 0.00 0.00 54.79 55.73 1fag n ASP 251 Cb 0.50 -0.52 0.06 0.00 -0.64 0.00 0.00 41.12 40.53 1fag n ASP 251 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1fag h GLU 252 N 0.00 0.36 -0.06 -1.24 4.81 -2.00 -0.09 114.58 116.36 1fag h GLU 252 Ca 0.50 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.51 1fag h GLU 252 Cb 0.97 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 1fag h GLU 252 CO -0.83 0.24 -0.78 -0.97 -0.73 0.00 0.00 179.01 175.94 1fag h ASN 253 N 0.37 0.49 -0.57 1.04 -0.73 -1.39 -2.56 115.58 112.25 1fag h ASN 253 Ca 0.23 -0.34 0.09 0.00 1.87 0.00 0.00 56.30 58.15 1fag h ASN 253 Cb 0.23 -0.15 -0.07 0.00 0.27 0.00 0.00 38.32 38.60 1fag h ASN 253 CO -0.22 1.10 0.18 0.40 -0.37 0.00 0.00 177.43 178.52 1fag h ILE 254 N 0.27 0.76 0.12 2.57 2.04 -0.45 0.27 117.51 123.10 1fag h ILE 254 Ca -0.04 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1fag h ILE 254 Cb 1.37 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1fag h ILE 254 CO 0.13 0.06 -0.36 -0.09 0.00 0.00 0.00 178.15 177.90 1fag h ARG 255 N 0.35 -0.57 -0.81 2.37 2.43 -0.93 -0.92 114.38 116.30 1fag h ARG 255 Ca 0.28 0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.66 1fag h ARG 255 Cb 0.35 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.98 1fag h ARG 255 CO -0.31 -0.38 0.54 1.88 -1.51 0.00 0.00 179.97 180.20 1fag h TYR 256 N -0.59 0.49 -0.05 2.20 0.05 -0.68 -0.90 116.97 117.48 1fag h TYR 256 Ca 0.03 0.01 -0.18 0.00 0.05 0.00 0.00 58.73 58.65 1fag h TYR 256 Cb 0.62 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 1fag h TYR 256 CO -0.32 0.16 -0.73 1.96 -1.05 0.00 0.00 178.16 178.19 1fag h GLN 257 N 0.40 0.30 0.60 4.88 1.08 0.81 -1.61 115.11 121.56 1fag h GLN 257 Ca 0.41 -0.25 -0.03 0.00 -1.45 0.00 0.00 58.65 57.33 1fag h GLN 257 Cb 0.99 0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.48 1fag h GLN 257 CO -0.14 0.90 -0.29 0.82 -0.95 0.00 0.00 178.83 179.18 1fag h ILE 258 N 0.20 0.17 -0.61 2.54 2.04 -0.40 0.52 117.51 121.97 1fag h ILE 258 Ca -0.03 -0.38 0.12 0.00 1.00 0.00 0.00 64.86 65.57 1fag h ILE 258 Cb 1.29 0.24 -0.11 0.00 -0.74 0.00 0.00 36.82 37.50 1fag h ILE 258 CO 0.12 0.03 -0.09 0.40 0.00 0.00 0.00 178.15 178.60 1fag h ILE 259 N -1.13 0.43 -0.20 -0.67 2.04 -1.48 0.16 117.51 116.66 1fag h ILE 259 Ca -0.08 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.81 1fag h ILE 259 Cb 0.66 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1fag h ILE 259 CO 0.13 0.01 -0.07 0.74 0.00 0.00 0.00 178.15 178.96 1fag h THR 260 N 0.04 0.75 0.00 -0.27 2.02 -1.17 -0.42 112.91 113.85 1fag h THR 260 Ca 0.30 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.44 1fag h THR 260 Cb 0.48 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1fag h THR 260 CO -0.59 0.00 -0.22 -0.26 0.37 0.00 0.00 175.52 174.83 1fag h PHE 261 N -0.03 0.00 -0.02 3.16 -1.00 0.17 -0.53 116.94 118.69 1fag h PHE 261 Ca 0.10 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.86 1fag h PHE 261 Cb 0.19 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.75 1fag h PHE 261 CO -0.24 0.22 -0.06 -0.07 -1.61 0.00 0.00 178.31 176.55 1fag h LEU 262 N 0.00 0.09 0.04 1.54 3.38 0.09 -2.38 115.31 118.08 1fag h LEU 262 Ca -0.00 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.35 1fag h LEU 262 Cb 0.69 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1fag h LEU 262 CO 0.03 0.69 -0.02 0.40 0.09 0.00 0.00 178.44 179.63 1fag h ILE 263 N -0.50 0.00 0.00 1.22 2.04 -0.96 -3.28 117.51 116.03 1fag h ILE 263 Ca -0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1fag h ILE 263 Cb 0.68 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1fag h ILE 263 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.16 1fag h ALA 264 N -1.90 1.00 -0.47 1.87 0.00 -1.29 -1.91 119.26 116.56 1fag h ALA 264 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fag h ALA 264 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1fag h ALA 264 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1fag n GLY 265 N -1.15 1.92 0.58 0.00 0.00 -0.89 -4.50 105.19 101.15 1fag n GLY 265 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.77 -0.20 0.23 1.61 1.44 -0.75 -4.69 115.22 113.63 1fag n HIS 266 Ca 0.18 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.74 1fag n HIS 266 Cb 0.65 0.15 -0.08 0.00 0.12 0.00 0.00 29.99 30.82 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 -0.51 -0.41 -1.40 4.57 -1.71 -2.07 114.58 113.05 1fag h GLU 267 Ca 0.00 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1fag h GLU 267 Cb 0.00 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1fag h GLU 267 CO 0.00 -0.30 0.28 1.79 -1.18 0.00 0.00 179.01 179.60 1fag h THR 268 N -0.59 1.02 0.04 0.32 1.35 -1.81 -1.78 112.91 111.47 1fag h THR 268 Ca -0.05 -0.15 -0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1fag h THR 268 Cb 0.44 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1fag h THR 268 CO 0.09 0.08 -0.02 0.74 -0.25 0.00 0.00 175.52 176.16 1fag h THR 269 N 0.43 1.29 -0.94 6.82 2.02 -1.82 -2.48 112.91 118.23 1fag h THR 269 Ca 0.17 -1.15 0.02 0.00 0.77 0.00 0.00 66.41 66.22 1fag h THR 269 Cb 0.14 2.04 -0.05 0.00 -1.74 0.00 0.00 68.15 68.54 1fag h THR 269 CO -0.04 0.29 0.62 0.77 0.37 0.00 0.00 175.52 177.53 1fag h SER 270 N -0.57 1.06 -0.57 4.18 4.64 -1.11 0.09 113.55 121.26 1fag h SER 270 Ca -0.01 -0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.34 1fag h SER 270 Cb 0.51 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 62.30 1fag h SER 270 CO 0.01 0.75 0.31 1.23 -0.87 0.00 0.00 176.83 178.26 1fag h GLY 271 N 1.24 0.81 0.85 -0.77 0.00 -1.34 0.63 103.07 104.49 1fag h GLY 271 Ca 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1fag h GLY 271 CO -0.09 0.15 -0.12 -2.00 0.00 0.00 0.00 176.54 174.48 1fag h LEU 272 N 0.60 -0.32 -1.35 3.11 5.85 -0.71 0.56 115.31 123.04 1fag h LEU 272 Ca 0.25 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.03 1fag h LEU 272 Cb 0.12 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1fag h LEU 272 CO -0.15 -0.19 0.46 -0.07 -0.34 0.00 0.00 178.44 178.16 1fag h LEU 273 N -0.27 0.73 -0.24 2.25 3.38 -0.46 0.13 115.31 120.82 1fag h LEU 273 Ca 0.00 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1fag h LEU 273 Cb 0.26 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1fag h LEU 273 CO -0.03 0.50 -0.21 0.28 0.09 0.00 0.00 178.44 179.07 1fag h SER 274 N 0.84 0.61 -0.10 -0.43 0.02 -0.27 -1.98 113.55 112.24 1fag h SER 274 Ca 0.28 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1fag h SER 274 Cb 0.06 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 1fag h SER 274 CO -0.08 0.94 0.04 -0.26 -1.14 0.00 0.00 176.83 176.33 1fag h PHE 275 N 0.28 0.15 -0.23 3.45 0.04 -0.39 -1.09 116.94 119.15 1fag h PHE 275 Ca 0.04 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.85 1fag h PHE 275 Cb 0.75 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.81 1fag h PHE 275 CO 0.07 0.27 -0.12 0.00 -0.60 0.00 0.00 178.31 177.94 1fag h ALA 276 N 0.87 0.07 -0.29 2.45 0.00 -0.74 -0.08 119.26 121.54 1fag h ALA 276 Ca 0.03 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1fag h ALA 276 Cb 0.18 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1fag h ALA 276 CO -0.00 -0.53 0.02 1.25 0.00 0.00 0.00 179.25 179.99 1fag h LEU 277 N -0.09 0.40 0.30 0.00 5.85 -1.28 0.91 115.31 121.40 1fag h LEU 277 Ca 0.12 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1fag h LEU 277 Cb 0.28 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1fag h LEU 277 CO -0.29 0.45 -0.17 0.22 -0.34 0.00 0.00 178.44 178.31 1fag h TYR 278 N 0.42 -0.45 -0.69 1.25 5.03 0.27 -0.20 116.97 122.61 1fag h TYR 278 Ca 0.10 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.41 1fag h TYR 278 Cb 0.25 0.16 -0.04 0.00 1.55 0.00 0.00 36.73 38.65 1fag h TYR 278 CO 0.01 -0.27 0.45 0.74 -1.32 0.00 0.00 178.16 177.77 1fag h PHE 279 N -0.45 0.86 -0.15 -3.82 0.04 -0.54 0.09 116.94 112.97 1fag h PHE 279 Ca -0.03 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.78 1fag h PHE 279 Cb 0.36 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1fag h PHE 279 CO -0.08 0.53 0.00 -0.07 -0.60 0.00 0.00 178.31 178.09 1fag h LEU 280 N 0.92 -0.05 -1.02 1.54 3.38 -0.53 0.27 115.31 119.82 1fag h LEU 280 Ca 0.26 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1fag h LEU 280 Cb -0.09 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1fag h LEU 280 CO -0.06 -0.01 0.59 0.58 0.09 0.00 0.00 178.44 179.64 1fag h VAL 281 N 0.05 1.25 0.00 1.22 2.07 -0.66 -1.91 116.25 118.27 1fag h VAL 281 Ca 0.07 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1fag h VAL 281 Cb 0.08 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 1fag h VAL 281 CO -0.12 0.25 0.00 0.11 0.02 0.00 0.00 177.57 177.84 1fag h LYS 282 N 1.29 0.00 -2.33 1.57 1.79 -0.31 -3.37 116.57 115.21 1fag h LYS 282 Ca 0.34 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 58.21 1fag h LYS 282 Cb -0.10 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.13 1fag h LYS 282 CO -0.07 0.00 -0.67 0.09 -1.08 0.00 0.00 179.45 177.72 1fag n ASN 283 N -2.75 3.00 -0.34 0.86 3.02 0.90 -4.99 115.26 114.96 1fag n ASN 283 Ca 0.04 -3.27 0.28 0.00 -0.03 0.00 0.00 54.58 51.61 1fag n ASN 283 Cb 0.45 -0.68 0.54 0.00 -0.61 0.00 0.00 39.78 39.47 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 4.42 0.17 -0.00 3.52 0.13 -1.71 0.13 132.00 138.66 1fag h PRO 284 Ca 0.18 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 65.12 1fag h PRO 284 Cb 0.72 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 1fag h PRO 284 CO 0.75 0.11 -0.81 0.45 -0.23 0.00 0.00 178.00 178.27 1fag h HIS 285 N 0.18 0.11 -0.23 1.56 3.86 -1.94 0.12 115.15 118.81 1fag h HIS 285 Ca 0.79 -0.06 -0.19 0.00 -1.16 0.00 0.00 60.37 59.75 1fag h HIS 285 Cb 1.97 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.43 1fag h HIS 285 CO -0.01 0.85 -0.60 0.28 0.86 0.00 0.00 177.93 179.31 1fag h VAL 286 N 0.04 1.28 -0.03 2.45 2.07 -1.34 -0.73 116.25 120.00 1fag h VAL 286 Ca -0.02 -1.79 0.02 0.00 0.82 0.00 0.00 66.70 65.72 1fag h VAL 286 Cb 1.42 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 1fag h VAL 286 CO 0.11 0.58 -0.06 0.25 0.02 0.00 0.00 177.57 178.47 1fag h LEU 287 N 0.57 -0.19 -0.61 2.57 6.46 -1.19 0.34 115.31 123.26 1fag h LEU 287 Ca -0.01 0.03 0.10 0.00 -0.12 0.00 0.00 57.88 57.88 1fag h LEU 287 Cb 1.22 0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 41.16 1fag h LEU 287 CO 0.13 -0.09 0.20 -0.61 -0.62 0.00 0.00 178.44 177.45 1fag h GLN 288 N -0.10 0.35 0.72 1.25 4.15 -0.52 0.42 115.11 121.39 1fag h GLN 288 Ca 0.04 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 1fag h GLN 288 Cb 0.14 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1fag h GLN 288 CO -0.09 0.23 -0.38 0.87 -1.93 0.00 0.00 178.83 177.53 1fag h LYS 289 N 0.36 -0.98 -0.79 1.69 1.57 -0.30 -1.94 116.57 116.18 1fag h LYS 289 Ca 0.31 0.07 0.14 0.00 -1.87 0.00 0.00 60.65 59.30 1fag h LYS 289 Cb 0.41 0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 1fag h LYS 289 CO -0.34 -0.65 0.52 0.00 -0.57 0.00 0.00 179.45 178.41 1fag h ALA 290 N -0.77 2.03 -0.09 3.86 0.00 -0.11 -1.24 119.26 122.94 1fag h ALA 290 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1fag h ALA 290 Cb 0.80 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1fag h ALA 290 CO 0.14 -0.24 0.04 0.00 0.00 0.00 0.00 179.25 179.19 1fag h ALA 291 N 1.63 0.12 -0.26 0.00 0.00 0.27 -1.67 119.26 119.35 1fag h ALA 291 Ca 0.39 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1fag h ALA 291 Cb 0.80 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1fag h ALA 291 CO -0.14 -0.29 0.04 0.93 0.00 0.00 0.00 179.25 179.79 1fag h GLU 292 N -0.01 0.44 -0.70 0.00 5.08 -0.60 0.24 114.58 119.02 1fag h GLU 292 Ca 0.03 -0.12 0.15 0.00 -1.00 0.00 0.00 59.36 58.42 1fag h GLU 292 Cb 0.17 -0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.26 1fag h GLU 292 CO -0.00 0.56 0.06 1.49 -1.00 0.00 0.00 179.01 180.12 1fag h GLU 293 N 0.24 0.16 0.36 2.33 4.22 -1.20 0.70 114.58 121.38 1fag h GLU 293 Ca 0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.49 1fag h GLU 293 Cb 0.34 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1fag h GLU 293 CO 0.01 0.10 -0.17 0.00 -2.18 0.00 0.00 179.01 176.77 1fag h ALA 294 N 1.62 -0.48 -1.10 2.92 0.00 -1.00 -2.39 119.26 118.84 1fag h ALA 294 Ca 0.38 -0.18 0.32 0.00 0.00 0.00 0.00 54.91 55.43 1fag h ALA 294 Cb 0.65 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1fag h ALA 294 CO -0.56 -0.62 0.83 0.00 0.00 0.00 0.00 179.25 178.90 1fag h ALA 295 N -0.28 3.02 0.01 0.00 0.00 0.53 -0.89 119.26 121.65 1fag h ALA 295 Ca -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1fag h ALA 295 Cb 0.52 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1fag h ALA 295 CO 0.08 -1.40 -0.00 -0.09 0.00 0.00 0.00 179.25 177.84 1fag h ARG 296 N 0.00 -0.01 -0.13 0.00 2.43 -0.78 -3.41 114.38 112.48 1fag h ARG 296 Ca 0.52 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.54 1fag h ARG 296 Cb 2.18 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.74 1fag h ARG 296 CO -0.01 0.66 -0.53 0.28 -1.51 0.00 0.00 179.97 178.85 1fag h VAL 297 N -0.99 1.34 -0.96 0.20 2.07 -0.75 -3.38 116.25 113.79 1fag h VAL 297 Ca -0.00 -1.82 -0.74 0.00 0.82 0.00 0.00 66.70 64.96 1fag h VAL 297 Cb 0.67 2.10 -0.11 0.00 -1.52 0.00 0.00 31.29 32.42 1fag h VAL 297 CO 0.00 0.56 2.48 0.18 0.02 0.00 0.00 177.57 180.81 1fag n LEU 298 N -4.18 7.23 0.19 2.57 4.77 -0.44 -4.68 117.00 122.45 1fag n LEU 298 Ca -0.08 -4.59 0.04 0.00 -0.03 0.00 0.00 56.01 51.35 1fag n LEU 298 Cb 0.62 -1.49 0.38 0.00 -2.33 0.00 0.00 43.42 40.60 1fag n LEU 298 CO 0.47 1.56 0.72 -0.37 -1.33 0.00 0.00 177.39 178.45 1fag h VAL 299 N 3.44 1.12 -3.73 4.08 -1.51 -1.82 -3.44 116.25 114.39 1fag h VAL 299 Ca 0.54 -1.32 -0.49 0.00 -1.23 0.00 0.00 66.70 64.20 1fag h VAL 299 Cb 0.52 1.74 -0.03 0.00 -2.13 0.00 0.00 31.29 31.40 1fag h VAL 299 CO 1.65 0.36 0.14 -1.81 -1.23 0.00 0.00 177.57 176.69 1fag s ASP 300 N -6.73 6.91 0.29 4.19 1.01 -1.26 -4.96 116.67 116.13 1fag s ASP 300 Ca -0.02 1.40 0.03 0.00 0.71 0.00 0.00 52.55 54.67 1fag s ASP 300 Cb 0.13 -2.42 0.60 0.00 1.01 0.00 0.00 42.92 42.24 1fag s ASP 300 CO 0.70 -0.15 1.83 -0.65 0.21 0.00 0.00 175.17 177.12 1fag h PRO 301 N 2.61 0.92 -4.91 8.23 0.11 -1.91 -3.36 132.00 133.69 1fag h PRO 301 Ca -0.48 -0.06 -0.66 0.00 0.11 0.00 0.00 66.00 64.92 1fag h PRO 301 Cb 1.18 -0.21 -0.36 0.00 0.11 0.00 0.00 31.00 31.73 1fag h PRO 301 CO 0.65 0.61 -0.84 0.08 -0.21 0.00 0.00 178.00 178.29 1fag s VAL 302 N -5.92 1.98 0.52 3.15 1.01 -1.26 -4.90 120.40 114.98 1fag s VAL 302 Ca -0.12 -1.08 -0.20 0.00 0.00 0.00 0.00 61.98 60.58 1fag s VAL 302 Cb 0.23 -1.90 -0.09 0.00 0.00 0.00 0.00 36.38 34.62 1fag s VAL 302 CO 0.81 0.35 0.78 -2.65 0.00 0.00 0.00 175.10 174.39 1fag n PRO 303 N 4.60 0.86 -3.79 2.72 -0.02 -1.26 -5.05 135.00 133.06 1fag n PRO 303 Ca -0.18 0.32 -0.21 0.00 -2.02 0.00 0.00 63.50 61.41 1fag n PRO 303 Cb 0.48 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 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 -1.04 5.44 0.34 2.55 1.04 -1.26 -4.99 113.70 115.78 1fag s SER 304 Ca 0.68 -0.41 0.05 0.00 0.48 0.00 0.00 55.95 56.75 1fag s SER 304 Cb -0.49 -1.07 0.68 0.00 0.10 0.00 0.00 66.02 65.24 1fag s SER 304 CO 0.54 -0.33 1.91 0.22 0.98 0.00 0.00 173.24 176.55 1fag h TYR 305 N 1.21 0.89 0.12 5.02 3.20 -1.96 -1.83 116.97 123.62 1fag h TYR 305 Ca -0.45 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.43 1fag h TYR 305 Cb 1.25 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.23 1fag h TYR 305 CO 0.51 0.42 -0.06 -0.22 -1.64 0.00 0.00 178.16 177.18 1fag h LYS 306 N 0.84 -0.15 -0.98 1.82 3.64 -1.99 -2.79 116.57 116.97 1fag h LYS 306 Ca 0.39 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.97 1fag h LYS 306 Cb 0.39 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.13 1fag h LYS 306 CO -0.16 0.32 0.57 1.96 -2.27 0.00 0.00 179.45 179.88 1fag h GLN 307 N -0.73 0.68 -0.74 1.90 4.20 -1.82 0.34 115.11 118.93 1fag h GLN 307 Ca -0.02 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1fag h GLN 307 Cb 0.54 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1fag h GLN 307 CO 0.03 0.45 0.34 0.28 -0.67 0.00 0.00 178.83 179.26 1fag h VAL 308 N 0.70 1.24 0.00 -0.54 2.07 -1.35 -0.68 116.25 117.69 1fag h VAL 308 Ca 0.57 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1fag h VAL 308 Cb 0.92 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1fag h VAL 308 CO -0.40 0.29 0.00 0.11 0.02 0.00 0.00 177.57 177.59 1fag h LYS 309 N 1.04 0.00 -0.00 1.57 1.79 -0.12 -1.25 116.57 119.59 1fag h LYS 309 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1fag h LYS 309 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1fag h LYS 309 CO -0.03 0.00 -0.19 1.04 -1.08 0.00 0.00 179.45 179.19 1fag n GLN 310 N -3.07 0.60 -1.61 3.15 6.02 -0.22 -4.46 117.38 117.80 1fag n GLN 310 Ca -0.01 -0.26 -0.40 0.00 -0.01 0.00 0.00 57.00 56.32 1fag n GLN 310 Cb 0.21 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 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 -0.97 8.28 0.02 1.08 4.77 -0.47 -4.76 117.00 124.95 1fag n LEU 311 Ca 0.12 -4.52 -0.10 0.00 -0.03 0.00 0.00 56.01 51.48 1fag n LEU 311 Cb 0.31 -1.50 -0.04 0.00 -2.33 0.00 0.00 43.42 39.86 1fag n LEU 311 CO 0.26 1.95 0.78 0.50 -1.33 0.00 0.00 177.39 179.55 1fag h LYS 312 N 5.01 -0.16 -0.39 3.23 3.64 -1.84 -2.45 116.57 123.62 1fag h LYS 312 Ca 0.77 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 60.14 1fag h LYS 312 Cb 0.34 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1fag h LYS 312 CO 1.70 -0.11 0.15 -0.92 -2.27 0.00 0.00 179.45 178.00 1fag h TYR 313 N -0.17 0.59 0.00 1.91 3.20 -1.98 -2.08 116.97 118.44 1fag h TYR 313 Ca 0.07 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1fag h TYR 313 Cb 0.27 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 1fag h TYR 313 CO -0.22 0.53 -0.08 -0.39 -1.64 0.00 0.00 178.16 176.36 1fag h VAL 314 N 0.48 0.83 -0.34 1.81 -1.51 -1.88 0.20 116.25 115.84 1fag h VAL 314 Ca 0.13 -0.28 -0.13 0.00 -1.23 0.00 0.00 66.70 65.19 1fag h VAL 314 Cb 0.19 1.16 -0.01 0.00 -2.13 0.00 0.00 31.29 30.50 1fag h VAL 314 CO -0.01 0.07 -0.31 1.23 -1.23 0.00 0.00 177.57 177.33 1fag h GLY 315 N 0.32 0.79 1.04 5.19 0.00 -0.96 -1.41 103.07 108.05 1fag h GLY 315 Ca -0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.52 1fag h GLY 315 CO 0.01 0.67 0.10 -0.33 0.00 0.00 0.00 176.54 176.98 1fag h MET 316 N 0.62 1.00 -0.03 4.80 2.07 -0.03 -2.03 114.93 121.33 1fag h MET 316 Ca 0.07 -0.27 0.04 0.00 -2.07 0.00 0.00 59.70 57.47 1fag h MET 316 Cb 0.83 -0.12 -0.05 0.00 -1.87 0.00 0.00 31.60 30.39 1fag h MET 316 CO 0.07 0.95 -0.27 0.28 1.07 0.00 0.00 176.91 179.00 1fag h VAL 317 N 0.91 0.38 -0.69 -2.22 2.07 -0.65 -0.72 116.25 115.33 1fag h VAL 317 Ca 0.18 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.83 1fag h VAL 317 Cb 0.43 0.38 -0.09 0.00 -1.52 0.00 0.00 31.29 30.49 1fag h VAL 317 CO 0.01 0.00 0.23 -0.07 0.02 0.00 0.00 177.57 177.76 1fag h LEU 318 N -0.40 0.18 -0.96 2.57 4.07 -0.91 0.07 115.31 119.93 1fag h LEU 318 Ca 0.07 0.11 -0.11 0.00 0.08 0.00 0.00 57.88 58.03 1fag h LEU 318 Cb 0.50 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.33 1fag h LEU 318 CO -0.26 0.07 -0.52 0.78 -1.08 0.00 0.00 178.44 177.44 1fag h ASN 319 N 0.38 0.00 0.29 -0.43 2.35 -0.80 0.92 115.58 118.28 1fag h ASN 319 Ca 0.37 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.11 1fag h ASN 319 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1fag h ASN 319 CO -0.40 0.52 -0.14 -0.33 -1.65 0.00 0.00 177.43 175.43 1fag h GLU 320 N 0.00 -0.37 -0.56 0.81 4.39 0.43 0.39 114.58 119.67 1fag h GLU 320 Ca -0.01 0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.81 1fag h GLU 320 Cb 0.92 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.59 1fag h GLU 320 CO 0.07 -0.03 0.17 0.00 -1.16 0.00 0.00 179.01 178.06 1fag h ALA 321 N -0.33 0.69 0.00 3.43 0.00 -1.03 0.59 119.26 122.61 1fag h ALA 321 Ca -0.04 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1fag h ALA 321 Cb 0.51 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1fag h ALA 321 CO 0.06 -0.25 -0.01 1.25 0.00 0.00 0.00 179.25 180.31 1fag h LEU 322 N 0.33 0.00 0.01 0.00 5.85 -0.62 -0.15 115.31 120.72 1fag h LEU 322 Ca 0.28 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 1fag h LEU 322 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1fag h LEU 322 CO -0.32 0.01 -0.01 -0.09 -0.34 0.00 0.00 178.44 177.69 1fag h ARG 323 N 0.00 -0.02 0.18 1.25 2.43 0.46 -3.25 114.38 115.44 1fag h ARG 323 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1fag h ARG 323 Cb 0.12 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1fag h ARG 323 CO 0.00 0.36 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.62 1fag h LEU 324 N -1.00 -0.33 -7.05 3.80 -0.00 -0.95 -3.38 115.31 106.41 1fag h LEU 324 Ca -0.00 0.02 -0.62 0.00 -0.00 0.00 0.00 57.88 57.29 1fag h LEU 324 Cb 0.38 0.10 -0.40 0.00 -0.00 0.00 0.00 40.66 40.74 1fag h LEU 324 CO 0.00 -0.21 -0.70 0.26 -0.00 0.00 0.00 178.44 177.79 1fag s TRP 325 N -6.14 2.46 -0.20 1.13 0.52 -0.10 -4.84 118.94 111.77 1fag s TRP 325 Ca -0.15 -2.75 -0.29 0.00 0.02 0.00 0.00 56.10 52.94 1fag s TRP 325 Cb 0.06 -2.16 -0.02 0.00 -1.15 0.00 0.00 33.47 30.19 1fag s TRP 325 CO 0.65 -0.74 1.47 -1.25 0.02 0.00 0.00 176.95 177.10 1fag s PRO 326 N -0.12 3.98 0.46 4.98 0.04 -1.22 -4.49 135.00 138.62 1fag s PRO 326 Ca 0.20 1.63 0.20 0.00 0.04 0.00 0.00 61.00 63.07 1fag s PRO 326 Cb -0.19 -3.93 1.19 0.00 0.04 0.00 0.00 34.50 31.61 1fag s PRO 326 CO -0.04 -1.06 1.93 1.79 0.04 0.00 0.00 177.00 179.66 1fag h THR 327 N 5.87 0.75 -3.60 1.26 1.35 -1.87 -2.72 112.91 113.96 1fag h THR 327 Ca -0.31 -0.09 -0.73 0.00 -0.55 0.00 0.00 66.41 64.73 1fag h THR 327 Cb 1.13 0.46 -0.32 0.00 -1.73 0.00 0.00 68.15 67.69 1fag h THR 327 CO 1.00 0.05 -0.14 0.00 -0.25 0.00 0.00 175.52 176.17 1fag s ALA 328 N -5.26 3.90 -1.00 6.62 0.00 -1.26 -2.28 121.76 122.48 1fag s ALA 328 Ca -0.07 -3.42 0.00 0.00 0.00 0.00 0.00 51.96 48.47 1fag s ALA 328 Cb 0.21 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1fag s ALA 328 CO 0.76 -2.17 0.90 -0.35 0.00 0.00 0.00 175.76 174.89 1fag n PRO 329 N 3.37 0.00 -3.55 0.00 -0.04 -1.03 -4.84 135.00 128.92 1fag n PRO 329 Ca 0.13 0.40 -0.08 0.00 -0.04 0.00 0.00 63.50 63.91 1fag n PRO 329 Cb 0.40 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 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 -2.79 -1.93 0.02 0.55 0.00 -1.26 -2.34 121.76 114.01 1fag s ALA 330 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1fag s ALA 330 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1fag s ALA 330 CO 0.00 -0.55 -0.03 -0.59 0.00 0.00 0.00 175.76 174.58 1fag s PHE 331 N -2.36 0.32 0.12 0.00 -0.12 -1.21 -4.99 117.98 109.74 1fag s PHE 331 Ca 0.05 -0.56 0.08 0.00 -0.05 0.00 0.00 56.93 56.44 1fag s PHE 331 Cb -0.01 -0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.12 1fag s PHE 331 CO -0.05 -0.19 -0.13 0.45 -0.05 0.00 0.00 175.22 175.25 1fag s SER 332 N -1.57 4.19 0.30 1.98 0.15 -1.26 -1.15 113.70 116.34 1fag s SER 332 Ca -0.14 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 56.07 1fag s SER 332 Cb -0.09 -0.71 -0.05 0.00 -1.71 0.00 0.00 66.02 63.46 1fag s SER 332 CO -0.01 0.17 0.10 -0.76 1.20 0.00 0.00 173.24 173.93 1fag s LEU 333 N -2.25 1.86 -0.06 3.45 2.01 -0.32 -0.63 118.68 122.73 1fag s LEU 333 Ca 0.20 -1.44 -0.07 0.00 0.01 0.00 0.00 54.13 52.83 1fag s LEU 333 Cb -0.11 -0.10 0.02 0.00 0.01 0.00 0.00 46.19 46.01 1fag s LEU 333 CO 0.13 -0.74 0.20 -0.72 1.01 0.00 0.00 176.35 176.23 1fag s TYR 334 N -3.52 -0.19 -0.31 0.29 1.13 -0.71 -0.96 117.35 113.08 1fag s TYR 334 Ca 0.35 0.45 -0.28 0.00 -1.41 0.00 0.00 57.07 56.19 1fag s TYR 334 Cb 0.07 0.06 -0.05 0.00 -1.10 0.00 0.00 41.96 40.94 1fag s TYR 334 CO 0.15 -0.14 2.19 0.00 -2.51 0.00 0.00 175.55 175.25 1fag s ALA 335 N -0.11 2.47 0.44 9.51 0.00 0.28 -3.00 121.76 131.35 1fag s ALA 335 Ca -0.02 0.48 0.17 0.00 0.00 0.00 0.00 51.96 52.59 1fag s ALA 335 Cb -0.02 -4.14 1.09 0.00 0.00 0.00 0.00 23.12 20.05 1fag s ALA 335 CO 0.01 -3.21 1.93 -0.22 0.00 0.00 0.00 175.76 174.27 1fag h LYS 336 N 15.83 0.36 -3.35 0.00 3.64 -0.70 0.78 116.57 133.13 1fag h LYS 336 Ca -0.36 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.97 1fag h LYS 336 Cb 1.23 -0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.86 1fag h LYS 336 CO 1.03 0.24 -0.01 -1.83 -2.27 0.00 0.00 179.45 176.60 1fag s GLU 337 N -5.36 1.28 0.24 1.90 1.03 -1.26 -4.68 118.70 111.84 1fag s GLU 337 Ca -0.08 -0.83 -0.31 0.00 0.03 0.00 0.00 54.97 53.78 1fag s GLU 337 Cb 0.21 0.50 -0.14 0.00 -0.80 0.00 0.00 34.13 33.90 1fag s GLU 337 CO 0.76 -0.53 1.31 -0.25 -1.33 0.00 0.00 175.26 175.22 1fag n ASP 338 N -0.30 2.31 -0.34 0.83 9.92 -1.26 -4.35 116.55 123.36 1fag n ASP 338 Ca -0.12 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.29 1fag n ASP 338 Cb 0.63 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 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 1.55 0.00 -3.49 -3.53 5.66 0.83 -4.91 114.28 110.38 1fag n THR 339 Ca 0.12 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.93 1fag n THR 339 Cb 0.30 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.95 1fag n THR 339 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1fag s VAL 340 N -2.91 -0.31 0.14 1.08 1.01 -1.26 -0.54 120.40 117.61 1fag s VAL 340 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1fag s VAL 340 Cb 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 36.38 35.59 1fag s VAL 340 CO 0.00 -0.25 1.28 -0.22 0.00 0.00 0.00 175.10 175.91 1fag s LEU 341 N 2.31 4.40 -0.48 3.92 2.96 0.46 -3.36 118.68 128.90 1fag s LEU 341 Ca 0.07 2.26 0.00 0.00 -0.22 0.00 0.00 54.13 56.24 1fag s LEU 341 Cb -0.16 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1fag s LEU 341 CO -0.15 -0.51 0.00 0.61 -1.32 0.00 0.00 176.35 174.98 1fag n GLY 342 N 2.81 0.43 2.47 7.98 0.00 -1.26 -0.45 105.19 117.16 1fag n GLY 342 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 0.45 0.72 0.00 -0.02 0.00 -1.21 -4.72 105.19 100.41 1fag n GLY 343 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.62 0.91 -3.69 1.61 1.02 -0.68 -2.67 120.64 115.52 1fag n GLU 344 Ca -0.06 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.70 1fag n GLU 344 Cb 0.34 -0.63 -0.11 0.00 -0.02 0.00 0.00 31.44 31.02 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 -1.26 3.41 0.02 -0.32 2.02 0.40 -1.13 117.35 120.48 1fag s TYR 345 Ca 0.00 -1.85 -0.30 0.00 -0.37 0.00 0.00 57.07 54.54 1fag s TYR 345 Cb 0.00 -2.95 -0.06 0.00 -0.40 0.00 0.00 41.96 38.55 1fag s TYR 345 CO 0.00 -0.89 1.33 -2.14 -1.57 0.00 0.00 175.55 172.29 1fag s PRO 346 N 1.32 4.32 -0.09 -1.71 0.02 -1.26 0.17 135.00 137.78 1fag s PRO 346 Ca 0.04 1.91 0.04 0.00 0.02 0.00 0.00 61.00 63.00 1fag s PRO 346 Cb -0.23 -3.47 -0.01 0.00 0.02 0.00 0.00 34.50 30.81 1fag s PRO 346 CO -0.00 -0.48 -0.21 -0.51 -0.33 0.00 0.00 177.00 175.47 1fag s LEU 347 N 1.91 2.31 0.68 -5.54 1.43 0.29 -4.89 118.68 114.88 1fag s LEU 347 Ca 0.62 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 53.21 1fag s LEU 347 Cb -0.31 -1.46 0.05 0.00 0.03 0.00 0.00 46.19 44.50 1fag s LEU 347 CO 0.27 0.21 0.99 -1.61 0.23 0.00 0.00 176.35 176.44 1fag s GLU 348 N 0.05 2.33 0.52 1.70 2.02 -1.26 -0.12 118.70 123.94 1fag s GLU 348 Ca -0.08 -0.22 -0.22 0.00 0.02 0.00 0.00 54.97 54.46 1fag s GLU 348 Cb -0.15 -2.20 -0.06 0.00 0.10 0.00 0.00 34.13 31.83 1fag s GLU 348 CO 0.05 -1.13 1.26 0.21 0.02 0.00 0.00 175.26 175.67 1fag s LYS 349 N -5.19 3.34 0.00 1.61 2.20 -1.26 -2.32 119.74 118.12 1fag s LYS 349 Ca 0.59 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 1fag s LYS 349 Cb -0.11 -2.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.95 1fag s LYS 349 CO 0.45 -0.95 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 1fag n GLY 350 N 0.59 0.69 3.68 5.54 0.00 0.27 -4.89 105.19 111.06 1fag n GLY 350 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.56 6.93 0.25 1.61 1.11 -0.98 -4.60 116.67 118.43 1fag s ASP 351 Ca 0.00 1.92 -0.30 0.00 0.18 0.00 0.00 52.55 54.35 1fag s ASP 351 Cb 0.00 -2.55 -0.09 0.00 1.07 0.00 0.00 42.92 41.35 1fag s ASP 351 CO 0.00 -0.69 1.06 -1.61 1.18 0.00 0.00 175.17 175.11 1fag s GLU 352 N 2.67 4.68 0.02 8.23 2.02 -1.26 -0.55 118.70 134.51 1fag s GLU 352 Ca 0.59 1.71 0.04 0.00 0.02 0.00 0.00 54.97 57.34 1fag s GLU 352 Cb -0.27 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.71 1fag s GLU 352 CO 0.22 0.25 -0.13 -0.51 0.02 0.00 0.00 175.26 175.12 1fag s LEU 353 N -1.13 2.12 -0.10 1.80 1.02 -0.14 -2.78 118.68 119.47 1fag s LEU 353 Ca 0.45 -0.36 0.01 0.00 0.02 0.00 0.00 54.13 54.25 1fag s LEU 353 Cb -0.30 -0.58 0.02 0.00 0.02 0.00 0.00 46.19 45.35 1fag s LEU 353 CO 0.38 0.06 -0.13 -0.32 0.02 0.00 0.00 176.35 176.36 1fag s MET 354 N -0.82 1.97 -0.48 1.70 1.75 0.29 -1.17 119.30 122.55 1fag s MET 354 Ca 0.02 -0.47 -0.19 0.00 -1.25 0.00 0.00 55.69 53.80 1fag s MET 354 Cb -0.07 -1.72 0.05 0.00 2.84 0.00 0.00 34.83 35.93 1fag s MET 354 CO 0.01 -0.08 0.57 0.08 -0.65 0.00 0.00 175.02 174.95 1fag s VAL 355 N 1.03 4.94 -1.30 10.11 1.01 -0.30 0.10 120.40 135.99 1fag s VAL 355 Ca -0.06 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 1fag s VAL 355 Cb -0.15 -4.22 0.06 0.00 0.00 0.00 0.00 36.38 32.07 1fag s VAL 355 CO -0.01 -0.68 1.77 0.18 0.00 0.00 0.00 175.10 176.35 1fag n LEU 356 N 5.99 4.99 -0.30 3.92 4.77 -0.69 -3.30 117.00 132.38 1fag n LEU 356 Ca -0.07 -3.91 0.05 0.00 -0.03 0.00 0.00 56.01 52.06 1fag n LEU 356 Cb 0.46 -1.74 0.15 0.00 -2.33 0.00 0.00 43.42 39.95 1fag n LEU 356 CO 0.52 0.14 0.73 0.40 -1.33 0.00 0.00 177.39 177.85 1fag h ILE 357 N 5.50 0.16 -0.00 -0.08 2.04 -1.75 -0.71 117.51 122.66 1fag h ILE 357 Ca 0.45 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 66.30 1fag h ILE 357 Cb 0.86 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1fag h ILE 357 CO 1.48 0.00 0.01 1.55 0.00 0.00 0.00 178.15 181.19 1fag h PRO 358 N 0.02 0.00 0.15 2.37 0.13 -1.88 -1.47 132.00 131.32 1fag h PRO 358 Ca 0.44 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 65.25 1fag h PRO 358 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1fag h PRO 358 CO -0.84 0.00 -1.58 1.96 -0.23 0.00 0.00 178.00 177.30 1fag h GLN 359 N 0.00 0.32 -0.81 0.86 1.08 -1.46 -3.27 115.11 111.83 1fag h GLN 359 Ca 0.00 -0.54 0.10 0.00 -1.45 0.00 0.00 58.65 56.76 1fag h GLN 359 Cb 0.01 0.20 -0.06 0.00 -0.05 0.00 0.00 27.48 27.59 1fag h GLN 359 CO -0.00 1.20 0.53 1.25 -0.95 0.00 0.00 178.83 180.86 1fag h LEU 360 N 0.09 0.66 -0.00 1.46 5.85 -0.96 0.10 115.31 122.50 1fag h LEU 360 Ca -0.27 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1fag h LEU 360 Cb 2.05 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.97 1fag h LEU 360 CO 0.18 0.39 -0.00 1.41 -0.34 0.00 0.00 178.44 180.07 1fag n HIS 361 N -4.51 0.00 -0.18 1.25 8.25 -0.80 -2.82 115.22 116.40 1fag n HIS 361 Ca 0.14 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.63 1fag n HIS 361 Cb 0.35 -0.04 0.08 0.00 1.12 0.00 0.00 29.99 31.50 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 -1.04 2.85 -2.09 -0.41 1.74 0.33 -4.84 116.66 113.20 1fag n ARG 362 Ca 0.23 -1.85 -0.40 0.00 -0.77 0.00 0.00 57.85 55.05 1fag n ARG 362 Cb 0.13 -1.18 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 1fag n ARG 362 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1fag s ASP 363 N -1.16 5.63 0.55 0.55 2.15 -1.08 -4.84 116.67 118.47 1fag s ASP 363 Ca 0.13 0.65 0.23 0.00 0.43 0.00 0.00 52.55 53.99 1fag s ASP 363 Cb 0.08 -2.53 1.55 0.00 -0.30 0.00 0.00 42.92 41.72 1fag s ASP 363 CO 0.07 -2.03 2.20 0.11 -0.17 0.00 0.00 175.17 175.35 1fag h LYS 364 N 13.58 0.00 0.00 4.34 1.57 -1.92 0.12 116.57 134.25 1fag h LYS 364 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1fag h LYS 364 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1fag h LYS 364 CO 1.15 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 180.28 1fag n THR 365 N -4.19 1.18 -0.03 -0.16 -2.24 -1.26 0.10 114.28 107.68 1fag n THR 365 Ca -0.03 0.43 -0.04 0.00 -2.27 0.00 0.00 64.05 62.14 1fag n THR 365 Cb 0.09 -1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 66.94 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 -1.92 0.32 0.24 2.28 2.08 -0.41 -4.80 119.36 117.16 1fag n ILE 366 Ca 0.01 -0.12 0.11 0.00 0.56 0.00 0.00 62.75 63.31 1fag n ILE 366 Cb 0.11 -0.87 -0.10 0.00 -0.75 0.00 0.00 39.64 38.04 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 -2.78 0.21 0.00 1.39 7.02 -0.11 -5.02 117.44 118.15 1fag n TRP 367 Ca -0.10 0.06 0.00 0.00 -1.02 0.00 0.00 57.50 56.44 1fag n TRP 367 Cb 0.60 -0.50 0.00 0.00 -2.42 0.00 0.00 31.31 28.99 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 1.30 1.45 1.35 6.99 0.00 0.29 -4.63 105.19 111.93 1fag n GLY 368 Ca -0.01 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 2.92 -0.14 1.61 8.00 -1.26 -2.79 116.55 124.89 1fag n ASP 369 Ca 0.00 -1.69 0.00 0.00 0.71 0.00 0.00 54.79 53.81 1fag n ASP 369 Cb 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 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 1.18 0.00 -0.41 -2.24 5.75 -1.26 -4.94 116.55 114.64 1fag n ASP 370 Ca 0.00 -1.19 0.34 0.00 -0.01 0.00 0.00 54.79 53.93 1fag n ASP 370 Cb 0.34 -0.04 0.56 0.00 -1.03 0.00 0.00 41.12 40.96 1fag n ASP 370 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1fag n VAL 371 N 0.00 -0.17 0.75 2.12 0.24 -1.12 -0.78 118.33 119.38 1fag n VAL 371 Ca 0.00 1.40 0.09 0.00 -2.04 0.00 0.00 64.34 63.79 1fag n VAL 371 Cb 0.54 -2.30 0.43 0.00 -1.47 0.00 0.00 33.84 31.03 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 -4.17 0.14 -4.03 7.34 4.07 -1.26 -4.85 120.64 117.88 1fag n GLU 372 Ca 0.33 0.15 -0.27 0.00 -0.06 0.00 0.00 57.16 57.31 1fag n GLU 372 Cb 1.31 -1.50 -0.05 0.00 -0.06 0.00 0.00 31.44 31.14 1fag n GLU 372 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1fag s GLU 373 N -2.77 3.07 -0.84 5.31 -1.05 0.04 -5.05 118.70 117.43 1fag s GLU 373 Ca 0.13 -0.75 -0.24 0.00 -0.15 0.00 0.00 54.97 53.96 1fag s GLU 373 Cb 0.12 -2.76 0.06 0.00 -0.44 0.00 0.00 34.13 31.11 1fag s GLU 373 CO 0.30 0.51 1.26 0.12 0.95 0.00 0.00 175.26 178.40 1fag s PHE 374 N -1.69 2.54 -0.49 4.83 5.36 -1.26 -4.93 117.98 122.34 1fag s PHE 374 Ca 0.32 -0.57 0.03 0.00 -0.96 0.00 0.00 56.93 55.75 1fag s PHE 374 Cb -0.11 -4.54 0.13 0.00 -0.34 0.00 0.00 43.02 38.16 1fag s PHE 374 CO 0.25 -1.88 0.25 0.50 -1.46 0.00 0.00 175.22 172.88 1fag s ARG 375 N 4.79 1.69 0.30 10.12 3.52 -1.26 -4.96 118.95 133.15 1fag s ARG 375 Ca 0.36 -2.37 0.05 0.00 -0.13 0.00 0.00 55.73 53.64 1fag s ARG 375 Cb -0.07 -2.91 0.76 0.00 -1.56 0.00 0.00 34.95 31.17 1fag s ARG 375 CO 0.03 -1.13 1.72 -1.35 -0.81 0.00 0.00 175.30 173.76 1fag h PRO 376 N 6.59 0.51 -0.03 5.12 0.11 -1.91 -0.90 132.00 141.48 1fag h PRO 376 Ca -0.05 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.04 1fag h PRO 376 Cb 0.91 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 1fag h PRO 376 CO 0.60 0.34 0.58 0.93 -0.21 0.00 0.00 178.00 180.24 1fag h GLU 377 N 0.52 0.00 -0.10 1.05 3.07 -1.93 0.12 114.58 117.31 1fag h GLU 377 Ca 0.58 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.47 1fag h GLU 377 Cb 1.05 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1fag h GLU 377 CO -0.48 0.00 0.13 0.00 -1.40 0.00 0.00 179.01 177.27 1fag h ARG 378 N 0.00 0.00 -0.82 2.33 3.08 -1.56 0.72 114.38 118.13 1fag h ARG 378 Ca 0.01 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.68 1fag h ARG 378 Cb 1.17 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.99 1fag h ARG 378 CO -0.00 0.00 0.43 1.19 -1.07 0.00 0.00 179.97 180.52 1fag n PHE 379 N -3.69 2.56 -0.13 3.04 3.01 0.03 -4.56 117.46 117.72 1fag n PHE 379 Ca -0.00 -1.64 -0.12 0.00 1.01 0.00 0.00 57.45 56.70 1fag n PHE 379 Cb 0.23 -0.80 -0.02 0.00 -0.01 0.00 0.00 39.48 38.88 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 1.41 0.83 -4.80 -1.08 4.57 -1.03 -3.39 114.58 111.09 1fag h GLU 380 Ca 0.47 -0.37 -0.67 0.00 -1.18 0.00 0.00 59.36 57.61 1fag h GLU 380 Cb 2.52 -0.02 -0.38 0.00 -0.16 0.00 0.00 28.75 30.72 1fag h GLU 380 CO 0.89 1.01 -0.77 1.21 -1.18 0.00 0.00 179.01 180.17 1fag s ASN 381 N -6.56 4.58 0.21 1.04 2.47 -1.26 -4.99 114.94 110.42 1fag s ASN 381 Ca -0.12 -1.69 -0.11 0.00 0.42 0.00 0.00 52.86 51.36 1fag s ASN 381 Cb 0.10 -1.59 0.27 0.00 -1.45 0.00 0.00 41.25 38.59 1fag s ASN 381 CO 0.84 -0.27 1.68 -0.65 -3.72 0.00 0.00 177.10 174.98 1fag h PRO 382 N 7.72 0.14 0.00 0.43 0.11 -1.93 -0.05 132.00 138.42 1fag h PRO 382 Ca -0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1fag h PRO 382 Cb 1.03 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1fag h PRO 382 CO 0.49 0.09 0.00 0.45 -0.21 0.00 0.00 178.00 178.82 1fag n SER 383 N -5.24 0.02 -0.07 -2.05 2.88 -1.26 -2.55 113.62 105.35 1fag n SER 383 Ca 0.08 0.51 -0.15 0.00 -1.33 0.00 0.00 58.87 57.98 1fag n SER 383 Cb 0.33 -0.51 -0.06 0.00 -0.75 0.00 0.00 64.21 63.22 1fag n SER 383 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fag h ALA 384 N 2.04 0.37 -2.48 -1.46 0.00 -1.40 -3.45 119.26 112.88 1fag h ALA 384 Ca 0.00 -0.48 -0.53 0.00 0.00 0.00 0.00 54.91 53.89 1fag h ALA 384 Cb 0.02 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.78 1fag h ALA 384 CO 0.00 0.52 0.97 0.42 0.00 0.00 0.00 179.25 181.16 1fag s ILE 385 N -4.06 2.99 0.32 0.00 1.09 -1.06 -4.98 121.20 115.51 1fag s ILE 385 Ca -0.12 0.51 -0.29 0.00 -1.10 0.00 0.00 60.65 59.65 1fag s ILE 385 Cb 0.08 -3.33 -0.10 0.00 -1.06 0.00 0.00 42.46 38.06 1fag s ILE 385 CO 0.86 0.01 1.26 -2.84 -0.10 0.00 0.00 174.94 174.13 1fag s PRO 386 N 2.32 4.40 0.44 2.79 0.02 -1.26 -4.95 135.00 138.77 1fag s PRO 386 Ca 0.73 2.13 -0.25 0.00 0.02 0.00 0.00 61.00 63.62 1fag s PRO 386 Cb -0.40 -3.08 -0.08 0.00 0.02 0.00 0.00 34.50 30.95 1fag s PRO 386 CO 0.32 -0.12 1.42 -0.65 -0.33 0.00 0.00 177.00 177.65 1fag s GLN 387 N -1.74 3.72 -0.28 5.54 -0.21 -1.26 -2.12 119.66 123.31 1fag s GLN 387 Ca 0.48 2.41 0.00 0.00 0.02 0.00 0.00 55.36 58.28 1fag s GLN 387 Cb -0.38 -2.68 0.00 0.00 1.00 0.00 0.00 33.01 30.95 1fag s GLN 387 CO 0.50 -0.78 0.00 0.72 -2.12 0.00 0.00 175.29 173.61 1fag n HIS 388 N -0.14 0.00 -0.04 0.91 8.25 -1.26 -4.87 115.22 118.07 1fag n HIS 388 Ca 0.05 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.52 1fag n HIS 388 Cb 0.42 -0.84 -0.14 0.00 1.12 0.00 0.00 29.99 30.54 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 1.05 2.20 -3.57 -1.41 0.00 -0.90 -4.52 120.51 113.36 1fag n ALA 389 Ca -0.03 -0.77 -0.29 0.00 0.00 0.00 0.00 53.44 52.35 1fag n ALA 389 Cb 0.13 -0.42 -0.12 0.00 0.00 0.00 0.00 19.45 19.03 1fag n ALA 389 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1fag s PHE 390 N -2.93 1.31 -0.71 0.00 5.36 -1.26 -4.50 117.98 115.25 1fag s PHE 390 Ca -0.08 -2.01 0.04 0.00 -0.96 0.00 0.00 56.93 53.92 1fag s PHE 390 Cb 0.09 -1.36 0.30 0.00 -0.34 0.00 0.00 43.02 41.71 1fag s PHE 390 CO 0.76 -0.81 1.02 1.63 -1.46 0.00 0.00 175.22 176.37 1fag n LYS 391 N 3.77 3.34 0.20 10.12 5.02 -1.26 -4.86 118.16 134.48 1fag n LYS 391 Ca 0.11 -4.73 0.07 0.00 -2.02 0.00 0.00 58.31 51.74 1fag n LYS 391 Cb 0.36 -2.30 0.32 0.00 -0.02 0.00 0.00 35.03 33.39 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 3.89 0.00 -1.56 1.97 0.13 -1.94 -3.30 132.00 131.19 1fag h PRO 392 Ca 0.21 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.68 1fag h PRO 392 Cb 0.56 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.33 1fag h PRO 392 CO 0.93 0.31 0.03 1.19 -0.23 0.00 0.00 178.00 180.23 1fag n PHE 393 N -3.36 3.17 -4.67 1.56 3.72 -1.26 -4.74 117.46 111.88 1fag n PHE 393 Ca 0.01 -2.73 0.00 0.00 -0.05 0.00 0.00 57.45 54.67 1fag n PHE 393 Cb 0.52 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 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 -0.57 0.06 2.98 1.37 0.00 -1.24 -1.88 105.19 105.92 1fag n GLY 394 Ca 0.47 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.06 0.88 1.61 2.47 -1.22 -4.87 114.94 109.75 1fag s ASN 395 Ca 0.00 0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.38 1fag s ASN 395 Cb 0.00 0.19 0.00 0.00 -1.45 0.00 0.00 41.25 39.99 1fag s ASN 395 CO 0.00 -0.09 0.00 0.61 -3.72 0.00 0.00 177.10 173.90 1fag n GLY 396 N 2.76 2.69 0.39 1.21 0.00 -1.26 -2.62 105.19 108.35 1fag n GLY 396 Ca -0.14 -0.25 0.19 0.00 0.00 0.00 0.00 46.02 45.81 1fag n GLY 396 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1fag h GLN 397 N 0.00 0.21 -2.04 1.61 3.07 -2.01 -2.35 115.11 113.60 1fag h GLN 397 Ca 0.00 -0.01 -0.75 0.00 0.09 0.00 0.00 58.65 57.98 1fag h GLN 397 Cb 0.00 -0.05 -0.30 0.00 0.08 0.00 0.00 27.48 27.21 1fag h GLN 397 CO 0.00 0.14 0.71 0.54 0.09 0.00 0.00 178.83 180.31 1fag n ARG 398 N -4.42 3.73 -3.93 0.06 5.12 -1.08 -4.98 116.66 111.17 1fag n ARG 398 Ca 0.13 -4.11 -0.22 0.00 -1.93 0.00 0.00 57.85 51.73 1fag n ARG 398 Cb 0.61 -2.33 -0.04 0.00 -1.16 0.00 0.00 32.46 29.54 1fag n ARG 398 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1fag s ALA 399 N -4.05 3.73 -0.17 7.54 0.00 -0.89 -3.43 121.76 124.49 1fag s ALA 399 Ca 0.47 -1.60 -0.36 0.00 0.00 0.00 0.00 51.96 50.47 1fag s ALA 399 Cb 0.34 -1.17 -0.13 0.00 0.00 0.00 0.00 23.12 22.16 1fag s ALA 399 CO -0.28 0.08 1.86 0.00 0.00 0.00 0.00 175.76 177.42 1fag h ILE 401 N 5.49 1.45 -0.44 0.00 1.08 -1.96 -3.22 117.51 119.90 1fag h ILE 401 Ca -0.47 -2.34 0.00 0.00 -0.39 0.00 0.00 64.86 61.66 1fag h ILE 401 Cb 1.29 2.26 0.00 0.00 -3.07 0.00 0.00 36.82 37.30 1fag h ILE 401 CO 0.96 0.69 0.00 0.61 -0.69 0.00 0.00 178.15 179.71 1fag n GLY 402 N 0.61 1.52 0.24 5.37 0.00 -1.26 -4.66 105.19 107.00 1fag n GLY 402 Ca -0.03 -0.65 -0.03 0.00 0.00 0.00 0.00 46.02 45.31 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 1.20 -0.19 0.23 1.61 7.27 -1.22 0.17 117.38 126.45 1fag n GLN 403 Ca 0.19 0.91 0.13 0.00 0.07 0.00 0.00 57.00 58.30 1fag n GLN 403 Cb 0.52 -1.35 0.33 0.00 2.41 0.00 0.00 30.24 32.15 1fag n GLN 403 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1fag h GLN 404 N 0.00 0.00 -0.29 3.69 4.20 -1.88 -2.52 115.11 118.30 1fag h GLN 404 Ca 0.16 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1fag h GLN 404 Cb 0.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1fag h GLN 404 CO -0.58 0.07 0.03 0.35 -0.67 0.00 0.00 178.83 178.03 1fag h PHE 405 N 0.00 0.53 0.43 2.96 3.04 -0.61 0.40 116.94 123.68 1fag h PHE 405 Ca -0.00 -0.08 -0.02 0.00 3.98 0.00 0.00 57.97 61.85 1fag h PHE 405 Cb 0.87 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 1fag h PHE 405 CO 0.00 0.60 -0.34 0.00 -2.02 0.00 0.00 178.31 176.55 1fag h ALA 406 N 0.86 -1.08 -0.91 2.41 0.00 -1.18 -1.07 119.26 118.29 1fag h ALA 406 Ca 0.09 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1fag h ALA 406 Cb 0.37 0.52 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 1fag h ALA 406 CO 0.01 -1.08 0.55 -0.07 0.00 0.00 0.00 179.25 178.65 1fag h LEU 407 N -0.75 0.79 -0.75 0.00 -0.00 -1.44 0.25 115.31 113.41 1fag h LEU 407 Ca -0.06 0.05 -0.09 0.00 -0.00 0.00 0.00 57.88 57.78 1fag h LEU 407 Cb 0.63 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.17 1fag h LEU 407 CO 0.01 0.42 -0.07 -0.74 -0.00 0.00 0.00 178.44 178.06 1fag h HIS 408 N 0.88 0.96 0.08 1.13 2.76 -0.75 0.25 115.15 120.47 1fag h HIS 408 Ca 0.45 -0.17 -0.00 0.00 -2.20 0.00 0.00 60.37 58.45 1fag h HIS 408 Cb 0.45 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.16 1fag h HIS 408 CO -0.04 0.91 -0.04 1.49 -1.30 0.00 0.00 177.93 178.95 1fag h GLU 409 N 0.80 -0.11 -0.29 5.26 4.81 -0.10 -1.96 114.58 122.99 1fag h GLU 409 Ca 0.14 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.43 1fag h GLU 409 Cb 0.58 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.93 1fag h GLU 409 CO 0.04 0.35 -0.08 0.00 -0.73 0.00 0.00 179.01 178.59 1fag h ALA 410 N 0.20 0.18 -0.14 2.92 0.00 -0.49 0.35 119.26 122.28 1fag h ALA 410 Ca -0.01 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1fag h ALA 410 Cb 0.51 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1fag h ALA 410 CO 0.02 -0.47 -0.01 1.15 0.00 0.00 0.00 179.25 179.93 1fag h THR 411 N -0.01 0.89 -0.13 0.00 2.02 -0.99 0.33 112.91 115.02 1fag h THR 411 Ca 0.14 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.32 1fag h THR 411 Cb 0.22 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1fag h THR 411 CO -0.30 0.00 0.06 0.25 0.37 0.00 0.00 175.52 175.90 1fag h LEU 412 N 0.03 0.08 0.13 2.58 5.85 -0.91 0.98 115.31 124.04 1fag h LEU 412 Ca 0.06 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1fag h LEU 412 Cb 0.09 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1fag h LEU 412 CO -0.12 0.07 -0.06 1.62 -0.34 0.00 0.00 178.44 179.60 1fag h VAL 413 N 0.13 1.04 -0.96 1.05 3.04 -0.69 -0.98 116.25 118.89 1fag h VAL 413 Ca 0.05 -0.79 0.15 0.00 -1.01 0.00 0.00 66.70 65.11 1fag h VAL 413 Cb 0.02 1.52 -0.09 0.00 -2.01 0.00 0.00 31.29 30.72 1fag h VAL 413 CO -0.05 0.18 0.57 0.25 -1.01 0.00 0.00 177.57 177.52 1fag h LEU 414 N -0.55 0.77 0.69 3.16 6.46 -0.28 0.12 115.31 125.68 1fag h LEU 414 Ca -0.02 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1fag h LEU 414 Cb 0.44 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1fag h LEU 414 CO 0.03 0.35 -0.38 1.23 -0.62 0.00 0.00 178.44 179.05 1fag h GLY 415 N 0.82 -1.05 0.73 3.75 0.00 -0.61 -1.30 103.07 105.41 1fag h GLY 415 Ca 0.51 0.41 0.09 0.00 0.00 0.00 0.00 47.33 48.34 1fag h GLY 415 CO -0.32 -0.38 0.59 -0.33 0.00 0.00 0.00 176.54 176.09 1fag h MET 416 N -0.99 0.91 0.57 4.80 2.86 0.23 -0.56 114.93 122.74 1fag h MET 416 Ca -0.09 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1fag h MET 416 Cb 0.78 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1fag h MET 416 CO 0.12 0.60 -0.37 0.52 1.06 0.00 0.00 176.91 178.84 1fag h MET 417 N 0.93 -0.87 -0.23 1.72 2.07 -0.48 -1.57 114.93 116.52 1fag h MET 417 Ca 0.42 0.06 -0.00 0.00 -2.07 0.00 0.00 59.70 58.10 1fag h MET 417 Cb 0.36 0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 30.28 1fag h MET 417 CO -0.18 -0.58 0.13 -0.07 1.07 0.00 0.00 176.91 177.29 1fag h LEU 418 N -0.90 0.27 -0.62 1.22 3.38 -0.81 -1.15 115.31 116.69 1fag h LEU 418 Ca -0.07 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1fag h LEU 418 Cb 0.74 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1fag h LEU 418 CO 0.05 0.21 -0.41 0.50 0.09 0.00 0.00 178.44 178.88 1fag h LYS 419 N 0.31 0.62 0.00 1.13 3.64 -0.72 -3.36 116.57 118.18 1fag h LYS 419 Ca 0.08 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1fag h LYS 419 Cb -0.01 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1fag h LYS 419 CO -0.02 0.92 -1.20 0.72 -2.27 0.00 0.00 179.45 177.60 1fag n HIS 420 N -4.03 0.00 -4.36 1.91 8.25 -0.62 -4.85 115.22 111.52 1fag n HIS 420 Ca -0.02 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.26 1fag n HIS 420 Cb 0.53 -0.16 -0.10 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.86 1.66 -0.35 4.41 0.08 -0.50 0.48 117.98 120.90 1fag s PHE 421 Ca 0.01 -0.90 0.00 0.00 0.12 0.00 0.00 56.93 56.16 1fag s PHE 421 Cb 0.12 -0.98 0.09 0.00 -0.57 0.00 0.00 43.02 41.69 1fag s PHE 421 CO 0.72 0.00 0.09 -0.51 -0.10 0.00 0.00 175.22 175.42 1fag s ASP 422 N -3.35 4.95 -0.21 1.36 1.01 0.38 -4.76 116.67 116.06 1fag s ASP 422 Ca 0.30 -1.88 -0.25 0.00 0.71 0.00 0.00 52.55 51.43 1fag s ASP 422 Cb 0.06 -1.71 -0.01 0.00 1.01 0.00 0.00 42.92 42.27 1fag s ASP 422 CO 0.10 -0.40 0.85 -0.36 0.21 0.00 0.00 175.17 175.56 1fag s PHE 423 N 1.08 3.36 -0.14 4.23 0.08 -1.26 -0.73 117.98 124.59 1fag s PHE 423 Ca 0.05 1.21 -0.00 0.00 0.12 0.00 0.00 56.93 58.31 1fag s PHE 423 Cb -0.21 -3.05 -0.01 0.00 -0.57 0.00 0.00 43.02 39.18 1fag s PHE 423 CO -0.05 -0.34 -0.14 -2.00 -0.10 0.00 0.00 175.22 172.59 1fag s GLU 424 N 2.59 3.31 -1.48 0.44 2.12 0.13 -4.95 118.70 120.86 1fag s GLU 424 Ca 0.37 -0.71 -0.12 0.00 0.36 0.00 0.00 54.97 54.87 1fag s GLU 424 Cb -0.16 -2.64 0.02 0.00 0.26 0.00 0.00 34.13 31.62 1fag s GLU 424 CO 0.09 0.12 2.42 -3.47 -0.54 0.00 0.00 175.26 173.88 1fag n ASP 425 N 3.78 5.67 0.00 -1.70 2.03 -1.26 -1.40 116.55 123.67 1fag n ASP 425 Ca -0.18 -2.81 0.00 0.00 0.52 0.00 0.00 54.79 52.32 1fag n ASP 425 Cb 0.52 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 1fag n ASP 425 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fag n HIS 426 N 4.87 0.00 -0.10 -0.67 1.44 -1.26 -1.68 115.22 117.81 1fag n HIS 426 Ca 0.59 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.30 1fag n HIS 426 Cb 0.33 -0.16 0.00 0.00 0.12 0.00 0.00 29.99 30.29 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 -1.09 0.00 -3.76 0.61 -2.24 -1.26 -4.99 114.28 101.54 1fag n THR 427 Ca 0.00 -0.41 -0.25 0.00 -2.27 0.00 0.00 64.05 61.11 1fag n THR 427 Cb 0.05 1.10 0.04 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 -0.34 -3.36 -4.70 3.42 5.15 -0.68 -4.76 115.26 110.00 1fag n ASN 428 Ca 0.00 -0.76 -0.64 0.00 -0.60 0.00 0.00 54.58 52.58 1fag n ASN 428 Cb 0.03 -4.16 -0.09 0.00 -0.53 0.00 0.00 39.78 35.02 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 -4.53 1.61 -2.99 1.20 9.36 -1.26 -4.92 117.16 115.63 1fag n TYR 429 Ca -0.12 1.02 -0.42 0.00 3.32 0.00 0.00 57.90 61.71 1fag n TYR 429 Cb 0.60 -2.24 -0.05 0.00 -0.63 0.00 0.00 39.34 37.01 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 2.49 3.93 0.18 2.98 -6.30 -1.26 -5.00 118.70 115.71 1fag s GLU 430 Ca 1.01 0.50 -0.33 0.00 -2.50 0.00 0.00 54.97 53.64 1fag s GLU 430 Cb -1.38 -3.73 -0.14 0.00 0.00 0.00 0.00 34.13 28.87 1fag s GLU 430 CO 0.74 -0.67 1.42 -0.11 0.02 0.00 0.00 175.26 176.67 1fag n LEU 431 N 6.14 2.63 -3.67 2.70 7.94 -1.26 -4.98 117.00 126.51 1fag n LEU 431 Ca 0.03 1.12 -0.22 0.00 -1.11 0.00 0.00 56.01 55.82 1fag n LEU 431 Cb 0.48 -1.36 -0.18 0.00 0.53 0.00 0.00 43.42 42.90 1fag n LEU 431 CO 0.49 -0.63 -0.34 -0.62 -1.11 0.00 0.00 177.39 175.19 1fag s ASP 432 N 0.50 1.57 -0.39 1.96 -1.08 -1.26 -5.05 116.67 112.91 1fag s ASP 432 Ca 0.75 -0.15 -0.15 0.00 -0.52 0.00 0.00 52.55 52.49 1fag s ASP 432 Cb -0.74 -0.21 0.01 0.00 -1.46 0.00 0.00 42.92 40.52 1fag s ASP 432 CO 0.45 -0.27 0.30 -0.63 0.52 0.00 0.00 175.17 175.54 1fag s ILE 433 N 2.13 5.25 0.03 4.11 1.01 -1.26 0.11 121.20 132.58 1fag s ILE 433 Ca 0.04 -0.50 -0.26 0.00 0.00 0.00 0.00 60.65 59.94 1fag s ILE 433 Cb -0.13 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 1fag s ILE 433 CO -0.05 -0.23 0.80 -0.75 0.00 0.00 0.00 174.94 174.71 1fag s LYS 434 N 1.73 4.51 -0.15 2.79 2.20 0.15 -4.86 119.74 126.12 1fag s LYS 434 Ca 0.06 1.11 -0.03 0.00 -0.36 0.00 0.00 55.97 56.75 1fag s LYS 434 Cb -0.18 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 1fag s LYS 434 CO 0.10 0.20 -0.04 -1.21 -0.36 0.00 0.00 175.35 174.04 1fag s GLU 435 N 0.23 3.64 -0.36 4.03 2.02 -1.26 -2.08 118.70 124.92 1fag s GLU 435 Ca 0.41 -0.53 0.13 0.00 0.02 0.00 0.00 54.97 55.00 1fag s GLU 435 Cb -0.20 -2.89 0.37 0.00 0.10 0.00 0.00 34.13 31.50 1fag s GLU 435 CO 0.23 0.25 0.78 0.25 0.02 0.00 0.00 175.26 176.79 1fag n THR 436 N 3.50 0.02 0.00 3.63 -2.24 -1.26 -4.91 114.28 113.03 1fag n THR 436 Ca -0.17 -4.27 0.00 0.00 -2.27 0.00 0.00 64.05 57.34 1fag n THR 436 Cb 0.52 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 0.22 0.00 -4.85 3.22 4.77 -1.26 -4.76 117.00 114.34 1fag n LEU 437 Ca 0.22 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.89 1fag n LEU 437 Cb 0.69 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1fag n LEU 437 CO 0.22 0.00 0.71 0.42 -1.33 0.00 0.00 177.39 177.40 1fag s THR 438 N 0.00 4.52 0.09 -5.08 -4.23 -1.26 -4.64 115.64 105.04 1fag s THR 438 Ca 0.00 0.94 0.03 0.00 -1.18 0.00 0.00 61.69 61.48 1fag s THR 438 Cb 0.00 -3.74 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 1fag s THR 438 CO 0.00 -0.95 0.10 -0.76 -0.54 0.00 0.00 174.62 172.47 1fag s LEU 439 N -4.89 3.86 -0.28 4.79 1.43 -0.96 -4.34 118.68 118.29 1fag s LEU 439 Ca 0.57 0.00 -0.23 0.00 -1.03 0.00 0.00 54.13 53.45 1fag s LEU 439 Cb -0.11 -2.53 0.12 0.00 0.03 0.00 0.00 46.19 43.70 1fag s LEU 439 CO 0.47 0.16 1.00 -0.75 0.23 0.00 0.00 176.35 177.45 1fag s LYS 440 N -2.51 0.50 -0.15 1.70 2.20 -0.88 -4.71 119.74 115.89 1fag s LYS 440 Ca 0.30 0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 56.27 1fag s LYS 440 Cb -0.12 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.38 1fag s LYS 440 CO 0.23 -0.07 1.51 -1.25 -0.36 0.00 0.00 175.35 175.41 1fag s PRO 441 N 0.53 4.08 0.11 4.03 0.04 -1.26 0.34 135.00 142.86 1fag s PRO 441 Ca -0.00 1.84 -0.22 0.00 0.04 0.00 0.00 61.00 62.66 1fag s PRO 441 Cb -0.05 -3.93 -0.07 0.00 0.04 0.00 0.00 34.50 30.49 1fag s PRO 441 CO -0.08 -0.94 0.67 -2.00 0.04 0.00 0.00 177.00 174.68 1fag s GLU 442 N 4.06 4.38 -0.65 4.56 2.12 0.29 -4.06 118.70 129.40 1fag s GLU 442 Ca 0.66 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.93 1fag s GLU 442 Cb -0.27 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 30.87 1fag s GLU 442 CO 0.25 0.59 0.00 0.41 -0.54 0.00 0.00 175.26 175.97 1fag n GLY 443 N 1.70 0.76 3.65 -1.50 0.00 -1.26 -4.52 105.19 104.02 1fag n GLY 443 Ca -0.08 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.92 2.35 0.04 1.61 5.36 -1.26 -4.99 117.98 119.18 1fag s PHE 444 Ca 0.00 0.60 0.03 0.00 -0.96 0.00 0.00 56.93 56.60 1fag s PHE 444 Cb 0.00 -3.80 -0.02 0.00 -0.34 0.00 0.00 43.02 38.86 1fag s PHE 444 CO 0.00 -2.76 -0.09 0.14 -1.46 0.00 0.00 175.22 171.05 1fag s VAL 445 N 4.19 0.65 0.36 3.12 -7.23 -1.26 -1.33 120.40 118.89 1fag s VAL 445 Ca 0.65 -1.07 -0.04 0.00 -1.81 0.00 0.00 61.98 59.72 1fag s VAL 445 Cb -0.26 -0.69 0.01 0.00 0.56 0.00 0.00 36.38 36.00 1fag s VAL 445 CO 0.24 -0.31 0.52 0.68 -0.31 0.00 0.00 175.10 175.92 1fag s VAL 446 N -1.27 0.00 -0.08 1.32 -7.23 -0.73 -4.69 120.40 107.72 1fag s VAL 446 Ca -0.08 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1fag s VAL 446 Cb -0.09 -2.69 0.01 0.00 0.56 0.00 0.00 36.38 34.17 1fag s VAL 446 CO 0.01 0.00 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.13 1fag s LYS 447 N -2.89 1.83 -0.22 4.82 1.02 -0.50 0.30 119.74 124.10 1fag s LYS 447 Ca 0.29 -0.44 -0.04 0.00 0.02 0.00 0.00 55.97 55.79 1fag s LYS 447 Cb -0.01 -1.55 -0.01 0.00 -0.52 0.00 0.00 37.83 35.74 1fag s LYS 447 CO 0.20 -0.02 -0.03 0.00 -0.92 0.00 0.00 175.35 174.58 1fag s ALA 448 N 0.83 2.86 -0.26 5.17 0.00 -1.26 0.22 121.76 129.32 1fag s ALA 448 Ca -0.11 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 1fag s ALA 448 Cb -0.15 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.19 1fag s ALA 448 CO 0.02 -0.40 0.21 0.15 0.00 0.00 0.00 175.76 175.74 1fag s LYS 449 N 1.43 4.02 0.70 0.00 -0.14 0.09 -4.82 119.74 121.03 1fag s LYS 449 Ca 0.05 -0.23 -0.13 0.00 -1.36 0.00 0.00 55.97 54.31 1fag s LYS 449 Cb -0.14 -3.60 0.02 0.00 -1.68 0.00 0.00 37.83 32.43 1fag s LYS 449 CO -0.02 -0.08 1.09 -1.54 -0.76 0.00 0.00 175.35 174.04 1fag s SER 450 N 1.40 5.01 -0.22 2.83 1.04 -1.26 0.14 113.70 122.64 1fag s SER 450 Ca 0.09 1.84 0.08 0.00 0.48 0.00 0.00 55.95 58.43 1fag s SER 450 Cb -0.15 -2.53 0.56 0.00 0.10 0.00 0.00 66.02 64.01 1fag s SER 450 CO 0.08 -1.70 1.48 0.29 0.98 0.00 0.00 173.24 174.38 1fag n LYS 451 N -2.93 3.27 -4.16 4.02 5.02 0.18 -4.79 118.16 118.77 1fag n LYS 451 Ca 0.09 -2.26 -0.35 0.00 -2.02 0.00 0.00 58.31 53.77 1fag n LYS 451 Cb 0.53 -2.00 -0.06 0.00 -0.02 0.00 0.00 35.03 33.48 1fag n LYS 451 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1fag n LYS 452 N 0.11 -1.37 -3.70 1.97 4.81 -1.26 -4.91 118.16 113.82 1fag n LYS 452 Ca 0.27 0.15 -0.38 0.00 -0.87 0.00 0.00 58.31 57.48 1fag n LYS 452 Cb 1.06 -4.73 -0.12 0.00 0.02 0.00 0.00 35.03 31.26 1fag n LYS 452 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1fag s ILE 453 N -3.04 4.24 0.99 3.15 2.07 -1.26 -5.08 121.20 122.27 1fag s ILE 453 Ca 0.69 -0.68 -0.17 0.00 -1.41 0.00 0.00 60.65 59.07 1fag s ILE 453 Cb -0.40 -3.23 -0.11 0.00 0.13 0.00 0.00 42.46 38.85 1fag s ILE 453 CO 0.84 -0.00 -0.63 -2.65 -1.91 0.00 0.00 174.94 170.59 1fag n PRO 454 N 4.92 -0.09 0.00 3.50 -0.02 -1.26 -5.00 135.00 137.05 1fag n PRO 454 Ca -0.14 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1fag n PRO 454 Cb 0.48 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 1fag n PRO 454 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37