#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1flj n LYS 3 N 0.00 -4.99 -2.60 0.00 5.02 -1.26 -4.95 118.16 109.38 1flj n LYS 3 Ca 0.00 0.59 -0.39 0.00 -2.02 0.00 0.00 58.31 56.49 1flj n LYS 3 Cb 0.00 -5.23 -0.05 0.00 -0.02 0.00 0.00 35.03 29.73 1flj n LYS 3 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1flj s GLU 4 N -6.26 4.59 0.14 1.97 2.56 -1.26 -5.05 118.70 115.39 1flj s GLU 4 Ca 0.24 1.60 -0.01 0.00 0.00 0.00 0.00 54.97 56.80 1flj s GLU 4 Cb -0.12 -3.02 -0.04 0.00 2.00 0.00 0.00 34.13 32.95 1flj s GLU 4 CO 0.83 0.23 0.06 1.67 -0.56 0.00 0.00 175.26 177.48 1flj s TRP 5 N -1.34 0.93 0.00 5.30 1.48 -1.26 -5.02 118.94 119.03 1flj s TRP 5 Ca 0.47 -1.22 0.00 0.00 -1.06 0.00 0.00 56.10 54.29 1flj s TRP 5 Cb -0.26 -0.52 0.00 0.00 -1.16 0.00 0.00 33.47 31.53 1flj s TRP 5 CO 0.33 -0.49 0.00 0.41 -4.06 0.00 0.00 176.95 173.14 1flj n GLY 6 N -0.13 3.38 0.23 3.67 0.00 0.37 -5.03 105.19 107.68 1flj n GLY 6 Ca -0.05 -0.63 0.02 0.00 0.00 0.00 0.00 46.02 45.37 1flj n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1flj n TYR 7 N 0.00 0.10 -1.96 1.61 4.02 -1.26 -3.88 117.16 115.78 1flj n TYR 7 Ca 0.00 -0.24 -0.29 0.00 -0.01 0.00 0.00 57.90 57.36 1flj n TYR 7 Cb 0.00 -0.02 0.14 0.00 -0.02 0.00 0.00 39.34 39.44 1flj n TYR 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1flj s ALA 8 N -0.69 2.50 0.27 -0.72 0.00 -1.26 -4.67 121.76 117.20 1flj s ALA 8 Ca 0.08 -1.01 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 1flj s ALA 8 Cb 0.05 -2.80 0.39 0.00 0.00 0.00 0.00 23.12 20.75 1flj s ALA 8 CO 0.06 -2.06 1.77 1.03 0.00 0.00 0.00 175.76 176.57 1flj h SER 9 N -1.32 0.68 0.62 0.00 0.87 -1.96 0.32 113.55 112.75 1flj h SER 9 Ca -0.45 -0.17 -0.23 0.00 -1.23 0.00 0.00 61.79 59.72 1flj h SER 9 Cb 1.27 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 1flj h SER 9 CO 0.50 0.77 -1.02 1.12 -0.53 0.00 0.00 176.83 177.67 1flj h HIS 10 N 0.66 0.37 0.00 2.24 -0.00 -2.00 -3.38 115.15 113.04 1flj h HIS 10 Ca 0.13 -0.23 -0.03 0.00 -0.00 0.00 0.00 60.37 60.24 1flj h HIS 10 Cb 0.47 -0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 27.79 1flj h HIS 10 CO 0.02 1.10 -0.39 0.27 -0.00 0.00 0.00 177.93 178.93 1flj n ASN 11 N -3.59 1.55 -3.87 3.10 0.23 -1.20 -4.92 115.26 106.56 1flj n ASN 11 Ca -0.05 -3.00 -0.18 0.00 -0.53 0.00 0.00 54.58 50.82 1flj n ASN 11 Cb 0.90 -0.40 0.10 0.00 -2.08 0.00 0.00 39.78 38.30 1flj n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1flj n GLY 12 N -0.81 0.36 0.26 4.83 0.00 0.11 -0.48 105.19 109.47 1flj n GLY 12 Ca 0.13 -1.97 0.19 0.00 0.00 0.00 0.00 46.02 44.37 1flj n GLY 12 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1flj n PRO 13 N -2.52 -0.06 0.10 1.61 -0.02 -1.26 0.42 135.00 133.28 1flj n PRO 13 Ca 0.13 1.14 0.11 0.00 -2.02 0.00 0.00 63.50 62.85 1flj n PRO 13 Cb 0.45 -1.92 0.45 0.00 -0.02 0.00 0.00 33.50 32.46 1flj n PRO 13 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1flj n GLU 14 N -4.95 0.15 -0.00 -0.52 4.71 -1.26 -2.60 120.64 116.17 1flj n GLU 14 Ca 0.24 0.40 0.05 0.00 -0.01 0.00 0.00 57.16 57.85 1flj n GLU 14 Cb 0.82 -1.80 -0.06 0.00 -1.01 0.00 0.00 31.44 29.39 1flj n GLU 14 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1flj n HIS 15 N -2.09 0.00 -0.32 -0.32 8.25 0.17 -4.70 115.22 116.21 1flj n HIS 15 Ca 0.02 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.66 1flj n HIS 15 Cb 0.20 -0.02 0.42 0.00 1.12 0.00 0.00 29.99 31.72 1flj n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1flj h TRP 16 N 0.00 0.83 0.00 4.41 6.55 -1.24 0.11 115.95 126.61 1flj h TRP 16 Ca 0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 1flj h TRP 16 Cb 0.27 -0.25 0.00 0.00 -0.86 0.00 0.00 29.16 28.32 1flj h TRP 16 CO 0.00 0.15 0.11 1.12 -1.05 0.00 0.00 178.44 178.77 1flj h HIS 17 N 0.56 0.00 0.00 0.49 2.07 -1.79 0.71 115.15 117.19 1flj h HIS 17 Ca 0.57 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.09 1flj h HIS 17 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 1flj h HIS 17 CO -0.00 0.00 0.00 0.93 -3.07 0.00 0.00 177.93 175.79 1flj h GLU 18 N 0.00 0.00 0.00 5.12 5.08 -1.32 -3.19 114.58 120.27 1flj h GLU 18 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1flj h GLU 18 Cb 0.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1flj h GLU 18 CO 0.00 0.00 -1.85 1.28 -1.00 0.00 0.00 179.01 177.44 1flj n LEU 19 N -2.66 2.96 -3.70 1.33 4.77 0.12 -4.91 117.00 114.91 1flj n LEU 19 Ca 0.02 -0.08 -0.30 0.00 -0.03 0.00 0.00 56.01 55.63 1flj n LEU 19 Cb 0.31 -0.52 -0.15 0.00 -2.33 0.00 0.00 43.42 40.73 1flj n LEU 19 CO 0.25 0.75 -0.33 -0.31 -1.33 0.00 0.00 177.39 176.42 1flj s TYR 20 N -2.30 1.48 0.39 -1.77 1.51 -0.46 -5.02 117.35 111.18 1flj s TYR 20 Ca -0.20 -1.61 0.19 0.00 -1.01 0.00 0.00 57.07 54.44 1flj s TYR 20 Cb 0.05 -1.58 1.12 0.00 -0.11 0.00 0.00 41.96 41.44 1flj s TYR 20 CO 0.34 -0.87 1.74 -1.35 -1.11 0.00 0.00 175.55 174.30 1flj h PRO 21 N 8.12 0.36 0.00 -1.71 0.11 -1.82 -0.27 132.00 136.80 1flj h PRO 21 Ca -0.14 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1flj h PRO 21 Cb 1.01 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1flj h PRO 21 CO 0.47 0.24 0.09 0.97 -0.21 0.00 0.00 178.00 179.56 1flj h ILE 22 N 0.37 0.00 0.00 4.15 6.09 -1.89 -1.25 117.51 124.99 1flj h ILE 22 Ca 0.64 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.13 1flj h ILE 22 Cb 1.62 0.54 0.00 0.00 0.47 0.00 0.00 36.82 39.46 1flj h ILE 22 CO -0.36 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 174.72 1flj h ALA 23 N 1.77 1.00 -0.35 0.18 0.00 -1.33 0.51 119.26 121.05 1flj h ALA 23 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1flj h ALA 23 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1flj h ALA 23 CO 0.00 0.00 0.02 1.63 0.00 0.00 0.00 179.25 180.90 1flj n LYS 24 N -2.73 3.13 -0.44 0.00 4.01 -0.47 -4.89 118.16 116.77 1flj n LYS 24 Ca -0.02 -2.94 -0.16 0.00 -0.51 0.00 0.00 58.31 54.68 1flj n LYS 24 Cb 0.08 -1.93 0.14 0.00 -0.51 0.00 0.00 35.03 32.81 1flj n LYS 24 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1flj n GLY 25 N -0.40 -2.95 0.98 0.72 0.00 0.18 -4.97 105.19 98.74 1flj n GLY 25 Ca 0.25 -1.42 0.12 0.00 0.00 0.00 0.00 46.02 44.97 1flj n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1flj n ASP 26 N -4.13 3.03 -2.55 1.61 9.92 -1.26 -4.42 116.55 118.75 1flj n ASP 26 Ca 0.08 -1.98 -0.14 0.00 -0.53 0.00 0.00 54.79 52.21 1flj n ASP 26 Cb 0.31 -0.04 0.02 0.00 -0.64 0.00 0.00 41.12 40.78 1flj n ASP 26 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1flj n ASN 27 N 1.34 2.87 -4.87 -2.24 3.02 -1.26 -4.68 115.26 109.44 1flj n ASN 27 Ca 0.15 -3.00 -0.31 0.00 -0.03 0.00 0.00 54.58 51.39 1flj n ASN 27 Cb 0.59 -0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 39.24 1flj n ASN 27 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1flj s GLN 28 N -3.45 3.87 0.23 3.52 -1.52 -1.26 -2.49 119.66 118.56 1flj s GLN 28 Ca 0.36 0.49 0.11 0.00 -1.95 0.00 0.00 55.36 54.38 1flj s GLN 28 Cb 0.41 -2.46 -0.05 0.00 -0.22 0.00 0.00 33.01 30.69 1flj s GLN 28 CO -0.04 0.12 -0.22 -1.12 -0.25 0.00 0.00 175.29 173.78 1flj s SER 29 N -2.65 3.42 0.86 5.90 0.01 -1.26 -4.65 113.70 115.32 1flj s SER 29 Ca 0.51 -0.94 -0.08 0.00 1.31 0.00 0.00 55.95 56.76 1flj s SER 29 Cb -0.10 -0.26 0.16 0.00 0.21 0.00 0.00 66.02 66.02 1flj s SER 29 CO 0.24 0.07 0.99 -0.81 0.41 0.00 0.00 173.24 174.14 1flj n PRO 30 N -0.12 -0.60 -4.20 12.44 -0.04 -1.26 -4.54 135.00 136.68 1flj n PRO 30 Ca -0.09 -1.98 -0.12 0.00 -0.04 0.00 0.00 63.50 61.27 1flj n PRO 30 Cb 0.58 -0.88 -0.10 0.00 -0.04 0.00 0.00 33.50 33.05 1flj n PRO 30 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1flj s ILE 31 N -3.04 0.29 -0.12 0.52 -4.36 -1.26 -0.38 121.20 112.84 1flj s ILE 31 Ca 0.60 -1.96 -0.17 0.00 -0.26 0.00 0.00 60.65 58.86 1flj s ILE 31 Cb -0.02 -2.23 -0.04 0.00 1.25 0.00 0.00 42.46 41.41 1flj s ILE 31 CO 0.41 -0.32 0.44 -1.61 0.24 0.00 0.00 174.94 174.10 1flj s GLU 32 N -4.03 4.31 -0.34 0.37 2.02 -1.26 -3.47 118.70 116.30 1flj s GLU 32 Ca 0.29 0.38 -0.19 0.00 0.02 0.00 0.00 54.97 55.47 1flj s GLU 32 Cb 0.07 -3.43 -0.00 0.00 0.10 0.00 0.00 34.13 30.87 1flj s GLU 32 CO 0.06 0.19 0.58 -0.51 0.02 0.00 0.00 175.26 175.60 1flj s LEU 33 N 0.53 4.25 -0.12 1.80 1.02 0.24 -4.95 118.68 121.44 1flj s LEU 33 Ca 0.24 0.17 0.02 0.00 0.02 0.00 0.00 54.13 54.58 1flj s LEU 33 Cb -0.15 -2.71 -0.00 0.00 0.02 0.00 0.00 46.19 43.35 1flj s LEU 33 CO 0.09 -0.50 -0.20 -1.00 0.02 0.00 0.00 176.35 174.76 1flj s HIS 34 N 2.54 2.66 0.46 0.29 3.76 -1.26 0.05 115.29 123.79 1flj s HIS 34 Ca 0.22 -1.02 0.30 0.00 -0.15 0.00 0.00 55.06 54.41 1flj s HIS 34 Cb -0.15 -1.78 1.39 0.00 1.11 0.00 0.00 32.58 33.15 1flj s HIS 34 CO 0.13 -0.42 1.69 1.15 -0.85 0.00 0.00 174.74 176.44 1flj h THR 35 N 5.67 0.27 0.00 1.30 2.02 -1.97 0.13 112.91 120.33 1flj h THR 35 Ca -0.25 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1flj h THR 35 Cb 1.22 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1flj h THR 35 CO 0.52 0.03 -0.02 0.07 0.37 0.00 0.00 175.52 176.48 1flj h LYS 36 N 0.15 0.00 0.00 6.66 2.10 -2.02 -3.07 116.57 120.39 1flj h LYS 36 Ca 0.73 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 59.34 1flj h LYS 36 Cb 2.36 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 33.61 1flj h LYS 36 CO -0.27 0.02 -0.55 -0.40 -2.00 0.00 0.00 179.45 176.25 1flj n ASP 37 N -3.33 1.57 -4.77 7.07 5.75 0.45 -5.03 116.55 118.25 1flj n ASP 37 Ca -0.02 -3.33 -0.36 0.00 -0.01 0.00 0.00 54.79 51.07 1flj n ASP 37 Cb 0.12 -0.46 -0.08 0.00 -1.03 0.00 0.00 41.12 39.68 1flj n ASP 37 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1flj s ILE 38 N -2.38 5.07 -0.13 2.12 -1.09 -1.16 -3.85 121.20 119.77 1flj s ILE 38 Ca 0.35 0.05 0.03 0.00 -2.23 0.00 0.00 60.65 58.85 1flj s ILE 38 Cb 0.35 -3.22 0.01 0.00 -1.58 0.00 0.00 42.46 38.02 1flj s ILE 38 CO -0.08 0.57 -0.22 -0.13 -1.23 0.00 0.00 174.94 173.85 1flj s ARG 39 N -0.60 3.03 0.02 2.79 0.52 0.31 -4.97 118.95 120.03 1flj s ARG 39 Ca 0.12 -0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 54.17 1flj s ARG 39 Cb -0.12 -2.42 -0.06 0.00 0.52 0.00 0.00 34.95 32.87 1flj s ARG 39 CO 0.02 0.01 1.41 -1.58 0.02 0.00 0.00 175.30 175.19 1flj s HIS 40 N 0.75 2.87 -0.37 -0.53 5.65 -1.26 -1.14 115.29 121.26 1flj s HIS 40 Ca -0.09 0.81 -0.08 0.00 0.25 0.00 0.00 55.06 55.95 1flj s HIS 40 Cb -0.16 -3.68 0.05 0.00 -1.18 0.00 0.00 32.58 27.61 1flj s HIS 40 CO -0.00 -2.52 0.17 0.34 -0.65 0.00 0.00 174.74 172.08 1flj s ASP 41 N 1.83 5.47 0.61 9.88 3.68 -0.50 -4.87 116.67 132.77 1flj s ASP 41 Ca 0.64 -1.28 0.40 0.00 2.13 0.00 0.00 52.55 54.45 1flj s ASP 41 Cb -0.32 -1.92 2.03 0.00 -1.45 0.00 0.00 42.92 41.25 1flj s ASP 41 CO 0.27 -0.41 2.21 -0.65 0.13 0.00 0.00 175.17 176.73 1flj h PRO 42 N 8.30 0.00 0.00 4.34 0.11 -1.94 -2.29 132.00 140.52 1flj h PRO 42 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1flj h PRO 42 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1flj h PRO 42 CO 0.66 0.00 -0.40 0.77 -0.21 0.00 0.00 178.00 178.83 1flj h SER 43 N 0.00 0.00 -2.97 -2.05 0.02 -1.96 -3.47 113.55 103.13 1flj h SER 43 Ca 0.00 -0.11 -0.53 0.00 -0.84 0.00 0.00 61.79 60.31 1flj h SER 43 Cb 0.16 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.78 1flj h SER 43 CO 0.00 0.06 0.94 0.18 -1.14 0.00 0.00 176.83 176.86 1flj n LEU 44 N -2.28 4.17 -4.72 5.07 4.77 -0.86 -5.00 117.00 118.14 1flj n LEU 44 Ca 0.04 1.11 -0.24 0.00 -0.03 0.00 0.00 56.01 56.89 1flj n LEU 44 Cb 0.45 -1.58 -0.06 0.00 -2.33 0.00 0.00 43.42 39.90 1flj n LEU 44 CO 0.34 0.15 -0.27 -1.10 -1.33 0.00 0.00 177.39 175.19 1flj s GLN 45 N 0.28 2.59 0.69 3.23 -1.52 -1.26 -5.01 119.66 118.67 1flj s GLN 45 Ca 0.69 -1.16 -0.15 0.00 -1.95 0.00 0.00 55.36 52.79 1flj s GLN 45 Cb -0.51 -2.39 0.02 0.00 -0.22 0.00 0.00 33.01 29.91 1flj s GLN 45 CO 0.41 0.41 1.17 -2.14 -0.25 0.00 0.00 175.29 174.89 1flj s PRO 46 N -3.48 2.44 0.40 2.91 0.02 -1.26 -3.18 135.00 132.85 1flj s PRO 46 Ca 0.31 1.62 0.08 0.00 0.02 0.00 0.00 61.00 63.03 1flj s PRO 46 Cb -0.08 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1flj s PRO 46 CO 0.22 -1.57 0.21 1.67 -0.33 0.00 0.00 177.00 177.20 1flj s TRP 47 N -2.09 2.64 0.21 6.54 1.48 -1.26 -1.88 118.94 124.58 1flj s TRP 47 Ca 0.72 -0.54 -0.15 0.00 -1.06 0.00 0.00 56.10 55.07 1flj s TRP 47 Cb -0.26 -1.96 0.01 0.00 -1.16 0.00 0.00 33.47 30.11 1flj s TRP 47 CO 0.43 0.15 0.48 -1.54 -4.06 0.00 0.00 176.95 172.41 1flj s SER 48 N -3.94 -0.15 0.05 -2.66 1.04 -0.33 -4.90 113.70 102.81 1flj s SER 48 Ca 0.42 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1flj s SER 48 Cb 0.02 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 1flj s SER 48 CO 0.24 -1.08 -0.05 0.68 0.98 0.00 0.00 173.24 174.01 1flj s VAL 49 N -3.94 0.36 -0.38 5.02 -7.23 -1.26 -1.19 120.40 111.79 1flj s VAL 49 Ca 0.15 -1.31 0.01 0.00 -1.81 0.00 0.00 61.98 59.01 1flj s VAL 49 Cb -0.01 -0.86 0.14 0.00 0.56 0.00 0.00 36.38 36.22 1flj s VAL 49 CO 0.02 -0.63 0.22 -0.44 -0.31 0.00 0.00 175.10 173.97 1flj s SER 50 N -2.05 3.08 -0.15 4.85 0.01 0.29 -4.99 113.70 114.73 1flj s SER 50 Ca -0.05 -2.33 -0.09 0.00 1.31 0.00 0.00 55.95 54.79 1flj s SER 50 Cb -0.04 -0.55 -0.05 0.00 0.21 0.00 0.00 66.02 65.59 1flj s SER 50 CO -0.03 -0.29 0.17 -0.31 0.41 0.00 0.00 173.24 173.18 1flj s TYR 51 N 0.86 3.52 -0.35 2.43 4.12 -1.26 -0.82 117.35 125.84 1flj s TYR 51 Ca 0.18 0.49 -0.15 0.00 0.02 0.00 0.00 57.07 57.62 1flj s TYR 51 Cb -0.22 -2.09 -0.01 0.00 -1.52 0.00 0.00 41.96 38.12 1flj s TYR 51 CO 0.00 0.51 0.34 0.34 0.02 0.00 0.00 175.55 176.76 1flj s ASP 52 N -0.35 6.15 0.46 2.29 3.68 -1.26 -4.95 116.67 122.69 1flj s ASP 52 Ca 0.13 -0.35 0.19 0.00 2.13 0.00 0.00 52.55 54.65 1flj s ASP 52 Cb -0.12 -2.18 1.17 0.00 -1.45 0.00 0.00 42.92 40.33 1flj s ASP 52 CO 0.02 -0.34 1.93 -0.65 0.13 0.00 0.00 175.17 176.26 1flj h PRO 53 N 8.50 0.28 0.00 4.34 0.11 -1.96 -0.29 132.00 142.98 1flj h PRO 53 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1flj h PRO 53 Cb 1.14 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1flj h PRO 53 CO 0.69 0.19 0.00 0.41 -0.21 0.00 0.00 178.00 179.08 1flj n GLY 54 N -1.56 -1.13 0.08 -0.55 0.00 -1.26 -1.78 105.19 98.99 1flj n GLY 54 Ca 0.14 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1flj n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1flj n SER 55 N -1.41 0.66 -4.73 1.61 3.41 -0.12 -4.76 113.62 108.28 1flj n SER 55 Ca 0.07 0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 58.82 1flj n SER 55 Cb 0.21 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.42 1flj n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1flj s ALA 56 N -3.08 3.68 -0.02 7.33 0.00 -1.16 0.33 121.76 128.84 1flj s ALA 56 Ca 0.11 1.34 -0.01 0.00 0.00 0.00 0.00 51.96 53.40 1flj s ALA 56 Cb 0.14 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1flj s ALA 56 CO 0.59 -0.75 -0.03 1.63 0.00 0.00 0.00 175.76 177.20 1flj n LYS 57 N 3.01 0.04 -3.89 0.00 5.02 0.00 -4.41 118.16 117.94 1flj n LYS 57 Ca 0.10 0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.31 1flj n LYS 57 Cb 0.40 -0.58 -0.09 0.00 -0.02 0.00 0.00 35.03 34.74 1flj n LYS 57 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1flj s THR 58 N -2.04 0.12 -0.02 -0.18 2.01 -1.06 -1.43 115.64 113.04 1flj s THR 58 Ca -0.03 -0.99 0.06 0.00 0.31 0.00 0.00 61.69 61.05 1flj s THR 58 Cb 0.01 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 1flj s THR 58 CO 0.04 -0.54 -0.21 -0.51 -0.69 0.00 0.00 174.62 172.70 1flj s ILE 59 N -2.58 1.66 0.07 1.82 2.07 -0.28 0.20 121.20 124.17 1flj s ILE 59 Ca -0.05 -0.89 -0.09 0.00 -1.41 0.00 0.00 60.65 58.21 1flj s ILE 59 Cb -0.01 -1.39 -0.00 0.00 0.13 0.00 0.00 42.46 41.19 1flj s ILE 59 CO -0.04 0.47 0.19 -1.48 -1.91 0.00 0.00 174.94 172.17 1flj s LEU 60 N -0.38 1.41 -0.28 8.50 0.05 0.10 -1.57 118.68 126.52 1flj s LEU 60 Ca 0.05 -0.57 0.00 0.00 0.05 0.00 0.00 54.13 53.66 1flj s LEU 60 Cb -0.09 1.01 0.05 0.00 -2.05 0.00 0.00 46.19 45.11 1flj s LEU 60 CO 0.00 -0.68 -0.06 0.21 -0.55 0.00 0.00 176.35 175.28 1flj s ASN 61 N -2.65 4.63 -0.06 1.48 3.84 -0.76 -0.73 114.94 120.69 1flj s ASN 61 Ca 0.02 -1.28 0.19 0.00 0.21 0.00 0.00 52.86 52.00 1flj s ASN 61 Cb 0.03 -1.64 0.63 0.00 -0.55 0.00 0.00 41.25 39.73 1flj s ASN 61 CO -0.09 -0.22 1.54 -0.46 -2.79 0.00 0.00 177.10 175.08 1flj n ASN 62 N 4.55 4.17 0.00 -4.21 6.94 -1.16 0.24 115.26 125.78 1flj n ASN 62 Ca -0.14 -2.23 0.00 0.00 -0.02 0.00 0.00 54.58 52.19 1flj n ASN 62 Cb 0.43 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 1flj n ASN 62 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1flj n GLY 63 N 1.19 1.78 0.00 4.83 0.00 -1.26 -4.76 105.19 106.97 1flj n GLY 63 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1flj n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1flj n LYS 64 N -2.00 1.07 -3.53 1.61 4.01 -1.26 -4.68 118.16 113.38 1flj n LYS 64 Ca 0.00 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.82 1flj n LYS 64 Cb 0.00 -0.92 0.01 0.00 -0.51 0.00 0.00 35.03 33.61 1flj n LYS 64 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1flj n THR 65 N -1.40 0.00 -4.09 -0.18 5.66 -1.26 -4.85 114.28 108.16 1flj n THR 65 Ca 0.00 -0.12 -0.34 0.00 -3.05 0.00 0.00 64.05 60.54 1flj n THR 65 Cb 0.00 0.45 -0.15 0.00 -1.55 0.00 0.00 70.33 69.08 1flj n THR 65 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1flj s ARG 67 N 1.29 2.53 -0.20 0.00 3.52 0.09 -3.61 118.95 122.56 1flj s ARG 67 Ca 0.03 -0.87 -0.07 0.00 -0.13 0.00 0.00 55.73 54.70 1flj s ARG 67 Cb -0.14 -2.20 -0.04 0.00 -1.56 0.00 0.00 34.95 31.01 1flj s ARG 67 CO -0.05 0.43 0.06 0.08 -0.81 0.00 0.00 175.30 175.01 1flj s VAL 68 N -0.28 4.58 -0.12 7.11 1.01 -0.40 0.03 120.40 132.32 1flj s VAL 68 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 1flj s VAL 68 Cb -0.13 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1flj s VAL 68 CO 0.03 0.42 0.04 -0.69 0.00 0.00 0.00 175.10 174.89 1flj s VAL 69 N 0.75 4.59 0.22 2.92 1.01 0.13 -1.94 120.40 128.08 1flj s VAL 69 Ca 0.03 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 61.97 1flj s VAL 69 Cb -0.13 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1flj s VAL 69 CO 0.02 0.57 -0.04 -0.36 0.00 0.00 0.00 175.10 175.29 1flj s PHE 70 N -0.53 2.70 -0.43 5.22 0.40 0.07 -0.82 117.98 124.59 1flj s PHE 70 Ca 0.10 -0.20 -0.29 0.00 -0.60 0.00 0.00 56.93 55.94 1flj s PHE 70 Cb -0.12 -1.26 0.02 0.00 0.51 0.00 0.00 43.02 42.17 1flj s PHE 70 CO 0.02 0.56 1.26 0.34 0.70 0.00 0.00 175.22 178.10 1flj s ASP 71 N -3.22 6.52 -0.25 1.36 3.68 0.15 -4.85 116.67 120.06 1flj s ASP 71 Ca 0.28 0.68 0.10 0.00 2.13 0.00 0.00 52.55 55.74 1flj s ASP 71 Cb -0.08 -2.54 0.45 0.00 -1.45 0.00 0.00 42.92 39.30 1flj s ASP 71 CO 0.18 -1.30 1.31 -0.90 0.13 0.00 0.00 175.17 174.58 1flj n ASP 72 N 8.20 2.37 0.23 -0.34 3.85 -1.26 -4.70 116.55 124.90 1flj n ASP 72 Ca 0.14 -3.86 0.12 0.00 -0.71 0.00 0.00 54.79 50.48 1flj n ASP 72 Cb 0.48 -0.55 0.37 0.00 -1.35 0.00 0.00 41.12 40.07 1flj n ASP 72 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1flj h THR 73 N 1.13 0.20 -3.94 2.12 1.35 -1.96 -3.46 112.91 108.35 1flj h THR 73 Ca 0.12 -1.01 -0.16 0.00 -0.55 0.00 0.00 66.41 64.81 1flj h THR 73 Cb 1.26 1.85 -0.09 0.00 -1.73 0.00 0.00 68.15 69.45 1flj h THR 73 CO 0.23 0.10 -0.20 0.72 -0.25 0.00 0.00 175.52 176.12 1flj s PHE 74 N -3.41 0.73 -0.77 4.73 -0.12 -1.26 -5.09 117.98 112.79 1flj s PHE 74 Ca 0.04 -1.03 -0.25 0.00 -0.05 0.00 0.00 56.93 55.63 1flj s PHE 74 Cb 0.07 0.00 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 1flj s PHE 74 CO 0.63 -1.02 1.94 -0.51 -0.05 0.00 0.00 175.22 176.21 1flj s ASP 75 N -3.12 5.13 -0.07 1.98 1.01 -1.26 -4.68 116.67 115.65 1flj s ASP 75 Ca 0.28 -0.19 -0.05 0.00 0.71 0.00 0.00 52.55 53.29 1flj s ASP 75 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1flj s ASP 75 CO 0.14 -2.64 -0.13 0.54 0.21 0.00 0.00 175.17 173.29 1flj n ARG 76 N 8.99 0.21 -4.07 8.23 1.74 -1.26 -4.97 116.66 125.53 1flj n ARG 76 Ca 0.32 0.09 -0.32 0.00 -0.77 0.00 0.00 57.85 57.17 1flj n ARG 76 Cb 0.49 -0.85 -0.15 0.00 -1.02 0.00 0.00 32.46 30.93 1flj n ARG 76 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1flj s SER 77 N -5.93 4.41 0.10 0.55 0.01 -1.26 -4.01 113.70 107.58 1flj s SER 77 Ca -0.13 -1.38 0.09 0.00 1.31 0.00 0.00 55.95 55.84 1flj s SER 77 Cb 0.04 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.69 1flj s SER 77 CO 0.17 -0.19 -0.22 -0.04 0.41 0.00 0.00 173.24 173.38 1flj s MET 78 N 1.11 1.73 -0.10 12.44 -1.94 -0.01 -0.95 119.30 131.58 1flj s MET 78 Ca -0.09 -1.18 0.02 0.00 -1.71 0.00 0.00 55.69 52.73 1flj s MET 78 Cb -0.20 -2.05 -0.02 0.00 2.01 0.00 0.00 34.83 34.58 1flj s MET 78 CO -0.05 0.49 -0.16 -1.17 -0.01 0.00 0.00 175.02 174.12 1flj s LEU 79 N -1.89 2.59 0.11 -0.03 2.96 0.14 -0.55 118.68 122.00 1flj s LEU 79 Ca 0.16 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1flj s LEU 79 Cb -0.10 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 1flj s LEU 79 CO 0.07 0.21 0.04 -0.13 -1.32 0.00 0.00 176.35 175.22 1flj s ARG 80 N 0.07 0.85 2.22 1.98 0.52 -0.33 -0.17 118.95 124.08 1flj s ARG 80 Ca -0.06 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 53.77 1flj s ARG 80 Cb -0.15 0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.56 1flj s ARG 80 CO 0.05 -0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.55 1flj n GLY 81 N -0.04 -1.24 7.00 -3.53 0.00 -1.26 -1.19 105.19 104.93 1flj n GLY 81 Ca -0.08 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1flj n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1flj n GLY 82 N 0.00 2.69 0.18 -0.02 0.00 -0.79 -2.04 105.19 105.22 1flj n GLY 82 Ca 0.00 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.75 1flj n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1flj n PRO 83 N 13.70 1.25 -2.58 1.61 -0.04 -1.26 -4.42 135.00 143.27 1flj n PRO 83 Ca 0.00 -0.37 -0.36 0.00 -0.04 0.00 0.00 63.50 62.73 1flj n PRO 83 Cb 0.00 -1.46 -0.04 0.00 -0.04 0.00 0.00 33.50 31.95 1flj n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1flj s LEU 84 N -1.93 4.07 0.11 1.53 1.43 -0.87 -4.99 118.68 118.03 1flj s LEU 84 Ca 0.42 1.97 0.25 0.00 -1.03 0.00 0.00 54.13 55.74 1flj s LEU 84 Cb 0.20 -4.29 0.57 0.00 0.03 0.00 0.00 46.19 42.70 1flj s LEU 84 CO 0.33 -0.52 1.50 -1.54 0.23 0.00 0.00 176.35 176.35 1flj n SER 85 N -0.29 0.63 -3.39 2.29 3.41 -1.26 -4.66 113.62 110.35 1flj n SER 85 Ca 0.06 0.22 -0.03 0.00 -0.26 0.00 0.00 58.87 58.85 1flj n SER 85 Cb 0.51 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.35 1flj n SER 85 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1flj s GLY 86 N -3.48 0.09 0.43 5.00 0.00 -1.26 -5.10 107.32 103.00 1flj s GLY 86 Ca 0.09 -0.30 -0.23 0.00 0.00 0.00 0.00 44.72 44.27 1flj s GLY 86 CO 0.67 2.34 1.09 -4.14 0.00 0.00 0.00 173.10 173.06 1flj s PRO 87 N -2.22 3.97 0.00 2.90 0.02 -1.26 -4.69 135.00 133.72 1flj s PRO 87 Ca 0.21 1.59 0.07 0.00 0.02 0.00 0.00 61.00 62.90 1flj s PRO 87 Cb -0.02 -2.44 -0.03 0.00 0.02 0.00 0.00 34.50 32.03 1flj s PRO 87 CO 0.05 -0.33 -0.22 0.71 -0.33 0.00 0.00 177.00 176.88 1flj s TYR 88 N -1.65 2.45 -0.03 6.54 4.12 0.76 -4.39 117.35 125.14 1flj s TYR 88 Ca 0.61 -0.34 -0.21 0.00 0.02 0.00 0.00 57.07 57.15 1flj s TYR 88 Cb -0.24 -1.49 -0.05 0.00 -1.52 0.00 0.00 41.96 38.66 1flj s TYR 88 CO 0.29 0.11 0.62 1.03 0.02 0.00 0.00 175.55 177.62 1flj s ARG 89 N -0.97 4.36 -0.08 -0.62 0.52 0.25 -0.69 118.95 121.72 1flj s ARG 89 Ca 0.12 0.76 -0.30 0.00 -0.52 0.00 0.00 55.73 55.79 1flj s ARG 89 Cb -0.10 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.96 1flj s ARG 89 CO 0.01 0.28 1.29 -1.17 0.02 0.00 0.00 175.30 175.73 1flj s LEU 90 N 0.12 4.26 -0.26 2.53 2.96 -0.12 -1.06 118.68 127.10 1flj s LEU 90 Ca 0.32 1.86 -0.11 0.00 -0.22 0.00 0.00 54.13 55.99 1flj s LEU 90 Cb -0.18 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 42.82 1flj s LEU 90 CO 0.17 -0.69 -0.26 -1.14 -1.32 0.00 0.00 176.35 173.11 1flj n ARG 91 N 5.79 0.61 -3.73 1.98 0.63 0.74 -4.55 116.66 118.12 1flj n ARG 91 Ca 0.13 0.26 -0.02 0.00 -0.92 0.00 0.00 57.85 57.29 1flj n ARG 91 Cb 0.45 -1.52 -0.01 0.00 0.45 0.00 0.00 32.46 31.83 1flj n ARG 91 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1flj s GLN 92 N -2.50 1.01 0.03 -0.14 1.03 -1.08 -0.75 119.66 117.26 1flj s GLN 92 Ca -0.37 -0.57 0.00 0.00 0.04 0.00 0.00 55.36 54.47 1flj s GLN 92 Cb 0.13 0.34 -0.03 0.00 0.03 0.00 0.00 33.01 33.48 1flj s GLN 92 CO 0.53 -0.46 -0.04 -0.59 -2.54 0.00 0.00 175.29 172.19 1flj s PHE 93 N -3.04 0.42 0.30 9.60 -0.71 -0.82 0.35 117.98 124.08 1flj s PHE 93 Ca 0.13 -0.64 -0.11 0.00 -1.04 0.00 0.00 56.93 55.27 1flj s PHE 93 Cb 0.00 -0.28 0.01 0.00 -1.21 0.00 0.00 43.02 41.53 1flj s PHE 93 CO 0.01 -0.20 0.53 -3.38 -1.34 0.00 0.00 175.22 170.84 1flj s HIS 94 N -2.02 0.50 0.16 3.49 -3.43 -0.70 -1.28 115.29 112.02 1flj s HIS 94 Ca -0.09 -0.87 0.07 0.00 -0.80 0.00 0.00 55.06 53.36 1flj s HIS 94 Cb -0.06 0.23 -0.04 0.00 -1.43 0.00 0.00 32.58 31.28 1flj s HIS 94 CO -0.03 -1.13 -0.14 -0.51 -2.00 0.00 0.00 174.74 170.93 1flj s LEU 95 N -3.08 2.48 -0.04 5.38 2.01 -1.24 -1.01 118.68 123.18 1flj s LEU 95 Ca 0.23 -0.92 0.05 0.00 0.01 0.00 0.00 54.13 53.50 1flj s LEU 95 Cb -0.01 -0.61 -0.01 0.00 0.01 0.00 0.00 46.19 45.57 1flj s LEU 95 CO 0.12 -0.16 -0.18 -1.00 1.01 0.00 0.00 176.35 176.14 1flj s HIS 96 N -2.59 1.77 0.12 0.29 3.76 -0.31 -4.60 115.29 113.72 1flj s HIS 96 Ca 0.16 -0.46 -0.11 0.00 -0.15 0.00 0.00 55.06 54.50 1flj s HIS 96 Cb -0.02 -1.17 0.01 0.00 1.11 0.00 0.00 32.58 32.50 1flj s HIS 96 CO 0.05 -0.13 0.27 1.67 -0.85 0.00 0.00 174.74 175.74 1flj s TRP 97 N -0.11 0.12 0.41 1.40 -2.14 -1.23 -1.16 118.94 116.23 1flj s TRP 97 Ca -0.01 -0.51 0.06 0.00 2.66 0.00 0.00 56.10 58.30 1flj s TRP 97 Cb -0.11 0.02 0.07 0.00 -3.10 0.00 0.00 33.47 30.36 1flj s TRP 97 CO 0.02 -0.63 0.56 0.41 -2.66 0.00 0.00 176.95 174.65 1flj n GLY 98 N -0.14 1.77 0.08 3.67 0.00 -1.24 -1.26 105.19 108.08 1flj n GLY 98 Ca -0.13 -2.17 0.13 0.00 0.00 0.00 0.00 46.02 43.85 1flj n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1flj n SER 99 N -2.60 0.66 -3.77 1.61 3.41 -1.26 -4.29 113.62 107.37 1flj n SER 99 Ca 0.11 0.49 -0.10 0.00 -0.26 0.00 0.00 58.87 59.12 1flj n SER 99 Cb 0.41 -0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 63.70 1flj n SER 99 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1flj s SER 100 N -4.20 -0.19 0.47 4.04 1.04 -1.26 -5.04 113.70 108.56 1flj s SER 100 Ca 0.11 -0.54 0.30 0.00 0.48 0.00 0.00 55.95 56.29 1flj s SER 100 Cb 0.14 0.53 1.63 0.00 0.10 0.00 0.00 66.02 68.42 1flj s SER 100 CO 0.60 -0.99 1.91 0.44 0.98 0.00 0.00 173.24 176.18 1flj h ASP 101 N 2.29 0.00 -0.02 7.02 3.45 -1.92 -3.10 116.42 124.14 1flj h ASP 101 Ca -0.30 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.16 1flj h ASP 101 Cb 1.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 1flj h ASP 101 CO 0.41 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 177.18 1flj n ASP 102 N -2.58 0.28 -2.43 6.45 3.85 -1.26 -4.20 116.55 116.66 1flj n ASP 102 Ca -0.02 -1.37 -0.05 0.00 -0.71 0.00 0.00 54.79 52.64 1flj n ASP 102 Cb 0.09 -0.01 0.02 0.00 -1.35 0.00 0.00 41.12 39.86 1flj n ASP 102 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1flj n HIS 103 N -0.65 -1.75 0.00 2.11 1.44 -1.17 -4.83 115.22 110.37 1flj n HIS 103 Ca 0.17 -1.24 0.00 0.00 -2.01 0.00 0.00 57.72 54.64 1flj n HIS 103 Cb 0.12 0.62 0.00 0.00 0.12 0.00 0.00 29.99 30.85 1flj n HIS 103 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1flj n GLY 104 N -0.44 2.53 3.79 -1.39 0.00 -0.81 -3.76 105.19 105.10 1flj n GLY 104 Ca -0.05 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 1flj n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1flj s SER 105 N 0.00 4.73 -0.20 1.61 1.04 -0.06 -3.57 113.70 117.25 1flj s SER 105 Ca 0.00 1.66 -0.15 0.00 0.48 0.00 0.00 55.95 57.94 1flj s SER 105 Cb 0.00 -2.43 -0.19 0.00 0.10 0.00 0.00 66.02 63.50 1flj s SER 105 CO 0.00 -1.87 0.11 -0.62 0.98 0.00 0.00 173.24 171.84 1flj n GLU 106 N -3.40 0.63 -2.81 4.02 1.02 -1.26 -4.85 120.64 113.98 1flj n GLU 106 Ca 0.08 0.41 -0.32 0.00 -0.02 0.00 0.00 57.16 57.30 1flj n GLU 106 Cb 0.54 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 30.23 1flj n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1flj s HIS 107 N -2.45 3.37 0.00 -0.32 3.76 -1.26 -4.58 115.29 113.81 1flj s HIS 107 Ca -0.30 1.45 0.04 0.00 -0.15 0.00 0.00 55.06 56.10 1flj s HIS 107 Cb 0.08 -2.73 -0.01 0.00 1.11 0.00 0.00 32.58 31.02 1flj s HIS 107 CO 0.62 -0.12 -0.13 0.95 -0.85 0.00 0.00 174.74 175.21 1flj s THR 108 N -2.24 1.06 -0.20 1.30 -4.23 -1.23 -4.69 115.64 105.41 1flj s THR 108 Ca 0.59 -0.70 -0.01 0.00 -1.18 0.00 0.00 61.69 60.39 1flj s THR 108 Cb -0.10 -0.91 0.01 0.00 1.34 0.00 0.00 72.50 72.84 1flj s THR 108 CO 0.19 0.21 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.67 1flj s VAL 109 N -0.47 2.68 -1.42 2.29 1.01 -0.78 0.80 120.40 124.51 1flj s VAL 109 Ca 0.04 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 1flj s VAL 109 Cb -0.06 -2.19 0.08 0.00 0.00 0.00 0.00 36.38 34.21 1flj s VAL 109 CO 0.00 0.46 0.65 0.47 0.00 0.00 0.00 175.10 176.68 1flj n ASP 110 N 4.70 -4.06 0.00 3.32 10.43 0.11 -1.22 116.55 129.82 1flj n ASP 110 Ca -0.19 -0.55 0.00 0.00 2.57 0.00 0.00 54.79 56.61 1flj n ASP 110 Cb 0.50 -3.32 0.00 0.00 1.84 0.00 0.00 41.12 40.14 1flj n ASP 110 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1flj n GLY 111 N -1.34 0.72 3.59 0.44 0.00 -1.26 -5.05 105.19 102.30 1flj n GLY 111 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1flj n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1flj s VAL 112 N -2.63 3.84 0.20 1.61 1.01 -0.35 -5.12 120.40 118.95 1flj s VAL 112 Ca 0.00 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.65 1flj s VAL 112 Cb 0.00 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1flj s VAL 112 CO 0.00 0.59 -0.08 -0.54 0.00 0.00 0.00 175.10 175.06 1flj s LYS 113 N -0.70 2.08 0.44 2.72 1.02 -1.26 -1.86 119.74 122.19 1flj s LYS 113 Ca 0.11 -1.31 0.07 0.00 0.02 0.00 0.00 55.97 54.87 1flj s LYS 113 Cb -0.11 -2.15 -0.01 0.00 -0.52 0.00 0.00 37.83 35.04 1flj s LYS 113 CO 0.02 0.42 0.39 0.71 -0.92 0.00 0.00 175.35 175.97 1flj s TYR 114 N -1.82 2.52 0.37 3.18 1.51 -1.26 -4.78 117.35 117.07 1flj s TYR 114 Ca 0.26 -0.55 0.21 0.00 -1.01 0.00 0.00 57.07 55.98 1flj s TYR 114 Cb -0.08 -2.13 1.12 0.00 -0.11 0.00 0.00 41.96 40.76 1flj s TYR 114 CO 0.16 -0.19 1.96 0.00 -1.11 0.00 0.00 175.55 176.37 1flj h ALA 115 N 0.98 1.33 -2.61 3.71 0.00 -1.48 0.04 119.26 121.24 1flj h ALA 115 Ca -0.40 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.42 1flj h ALA 115 Cb 1.27 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 1flj h ALA 115 CO 0.57 0.27 0.38 0.00 0.00 0.00 0.00 179.25 180.46 1flj s ALA 116 N -4.18 -1.55 -0.04 0.00 0.00 -1.21 -3.60 121.76 111.18 1flj s ALA 116 Ca -0.03 0.19 -0.00 0.00 0.00 0.00 0.00 51.96 52.12 1flj s ALA 116 Cb 0.13 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.98 1flj s ALA 116 CO 0.64 -0.95 0.00 -2.00 0.00 0.00 0.00 175.76 173.46 1flj s GLU 117 N -3.50 0.37 -0.20 0.00 2.12 -0.31 -1.03 118.70 116.15 1flj s GLU 117 Ca 0.09 0.11 -0.11 0.00 0.36 0.00 0.00 54.97 55.42 1flj s GLU 117 Cb -0.03 -0.64 -0.05 0.00 0.26 0.00 0.00 34.13 33.68 1flj s GLU 117 CO -0.00 -0.20 0.17 -1.17 -0.54 0.00 0.00 175.26 173.52 1flj s LEU 118 N 1.40 4.20 -0.24 2.70 2.96 0.17 -1.17 118.68 128.70 1flj s LEU 118 Ca -0.04 0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 54.13 1flj s LEU 118 Cb -0.13 -2.15 0.03 0.00 0.50 0.00 0.00 46.19 44.43 1flj s LEU 118 CO -0.03 0.14 -0.09 -1.00 -1.32 0.00 0.00 176.35 174.06 1flj s HIS 119 N 0.51 3.05 -0.39 5.38 3.76 -0.18 -0.98 115.29 126.43 1flj s HIS 119 Ca 0.10 -1.65 -0.15 0.00 -0.15 0.00 0.00 55.06 53.21 1flj s HIS 119 Cb -0.12 -2.02 0.01 0.00 1.11 0.00 0.00 32.58 31.56 1flj s HIS 119 CO 0.00 -0.76 0.31 -0.51 -0.85 0.00 0.00 174.74 172.93 1flj s LEU 120 N 1.30 4.92 -0.23 0.89 1.02 -0.47 -1.72 118.68 124.38 1flj s LEU 120 Ca -0.00 -0.73 -0.18 0.00 0.02 0.00 0.00 54.13 53.24 1flj s LEU 120 Cb -0.16 -2.19 -0.03 0.00 0.02 0.00 0.00 46.19 43.82 1flj s LEU 120 CO -0.06 -0.41 0.51 -0.69 0.02 0.00 0.00 176.35 175.72 1flj s VAL 121 N 1.76 5.09 0.24 -1.59 1.01 0.15 -1.87 120.40 125.19 1flj s VAL 121 Ca 0.06 0.91 0.12 0.00 0.00 0.00 0.00 61.98 63.07 1flj s VAL 121 Cb -0.18 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1flj s VAL 121 CO 0.11 0.13 -0.22 -1.00 0.00 0.00 0.00 175.10 174.12 1flj s HIS 122 N 2.01 2.27 0.05 5.22 3.76 -0.06 -0.19 115.29 128.35 1flj s HIS 122 Ca 0.22 -0.35 0.01 0.00 -0.15 0.00 0.00 55.06 54.79 1flj s HIS 122 Cb -0.15 -1.05 -0.03 0.00 1.11 0.00 0.00 32.58 32.46 1flj s HIS 122 CO 0.09 0.60 -0.06 1.67 -0.85 0.00 0.00 174.74 176.20 1flj s TRP 123 N -2.12 0.56 -0.45 1.40 1.48 -0.23 -1.06 118.94 118.53 1flj s TRP 123 Ca 0.25 -0.65 -0.28 0.00 -1.06 0.00 0.00 56.10 54.36 1flj s TRP 123 Cb -0.06 -0.35 0.03 0.00 -1.16 0.00 0.00 33.47 31.92 1flj s TRP 123 CO 0.12 -0.17 1.09 1.21 -4.06 0.00 0.00 176.95 175.15 1flj s ASN 124 N -1.95 6.67 0.03 -2.66 3.84 -0.41 -0.58 114.94 119.88 1flj s ASN 124 Ca -0.06 0.53 0.09 0.00 0.21 0.00 0.00 52.86 53.62 1flj s ASN 124 Cb -0.05 -2.53 0.39 0.00 -0.55 0.00 0.00 41.25 38.50 1flj s ASN 124 CO -0.02 -1.15 1.28 -0.81 -2.79 0.00 0.00 177.10 173.60 1flj n PRO 125 N 7.56 0.02 0.30 0.43 -0.04 -1.26 -1.96 135.00 140.05 1flj n PRO 125 Ca 0.11 0.39 0.19 0.00 -0.04 0.00 0.00 63.50 64.15 1flj n PRO 125 Cb 0.49 -1.54 0.86 0.00 -0.04 0.00 0.00 33.50 33.26 1flj n PRO 125 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1flj h LYS 127 N 0.00 0.00 -0.18 0.54 2.10 -1.91 -1.72 116.57 115.39 1flj h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1flj h LYS 127 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1flj h LYS 127 CO 0.00 0.01 0.00 0.66 -2.00 0.00 0.00 179.45 178.12 1flj n TYR 128 N -3.12 0.22 0.00 0.07 0.53 -0.83 -4.95 117.16 109.09 1flj n TYR 128 Ca -0.01 -0.11 0.00 0.00 -1.02 0.00 0.00 57.90 56.77 1flj n TYR 128 Cb 0.23 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 38.53 1flj n TYR 128 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1flj n ASN 129 N -0.03 0.00 -4.25 7.72 5.15 -0.65 -4.40 115.26 118.81 1flj n ASN 129 Ca 0.05 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.89 1flj n ASN 129 Cb 0.14 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.29 1flj n ASN 129 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1flj s THR 130 N 0.00 1.06 0.21 -0.44 -4.23 -1.26 -5.02 115.64 105.96 1flj s THR 130 Ca 0.00 -2.04 -0.09 0.00 -1.18 0.00 0.00 61.69 58.39 1flj s THR 130 Cb 0.00 -1.89 0.16 0.00 1.34 0.00 0.00 72.50 72.11 1flj s THR 130 CO 0.00 -0.71 1.81 0.15 -0.54 0.00 0.00 174.62 175.33 1flj h PHE 131 N 2.77 1.12 -0.49 3.99 3.04 -1.94 -1.69 116.94 123.75 1flj h PHE 131 Ca -0.37 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.53 1flj h PHE 131 Cb 1.19 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 39.32 1flj h PHE 131 CO 0.63 0.81 0.26 0.78 -2.02 0.00 0.00 178.31 178.76 1flj h GLY 132 N 1.11 0.72 1.11 2.40 0.00 -1.96 -2.03 103.07 104.43 1flj h GLY 132 Ca 0.27 -0.31 -0.21 0.00 0.00 0.00 0.00 47.33 47.09 1flj h GLY 132 CO -0.04 0.30 -0.74 0.83 0.00 0.00 0.00 176.54 176.89 1flj h GLU 133 N 0.68 0.74 -0.45 4.80 4.39 -1.69 -3.21 114.58 119.84 1flj h GLU 133 Ca 0.17 -0.61 0.06 0.00 0.34 0.00 0.00 59.36 59.32 1flj h GLU 133 Cb 0.03 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1flj h GLU 133 CO -0.03 1.22 0.30 0.00 -1.16 0.00 0.00 179.01 179.35 1flj h ALA 134 N 0.52 1.94 0.00 3.43 0.00 -0.75 -1.15 119.26 123.26 1flj h ALA 134 Ca -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1flj h ALA 134 Cb 1.37 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1flj h ALA 134 CO 0.15 -0.02 -0.00 -0.07 0.00 0.00 0.00 179.25 179.31 1flj h LEU 135 N 0.38 0.00 -0.47 0.00 3.38 -1.38 -0.73 115.31 116.48 1flj h LEU 135 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1flj h LEU 135 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1flj h LEU 135 CO -0.05 0.00 -0.22 0.29 0.09 0.00 0.00 178.44 178.56 1flj n LYS 136 N -3.30 0.86 -3.86 1.13 5.02 -0.43 -4.66 118.16 112.91 1flj n LYS 136 Ca -0.03 -0.47 -0.35 0.00 -2.02 0.00 0.00 58.31 55.43 1flj n LYS 136 Cb 0.09 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 1flj n LYS 136 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1flj s GLN 137 N -2.47 3.47 0.59 1.97 -1.52 -0.28 -4.98 119.66 116.45 1flj s GLN 137 Ca 0.26 -0.18 0.30 0.00 -1.95 0.00 0.00 55.36 53.79 1flj s GLN 137 Cb 0.19 -3.14 1.74 0.00 -0.22 0.00 0.00 33.01 31.58 1flj s GLN 137 CO 0.50 0.72 2.16 -1.35 -0.25 0.00 0.00 175.29 177.08 1flj h PRO 138 N 4.41 0.00 0.00 2.91 0.11 -1.86 -1.94 132.00 135.63 1flj h PRO 138 Ca -0.52 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1flj h PRO 138 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1flj h PRO 138 CO 0.63 0.00 -0.33 -0.40 -0.21 0.00 0.00 178.00 177.69 1flj n ASP 139 N -3.79 1.70 0.23 -2.05 3.85 -1.26 -3.96 116.55 111.27 1flj n ASP 139 Ca -0.00 -3.11 0.06 0.00 -0.71 0.00 0.00 54.79 51.03 1flj n ASP 139 Cb 0.22 -0.42 0.54 0.00 -1.35 0.00 0.00 41.12 40.11 1flj n ASP 139 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1flj h GLY 140 N 0.42 0.00 -4.32 6.12 0.00 -1.23 -3.44 103.07 100.61 1flj h GLY 140 Ca -0.02 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.73 1flj h GLY 140 CO 0.01 0.00 -0.84 -0.42 0.00 0.00 0.00 176.54 175.29 1flj s ILE 141 N -4.54 1.74 -0.08 2.60 1.09 -0.53 -1.29 121.20 120.20 1flj s ILE 141 Ca -0.04 -1.39 0.01 0.00 -1.10 0.00 0.00 60.65 58.14 1flj s ILE 141 Cb 0.15 -1.54 0.02 0.00 -1.06 0.00 0.00 42.46 40.03 1flj s ILE 141 CO 0.68 0.09 -0.09 0.00 -0.10 0.00 0.00 174.94 175.52 1flj s ALA 142 N -0.97 1.22 -0.14 9.38 0.00 -0.22 -1.31 121.76 129.71 1flj s ALA 142 Ca 0.08 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1flj s ALA 142 Cb -0.09 -0.69 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 1flj s ALA 142 CO 0.03 -0.12 -0.17 0.08 0.00 0.00 0.00 175.76 175.58 1flj s VAL 143 N 1.13 2.56 -0.35 0.00 1.01 -0.84 -0.88 120.40 123.03 1flj s VAL 143 Ca -0.06 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 1flj s VAL 143 Cb -0.14 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 1flj s VAL 143 CO -0.02 0.53 0.51 -0.69 0.00 0.00 0.00 175.10 175.43 1flj s VAL 144 N 0.70 5.02 -0.16 2.92 1.01 -0.78 -0.74 120.40 128.35 1flj s VAL 144 Ca -0.08 0.36 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 1flj s VAL 144 Cb -0.16 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1flj s VAL 144 CO 0.02 -0.21 0.06 -0.83 0.00 0.00 0.00 175.10 174.13 1flj s GLY 145 N 1.75 1.91 -0.02 4.51 0.00 0.21 -1.37 107.32 114.31 1flj s GLY 145 Ca 0.19 -0.74 0.02 0.00 0.00 0.00 0.00 44.72 44.18 1flj s GLY 145 CO 0.13 -0.06 -0.07 -1.50 0.00 0.00 0.00 173.10 171.60 1flj s ILE 146 N 0.10 0.65 0.24 0.90 2.07 -0.16 -1.19 121.20 123.81 1flj s ILE 146 Ca 0.05 -0.28 -0.14 0.00 -1.41 0.00 0.00 60.65 58.86 1flj s ILE 146 Cb -0.12 -0.59 -0.08 0.00 0.13 0.00 0.00 42.46 41.80 1flj s ILE 146 CO 0.01 0.21 0.64 -0.36 -1.91 0.00 0.00 174.94 173.53 1flj s PHE 147 N 0.25 3.50 -0.14 3.50 0.08 -1.26 0.44 117.98 124.34 1flj s PHE 147 Ca -0.03 1.13 -0.02 0.00 0.12 0.00 0.00 56.93 58.13 1flj s PHE 147 Cb -0.08 -2.44 -0.02 0.00 -0.57 0.00 0.00 43.02 39.90 1flj s PHE 147 CO 0.00 0.27 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.79 1flj s LEU 148 N -2.49 2.92 0.12 -0.37 1.02 -0.20 -0.52 118.68 119.17 1flj s LEU 148 Ca 0.46 -0.25 0.11 0.00 0.02 0.00 0.00 54.13 54.46 1flj s LEU 148 Cb -0.13 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 44.36 1flj s LEU 148 CO 0.19 0.16 -0.26 -0.75 0.02 0.00 0.00 176.35 175.71 1flj s LYS 149 N 0.39 1.47 0.12 1.70 2.20 0.16 -1.68 119.74 124.11 1flj s LYS 149 Ca -0.08 -1.31 -0.30 0.00 -0.36 0.00 0.00 55.97 53.92 1flj s LYS 149 Cb -0.15 -1.93 -0.07 0.00 -1.51 0.00 0.00 37.83 34.17 1flj s LYS 149 CO 0.04 0.46 1.20 0.42 -0.36 0.00 0.00 175.35 177.11 1flj s ILE 150 N -1.05 3.81 0.00 5.43 -1.09 -1.26 -0.77 121.20 126.28 1flj s ILE 150 Ca 0.14 1.39 0.00 0.00 -2.23 0.00 0.00 60.65 59.96 1flj s ILE 150 Cb -0.10 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 1flj s ILE 150 CO 0.06 0.16 0.00 0.61 -1.23 0.00 0.00 174.94 174.54 1flj n GLY 151 N 2.78 1.44 3.80 6.18 0.00 0.98 -4.80 105.19 115.56 1flj n GLY 151 Ca 0.07 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1flj n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1flj s ARG 152 N 4.55 3.67 0.35 1.61 1.81 -1.26 -3.89 118.95 125.78 1flj s ARG 152 Ca 0.00 1.28 -0.29 0.00 -1.72 0.00 0.00 55.73 55.01 1flj s ARG 152 Cb 0.00 -2.08 -0.11 0.00 -0.45 0.00 0.00 34.95 32.31 1flj s ARG 152 CO 0.00 -0.53 1.53 -2.00 -0.68 0.00 0.00 175.30 173.61 1flj s GLU 153 N -3.54 4.11 -0.42 3.54 2.12 -1.26 -3.38 118.70 119.86 1flj s GLU 153 Ca 0.66 2.58 -0.12 0.00 0.36 0.00 0.00 54.97 58.44 1flj s GLU 153 Cb -0.16 -2.98 0.05 0.00 0.26 0.00 0.00 34.13 31.30 1flj s GLU 153 CO 0.26 -0.57 0.28 0.21 -0.54 0.00 0.00 175.26 174.90 1flj s LYS 154 N -1.56 2.83 0.22 4.30 2.47 -1.26 -4.88 119.74 121.85 1flj s LYS 154 Ca 0.56 -1.24 -0.09 0.00 -1.56 0.00 0.00 55.97 53.65 1flj s LYS 154 Cb -0.47 -3.89 0.32 0.00 -1.46 0.00 0.00 37.83 32.33 1flj s LYS 154 CO 0.58 -0.86 1.71 0.78 0.16 0.00 0.00 175.35 177.72 1flj h GLY 155 N 8.54 0.83 1.71 5.54 0.00 -1.94 -1.71 103.07 116.05 1flj h GLY 155 Ca -0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1flj h GLY 155 CO 0.76 -0.11 0.03 0.83 0.00 0.00 0.00 176.54 178.05 1flj h GLU 156 N 0.29 0.37 0.00 4.80 3.07 -1.93 -2.17 114.58 119.01 1flj h GLU 156 Ca 0.33 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 59.08 1flj h GLU 156 Cb 0.49 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1flj h GLU 156 CO -0.40 0.37 -0.28 0.35 -1.40 0.00 0.00 179.01 177.65 1flj h PHE 157 N 0.36 0.00 -0.36 4.33 -0.00 -1.71 -2.97 116.94 116.59 1flj h PHE 157 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.04 1flj h PHE 157 Cb 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.12 1flj h PHE 157 CO 0.00 0.28 0.16 0.37 -0.00 0.00 0.00 178.31 179.12 1flj h GLN 158 N 0.00 0.50 -0.59 1.11 5.75 -1.25 -2.17 115.11 118.46 1flj h GLN 158 Ca -0.00 -0.05 0.09 0.00 -0.15 0.00 0.00 58.65 58.54 1flj h GLN 158 Cb 0.69 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 29.06 1flj h GLN 158 CO 0.04 0.40 0.20 0.82 -2.65 0.00 0.00 178.83 177.64 1flj h ILE 159 N 0.50 0.75 0.00 2.39 2.04 -1.64 0.37 117.51 121.93 1flj h ILE 159 Ca 0.13 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1flj h ILE 159 Cb 0.07 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1flj h ILE 159 CO -0.02 0.07 -0.00 0.25 0.00 0.00 0.00 178.15 178.45 1flj h LEU 160 N 0.37 -0.00 -1.46 1.44 6.46 -1.59 -3.18 115.31 117.34 1flj h LEU 160 Ca 0.30 -0.38 0.06 0.00 -0.12 0.00 0.00 57.88 57.75 1flj h LEU 160 Cb 0.38 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.27 1flj h LEU 160 CO -0.32 0.38 0.43 -0.07 -0.62 0.00 0.00 178.44 178.24 1flj h LEU 161 N -0.38 0.57 -1.35 2.25 3.38 -0.77 -0.56 115.31 118.45 1flj h LEU 161 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1flj h LEU 161 Cb 0.38 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1flj h LEU 161 CO 0.00 0.37 0.00 0.44 0.09 0.00 0.00 178.44 179.34 1flj h ASP 162 N 0.65 0.00 0.89 -0.43 3.32 -0.28 -2.89 116.42 117.69 1flj h ASP 162 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1flj h ASP 162 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1flj h ASP 162 CO -0.09 0.00 -0.91 0.00 -1.72 0.00 0.00 179.24 176.52 1flj n ALA 163 N -1.95 2.73 0.27 3.45 0.00 -0.23 -4.20 120.51 120.58 1flj n ALA 163 Ca 0.01 -0.26 0.15 0.00 0.00 0.00 0.00 53.44 53.34 1flj n ALA 163 Cb 0.23 -1.11 0.87 0.00 0.00 0.00 0.00 19.45 19.44 1flj n ALA 163 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1flj h LEU 164 N 0.00 0.00 -2.26 0.00 3.38 -1.45 -1.54 115.31 113.44 1flj h LEU 164 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1flj h LEU 164 Cb 0.90 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1flj h LEU 164 CO 0.00 0.00 -0.05 0.44 0.09 0.00 0.00 178.44 178.92 1flj h ASP 165 N 0.00 0.00 1.33 -0.43 5.19 -1.77 -1.76 116.42 118.98 1flj h ASP 165 Ca 0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1flj h ASP 165 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1flj h ASP 165 CO -0.00 0.05 -0.29 0.11 -3.12 0.00 0.00 179.24 175.99 1flj h LYS 166 N 0.00 0.00 -1.30 3.56 1.57 -1.57 -3.34 116.57 115.49 1flj h LYS 166 Ca -0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1flj h LYS 166 Cb 0.19 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.09 1flj h LYS 166 CO 0.01 0.00 -0.94 0.44 -0.57 0.00 0.00 179.45 178.39 1flj n ILE 167 N -2.40 1.76 -0.02 1.86 -5.35 -0.68 -4.63 119.36 109.90 1flj n ILE 167 Ca 0.04 -4.11 0.03 0.00 -0.27 0.00 0.00 62.75 58.43 1flj n ILE 167 Cb 0.46 -0.42 0.38 0.00 -1.74 0.00 0.00 39.64 38.32 1flj n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1flj h LYS 168 N 2.77 0.57 -6.16 6.28 1.63 -1.66 -3.43 116.57 116.57 1flj h LYS 168 Ca 0.12 -0.05 -0.60 0.00 -0.85 0.00 0.00 60.65 59.27 1flj h LYS 168 Cb 1.03 -0.12 -0.13 0.00 -0.60 0.00 0.00 32.23 32.42 1flj h LYS 168 CO 0.70 0.43 -0.72 0.95 -3.45 0.00 0.00 179.45 177.36 1flj s THR 169 N -5.39 2.66 0.07 1.00 -4.23 -1.26 -1.51 115.64 106.97 1flj s THR 169 Ca -0.08 -2.26 -0.35 0.00 -1.18 0.00 0.00 61.69 57.82 1flj s THR 169 Cb 0.17 -2.48 -0.14 0.00 1.34 0.00 0.00 72.50 71.38 1flj s THR 169 CO 0.74 -0.36 1.58 1.17 -0.54 0.00 0.00 174.62 177.21 1flj n LYS 170 N -0.72 1.81 -0.02 3.99 4.81 -0.72 -1.64 118.16 125.66 1flj n LYS 170 Ca -0.05 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 1flj n LYS 170 Cb 0.60 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.26 1flj n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1flj n GLY 171 N 3.40 0.37 3.83 3.14 0.00 0.14 -4.53 105.19 111.53 1flj n GLY 171 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1flj n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1flj s LYS 172 N -0.89 4.13 0.00 1.61 -0.14 -0.65 -4.93 119.74 118.87 1flj s LYS 172 Ca 0.00 1.01 -0.14 0.00 -1.36 0.00 0.00 55.97 55.47 1flj s LYS 172 Cb 0.00 -2.21 0.02 0.00 -1.68 0.00 0.00 37.83 33.96 1flj s LYS 172 CO 0.00 -0.05 0.31 -2.00 -0.76 0.00 0.00 175.35 172.85 1flj s GLU 173 N -3.33 0.70 0.02 1.68 2.12 -1.26 -1.83 118.70 116.80 1flj s GLU 173 Ca 0.60 -0.28 -0.21 0.00 0.36 0.00 0.00 54.97 55.44 1flj s GLU 173 Cb -0.09 0.31 0.05 0.00 0.26 0.00 0.00 34.13 34.65 1flj s GLU 173 CO 0.17 -0.20 0.48 0.00 -0.54 0.00 0.00 175.26 175.17 1flj s ALA 174 N -1.66 -1.22 0.33 6.30 0.00 -0.61 -4.93 121.76 119.97 1flj s ALA 174 Ca -0.11 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.14 1flj s ALA 174 Cb -0.04 0.27 -0.11 0.00 0.00 0.00 0.00 23.12 23.25 1flj s ALA 174 CO 0.02 -0.44 1.44 -2.14 0.00 0.00 0.00 175.76 174.64 1flj s PRO 175 N -2.11 4.21 -0.27 0.00 0.02 -1.26 -1.12 135.00 134.46 1flj s PRO 175 Ca -0.07 2.43 -0.03 0.00 0.02 0.00 0.00 61.00 63.34 1flj s PRO 175 Cb -0.01 -3.03 0.11 0.00 0.02 0.00 0.00 34.50 31.59 1flj s PRO 175 CO 0.01 -0.42 0.18 0.12 -0.33 0.00 0.00 177.00 176.56 1flj s PHE 176 N -0.84 0.03 0.38 6.54 5.36 -0.51 -4.70 117.98 124.23 1flj s PHE 176 Ca 0.54 -0.54 0.08 0.00 -0.96 0.00 0.00 56.93 56.05 1flj s PHE 176 Cb -0.44 -0.71 -0.06 0.00 -0.34 0.00 0.00 43.02 41.47 1flj s PHE 176 CO 0.55 -0.81 0.09 -0.80 -1.46 0.00 0.00 175.22 172.79 1flj s ASN 177 N 2.20 4.29 -0.86 6.13 0.02 -1.26 -2.81 114.94 122.64 1flj s ASN 177 Ca 0.08 -1.05 -0.05 0.00 -1.02 0.00 0.00 52.86 50.83 1flj s ASN 177 Cb -0.15 -0.51 0.00 0.00 0.02 0.00 0.00 41.25 40.61 1flj s ASN 177 CO -0.32 -0.39 0.66 1.41 0.02 0.00 0.00 177.10 178.48 1flj n HIS 178 N -1.09 -2.25 -3.83 2.20 8.25 -1.12 -5.01 115.22 112.37 1flj n HIS 178 Ca -0.03 0.83 -0.18 0.00 -0.26 0.00 0.00 57.72 58.08 1flj n HIS 178 Cb 0.64 -3.22 -0.17 0.00 1.12 0.00 0.00 29.99 28.36 1flj n HIS 178 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1flj s PHE 179 N -3.08 0.26 -0.42 4.41 2.19 -0.73 -4.95 117.98 115.66 1flj s PHE 179 Ca 0.09 0.05 -0.07 0.00 0.33 0.00 0.00 56.93 57.33 1flj s PHE 179 Cb -0.04 -0.44 0.09 0.00 -1.31 0.00 0.00 43.02 41.32 1flj s PHE 179 CO 0.86 -0.16 0.24 0.34 1.83 0.00 0.00 175.22 178.33 1flj s ASP 180 N 1.38 5.50 0.66 6.13 -1.08 -1.26 -4.37 116.67 123.63 1flj s ASP 180 Ca -0.05 -1.68 0.35 0.00 -0.52 0.00 0.00 52.55 50.65 1flj s ASP 180 Cb -0.13 -1.93 1.89 0.00 -1.46 0.00 0.00 42.92 41.29 1flj s ASP 180 CO -0.03 -0.54 2.08 -0.65 0.52 0.00 0.00 175.17 176.55 1flj h PRO 181 N 8.30 0.00 0.00 4.34 0.11 -1.97 -0.63 132.00 142.15 1flj h PRO 181 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1flj h PRO 181 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1flj h PRO 181 CO 0.74 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.19 1flj h SER 182 N 0.00 0.00 0.59 -2.05 4.64 -1.97 -1.77 113.55 112.99 1flj h SER 182 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1flj h SER 182 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1flj h SER 182 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1flj n LEU 184 N -2.52 1.21 -4.75 0.00 4.77 -0.67 -4.95 117.00 110.09 1flj n LEU 184 Ca 0.01 -0.35 -0.40 0.00 -0.03 0.00 0.00 56.01 55.23 1flj n LEU 184 Cb 0.20 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1flj n LEU 184 CO 0.20 0.22 0.76 -0.36 -1.33 0.00 0.00 177.39 176.87 1flj s PHE 185 N -2.46 3.69 0.83 -1.77 0.40 -0.78 -4.85 117.98 113.03 1flj s PHE 185 Ca 0.25 1.74 -0.11 0.00 -0.60 0.00 0.00 56.93 58.20 1flj s PHE 185 Cb 0.19 -3.20 0.09 0.00 0.51 0.00 0.00 43.02 40.60 1flj s PHE 185 CO 0.51 -0.30 1.09 -1.25 0.70 0.00 0.00 175.22 175.98 1flj s PRO 186 N -1.16 1.85 0.11 0.24 0.04 -1.26 -4.95 135.00 129.87 1flj s PRO 186 Ca 0.45 0.78 -0.18 0.00 0.04 0.00 0.00 61.00 62.08 1flj s PRO 186 Cb -0.30 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1flj s PRO 186 CO 0.38 -1.82 1.61 0.00 0.04 0.00 0.00 177.00 177.21 1flj h ALA 187 N -1.24 0.40 -2.40 8.56 0.00 -1.95 -3.42 119.26 119.21 1flj h ALA 187 Ca -0.47 -0.16 -0.54 0.00 0.00 0.00 0.00 54.91 53.73 1flj h ALA 187 Cb 1.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1flj h ALA 187 CO 0.57 0.05 0.68 0.00 0.00 0.00 0.00 179.25 180.54 1flj n ARG 189 N 4.69 2.58 -1.61 0.00 3.00 -1.26 -4.64 116.66 119.42 1flj n ARG 189 Ca 0.11 -2.43 -0.41 0.00 -0.01 0.00 0.00 57.85 55.11 1flj n ARG 189 Cb 0.45 -1.54 0.01 0.00 0.00 0.00 0.00 32.46 31.39 1flj n ARG 189 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1flj n ASP 190 N 1.55 1.18 -3.73 0.55 10.43 -1.26 -4.88 116.55 120.39 1flj n ASP 190 Ca 0.22 1.02 -0.10 0.00 2.57 0.00 0.00 54.79 58.50 1flj n ASP 190 Cb 0.61 -1.35 -0.04 0.00 1.84 0.00 0.00 41.12 42.18 1flj n ASP 190 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 1flj s TYR 191 N -1.29 -0.09 0.13 1.24 1.13 -1.26 -1.37 117.35 115.83 1flj s TYR 191 Ca 0.64 -0.24 0.07 0.00 -1.41 0.00 0.00 57.07 56.13 1flj s TYR 191 Cb -0.55 0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 40.60 1flj s TYR 191 CO 0.56 -0.86 -0.07 -1.58 -2.51 0.00 0.00 175.55 171.10 1flj s TRP 192 N -3.87 2.76 0.01 -3.49 0.51 -0.26 -1.58 118.94 113.03 1flj s TRP 192 Ca 0.09 -0.15 -0.00 0.00 -2.12 0.00 0.00 56.10 53.91 1flj s TRP 192 Cb -0.00 -1.40 -0.01 0.00 -0.81 0.00 0.00 33.47 31.25 1flj s TRP 192 CO -0.05 0.47 -0.01 -0.08 -0.51 0.00 0.00 176.95 176.77 1flj s THR 193 N -1.42 0.06 0.05 2.01 -1.32 0.22 -1.42 115.64 113.82 1flj s THR 193 Ca 0.24 -0.54 -0.27 0.00 -1.21 0.00 0.00 61.69 59.91 1flj s THR 193 Cb -0.10 -0.17 0.09 0.00 -1.51 0.00 0.00 72.50 70.81 1flj s THR 193 CO 0.15 -0.30 0.86 -0.72 -2.21 0.00 0.00 174.62 172.40 1flj s TYR 194 N -0.87 -0.33 -0.16 9.09 -0.85 -1.17 -1.41 117.35 121.65 1flj s TYR 194 Ca -0.10 0.15 -0.15 0.00 -0.52 0.00 0.00 57.07 56.46 1flj s TYR 194 Cb -0.06 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 1flj s TYR 194 CO -0.01 -0.65 0.35 -1.58 -1.52 0.00 0.00 175.55 172.14 1flj s HIS 195 N -3.25 3.46 0.00 -3.49 5.65 -1.26 -0.51 115.29 115.89 1flj s HIS 195 Ca 0.06 0.66 0.00 0.00 0.25 0.00 0.00 55.06 56.03 1flj s HIS 195 Cb -0.01 -2.41 0.00 0.00 -1.18 0.00 0.00 32.58 28.98 1flj s HIS 195 CO -0.07 0.19 0.00 0.41 -0.65 0.00 0.00 174.74 174.61 1flj n GLY 196 N 3.44 4.60 3.41 1.59 0.00 0.33 -4.86 105.19 113.71 1flj n GLY 196 Ca -0.10 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 1flj n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1flj s SER 197 N 1.47 2.30 0.38 1.61 1.04 -1.04 -2.15 113.70 117.32 1flj s SER 197 Ca 0.00 -1.73 -0.25 0.00 0.48 0.00 0.00 55.95 54.45 1flj s SER 197 Cb 0.00 0.56 -0.09 0.00 0.10 0.00 0.00 66.02 66.59 1flj s SER 197 CO 0.00 -1.01 1.12 -0.36 0.98 0.00 0.00 173.24 173.98 1flj s PHE 198 N -3.32 3.20 -1.98 5.02 0.08 -0.86 -4.47 117.98 115.65 1flj s PHE 198 Ca 0.31 1.60 0.07 0.00 0.12 0.00 0.00 56.93 59.03 1flj s PHE 198 Cb 0.02 -3.30 0.21 0.00 -0.57 0.00 0.00 43.02 39.39 1flj s PHE 198 CO 0.20 -1.00 1.17 0.25 -0.10 0.00 0.00 175.22 175.75 1flj n THR 199 N 0.20 0.33 -4.09 0.64 -2.24 -1.26 -4.44 114.28 103.42 1flj n THR 199 Ca 0.04 -0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 61.35 1flj n THR 199 Cb 0.47 0.15 -0.12 0.00 -2.10 0.00 0.00 70.33 68.74 1flj n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1flj s THR 200 N -1.68 0.57 0.52 4.28 -4.23 -1.26 -4.67 115.64 109.18 1flj s THR 200 Ca 0.16 -0.98 -0.21 0.00 -1.18 0.00 0.00 61.69 59.49 1flj s THR 200 Cb 0.08 -0.61 -0.07 0.00 1.34 0.00 0.00 72.50 73.24 1flj s THR 200 CO 0.11 -0.30 0.97 -2.65 -0.54 0.00 0.00 174.62 172.21 1flj n PRO 201 N 1.66 1.11 0.00 3.99 -0.02 -1.26 -0.71 135.00 139.77 1flj n PRO 201 Ca -0.21 0.41 0.02 0.00 -2.02 0.00 0.00 63.50 61.70 1flj n PRO 201 Cb 0.55 -2.10 0.14 0.00 -0.02 0.00 0.00 33.50 32.07 1flj n PRO 201 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1flj n PRO 202 N -0.45 0.61 -3.02 0.52 -0.02 -1.26 -5.00 135.00 126.38 1flj n PRO 202 Ca 0.11 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.38 1flj n PRO 202 Cb 0.44 -1.12 0.02 0.00 -0.02 0.00 0.00 33.50 32.81 1flj n PRO 202 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1flj n GLU 204 N -3.74 2.40 -2.15 0.00 4.71 -1.26 -4.35 120.64 116.25 1flj n GLU 204 Ca -0.10 0.85 -0.42 0.00 -0.01 0.00 0.00 57.16 57.49 1flj n GLU 204 Cb 0.60 -2.58 0.00 0.00 -1.01 0.00 0.00 31.44 28.45 1flj n GLU 204 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1flj n GLU 205 N 2.09 3.87 -0.13 3.49 1.02 -1.26 -2.03 120.64 127.69 1flj n GLU 205 Ca 0.10 -3.40 0.07 0.00 -0.02 0.00 0.00 57.16 53.91 1flj n GLU 205 Cb 0.34 -2.85 0.09 0.00 -0.02 0.00 0.00 31.44 29.01 1flj n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1flj s ILE 207 N -2.04 3.58 -0.33 0.00 1.01 -0.91 -1.45 121.20 121.05 1flj s ILE 207 Ca 0.21 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.26 1flj s ILE 207 Cb 0.19 -2.50 -0.00 0.00 0.01 0.00 0.00 42.46 40.16 1flj s ILE 207 CO 0.02 0.55 0.18 -0.69 0.00 0.00 0.00 174.94 175.00 1flj s VAL 208 N -0.22 4.69 0.05 2.92 1.01 -0.43 -0.51 120.40 127.92 1flj s VAL 208 Ca 0.03 -0.49 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 1flj s VAL 208 Cb -0.13 -3.45 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 1flj s VAL 208 CO 0.03 -0.01 0.53 0.26 0.00 0.00 0.00 175.10 175.91 1flj s TRP 209 N 1.62 3.79 -0.37 5.22 0.52 0.33 -1.98 118.94 128.07 1flj s TRP 209 Ca 0.04 1.21 0.02 0.00 0.02 0.00 0.00 56.10 57.39 1flj s TRP 209 Cb -0.18 -2.45 0.11 0.00 -1.15 0.00 0.00 33.47 29.80 1flj s TRP 209 CO 0.07 0.60 0.13 -0.51 0.02 0.00 0.00 176.95 177.26 1flj s LEU 210 N -1.08 3.17 -0.28 2.99 1.43 0.08 -3.06 118.68 121.92 1flj s LEU 210 Ca 0.28 -2.13 -0.11 0.00 -1.03 0.00 0.00 54.13 51.14 1flj s LEU 210 Cb -0.19 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.82 1flj s LEU 210 CO 0.18 -0.35 0.18 -0.76 0.23 0.00 0.00 176.35 175.82 1flj s LEU 211 N 0.97 3.98 0.30 1.79 2.01 -0.51 0.65 118.68 127.87 1flj s LEU 211 Ca 0.13 -0.06 -0.28 0.00 0.01 0.00 0.00 54.13 53.93 1flj s LEU 211 Cb -0.20 -2.10 -0.09 0.00 0.01 0.00 0.00 46.19 43.81 1flj s LEU 211 CO -0.12 -0.06 1.06 -0.76 1.01 0.00 0.00 176.35 177.48 1flj s LEU 212 N 1.74 4.48 0.06 1.79 1.43 -0.33 -1.10 118.68 126.74 1flj s LEU 212 Ca 0.07 2.16 -0.17 0.00 -1.03 0.00 0.00 54.13 55.16 1flj s LEU 212 Cb -0.16 -3.75 -0.15 0.00 0.03 0.00 0.00 46.19 42.16 1flj s LEU 212 CO 0.10 -0.17 1.30 0.50 0.23 0.00 0.00 176.35 178.31 1flj h LYS 213 N 3.57 0.59 -6.10 1.70 3.64 -1.55 -3.44 116.57 114.99 1flj h LYS 213 Ca -0.47 -0.42 -0.56 0.00 -1.27 0.00 0.00 60.65 57.93 1flj h LYS 213 Cb 1.21 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 1flj h LYS 213 CO 0.66 1.04 0.36 -2.00 -2.27 0.00 0.00 179.45 177.24 1flj s GLU 214 N -3.90 4.39 0.68 1.90 2.12 -1.26 -5.02 118.70 117.60 1flj s GLU 214 Ca -0.12 1.13 -0.11 0.00 0.36 0.00 0.00 54.97 56.22 1flj s GLU 214 Cb 0.07 -3.52 -0.00 0.00 0.26 0.00 0.00 34.13 30.93 1flj s GLU 214 CO 0.83 -0.20 1.06 -2.14 -0.54 0.00 0.00 175.26 174.26 1flj s PRO 215 N 1.68 3.06 -0.10 4.30 0.02 -1.26 -4.73 135.00 137.96 1flj s PRO 215 Ca 0.42 0.96 -0.10 0.00 0.02 0.00 0.00 61.00 62.31 1flj s PRO 215 Cb -0.18 -2.01 -0.05 0.00 0.02 0.00 0.00 34.50 32.29 1flj s PRO 215 CO 0.17 -1.01 0.22 1.41 -0.33 0.00 0.00 177.00 177.46 1flj s MET 216 N -4.95 3.66 0.01 5.54 1.75 0.32 -4.82 119.30 120.82 1flj s MET 216 Ca 0.58 0.02 -0.05 0.00 -1.25 0.00 0.00 55.69 54.99 1flj s MET 216 Cb -0.14 -3.23 -0.05 0.00 2.84 0.00 0.00 34.83 34.26 1flj s MET 216 CO 0.53 0.69 0.24 0.95 -0.65 0.00 0.00 175.02 176.78 1flj s THR 217 N -0.85 5.34 0.04 10.11 -4.23 -1.26 -0.66 115.64 124.13 1flj s THR 217 Ca 0.17 0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.67 1flj s THR 217 Cb -0.13 -3.56 -0.02 0.00 1.34 0.00 0.00 72.50 70.13 1flj s THR 217 CO 0.06 0.33 0.06 0.54 -0.54 0.00 0.00 174.62 175.06 1flj s VAL 218 N -1.34 0.14 0.53 2.29 0.11 0.05 -4.22 120.40 117.96 1flj s VAL 218 Ca 0.28 -1.19 -0.04 0.00 -2.93 0.00 0.00 61.98 58.11 1flj s VAL 218 Cb -0.13 -0.91 -0.00 0.00 -1.53 0.00 0.00 36.38 33.81 1flj s VAL 218 CO 0.18 -0.65 0.81 -0.94 -3.33 0.00 0.00 175.10 171.16 1flj s SER 219 N -2.16 5.78 0.34 3.54 1.04 -1.24 -0.02 113.70 120.98 1flj s SER 219 Ca -0.05 0.63 0.02 0.00 0.48 0.00 0.00 55.95 57.03 1flj s SER 219 Cb -0.01 -1.75 0.60 0.00 0.10 0.00 0.00 66.02 64.96 1flj s SER 219 CO -0.05 -0.87 2.00 0.28 0.98 0.00 0.00 173.24 175.58 1flj h SER 220 N 0.06 0.76 -0.13 7.02 0.02 -1.96 -1.58 113.55 117.75 1flj h SER 220 Ca -0.46 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.39 1flj h SER 220 Cb 1.25 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 1flj h SER 220 CO 0.60 0.56 -0.14 0.44 -1.14 0.00 0.00 176.83 177.15 1flj h ASP 221 N 0.89 0.48 -0.29 3.07 3.32 -1.98 -0.63 116.42 121.27 1flj h ASP 221 Ca 0.24 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1flj h ASP 221 Cb -0.08 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1flj h ASP 221 CO -0.05 0.64 -0.01 1.56 -1.72 0.00 0.00 179.24 179.66 1flj h GLN 222 N 0.45 0.52 -0.66 3.56 4.20 -1.70 -2.57 115.11 118.92 1flj h GLN 222 Ca 0.08 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1flj h GLN 222 Cb 0.51 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1flj h GLN 222 CO 0.03 0.68 0.28 0.52 -0.67 0.00 0.00 178.83 179.67 1flj h MET 223 N 0.30 0.95 -0.06 1.46 2.86 -1.00 -1.98 114.93 117.46 1flj h MET 223 Ca 0.08 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1flj h MET 223 Cb 0.46 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1flj h MET 223 CO 0.02 0.77 -0.08 0.00 1.06 0.00 0.00 176.91 178.67 1flj h ALA 224 N 1.36 1.75 -0.42 6.32 0.00 -0.98 -2.22 119.26 125.08 1flj h ALA 224 Ca 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1flj h ALA 224 Cb 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1flj h ALA 224 CO -0.02 0.19 0.09 -0.22 0.00 0.00 0.00 179.25 179.29 1flj h LYS 225 N 0.09 0.68 -0.95 0.00 1.63 -0.94 -2.85 116.57 114.22 1flj h LYS 225 Ca 0.02 -0.17 0.05 0.00 -0.85 0.00 0.00 60.65 59.70 1flj h LYS 225 Cb 0.21 -0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 31.69 1flj h LYS 225 CO 0.01 0.70 0.62 -0.07 -3.45 0.00 0.00 179.45 177.26 1flj h LEU 226 N 0.55 1.01 0.00 5.20 3.38 -1.29 -1.52 115.31 122.63 1flj h LEU 226 Ca 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1flj h LEU 226 Cb 0.33 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1flj h LEU 226 CO 0.00 0.68 0.00 0.54 0.09 0.00 0.00 178.44 179.75 1flj n ARG 227 N -4.50 0.25 0.00 1.13 1.74 -1.07 -2.83 116.66 111.38 1flj n ARG 227 Ca 0.13 0.12 0.15 0.00 -0.77 0.00 0.00 57.85 57.49 1flj n ARG 227 Cb 0.12 -1.50 0.77 0.00 -1.02 0.00 0.00 32.46 30.83 1flj n ARG 227 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1flj n SER 228 N -1.22 0.28 -4.85 0.55 3.41 -0.57 -4.50 113.62 106.71 1flj n SER 228 Ca 0.07 -0.73 -0.31 0.00 -0.26 0.00 0.00 58.87 57.64 1flj n SER 228 Cb 0.09 -0.09 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1flj n SER 228 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1flj s LEU 229 N -2.26 3.30 0.00 1.04 1.43 -1.13 -4.92 118.68 116.14 1flj s LEU 229 Ca 0.37 1.50 0.05 0.00 -1.03 0.00 0.00 54.13 55.02 1flj s LEU 229 Cb 0.21 -4.48 -0.03 0.00 0.03 0.00 0.00 46.19 41.92 1flj s LEU 229 CO 0.42 -0.91 -0.15 -0.36 0.23 0.00 0.00 176.35 175.58 1flj s PHE 230 N -3.02 2.67 -0.56 0.29 0.08 -0.57 0.28 117.98 117.15 1flj s PHE 230 Ca 0.57 -0.18 0.24 0.00 0.12 0.00 0.00 56.93 57.67 1flj s PHE 230 Cb -0.11 -1.55 0.35 0.00 -0.57 0.00 0.00 43.02 41.14 1flj s PHE 230 CO 0.49 0.25 1.37 0.00 -0.10 0.00 0.00 175.22 177.23 1flj h ALA 231 N 4.82 0.67 -2.29 5.36 0.00 -0.85 -3.30 119.26 123.68 1flj h ALA 231 Ca -0.47 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 53.95 1flj h ALA 231 Cb 1.16 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.96 1flj h ALA 231 CO 0.50 0.00 -0.03 -1.54 0.00 0.00 0.00 179.25 178.17 1flj s SER 232 N -4.70 6.30 0.66 0.00 1.04 -1.24 -4.57 113.70 111.19 1flj s SER 232 Ca 0.06 0.72 -0.07 0.00 0.48 0.00 0.00 55.95 57.14 1flj s SER 232 Cb 0.12 -2.15 0.03 0.00 0.10 0.00 0.00 66.02 64.11 1flj s SER 232 CO 0.71 -0.42 0.98 0.00 0.98 0.00 0.00 173.24 175.49 1flj s ALA 233 N -2.49 3.17 0.24 5.32 0.00 -1.26 -1.76 121.76 124.97 1flj s ALA 233 Ca 0.44 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.62 1flj s ALA 233 Cb -0.10 -2.67 0.44 0.00 0.00 0.00 0.00 23.12 20.78 1flj s ALA 233 CO 0.39 -1.07 1.72 0.93 0.00 0.00 0.00 175.76 177.74 1flj h GLU 234 N -0.44 0.39 -1.22 0.00 5.08 -1.92 -1.16 114.58 115.33 1flj h GLU 234 Ca -0.45 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 57.82 1flj h GLU 234 Cb 1.28 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1flj h GLU 234 CO 0.61 0.26 0.08 0.27 -1.00 0.00 0.00 179.01 179.23 1flj n ASN 235 N -5.03 3.70 -4.07 1.42 6.94 -1.26 -4.84 115.26 112.12 1flj n ASN 235 Ca 0.14 -2.28 -0.10 0.00 -0.02 0.00 0.00 54.58 52.32 1flj n ASN 235 Cb 0.41 -0.68 -0.11 0.00 -2.36 0.00 0.00 39.78 37.04 1flj n ASN 235 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1flj s GLU 236 N -0.39 0.57 0.18 -3.83 2.02 -0.44 -5.12 118.70 111.68 1flj s GLU 236 Ca 0.07 -0.96 -0.31 0.00 0.02 0.00 0.00 54.97 53.78 1flj s GLU 236 Cb 0.06 -0.07 -0.10 0.00 0.10 0.00 0.00 34.13 34.12 1flj s GLU 236 CO 0.01 -0.02 1.58 -2.14 0.02 0.00 0.00 175.26 174.70 1flj s PRO 237 N -2.60 4.21 0.07 0.39 0.02 -1.26 -4.79 135.00 131.04 1flj s PRO 237 Ca -0.03 2.39 -0.37 0.00 0.02 0.00 0.00 61.00 63.01 1flj s PRO 237 Cb -0.02 -3.14 -0.18 0.00 0.02 0.00 0.00 34.50 31.18 1flj s PRO 237 CO -0.03 -0.61 1.22 -2.30 -0.33 0.00 0.00 177.00 174.95 1flj n PRO 238 N 3.78 0.77 -3.62 5.54 -0.02 -1.26 -4.83 135.00 135.36 1flj n PRO 238 Ca 0.13 0.28 -0.24 0.00 -2.02 0.00 0.00 63.50 61.65 1flj n PRO 238 Cb 0.38 -1.85 -0.17 0.00 -0.02 0.00 0.00 33.50 31.85 1flj n PRO 238 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1flj s VAL 239 N 0.23 -0.11 0.38 -1.45 1.01 -1.26 -5.02 120.40 114.18 1flj s VAL 239 Ca 0.85 -0.02 -0.27 0.00 0.00 0.00 0.00 61.98 62.53 1flj s VAL 239 Cb -1.04 -0.48 -0.10 0.00 0.00 0.00 0.00 36.38 34.75 1flj s VAL 239 CO 0.51 -0.17 1.41 -2.16 0.00 0.00 0.00 175.10 174.68 1flj s PRO 240 N 2.16 4.08 -0.81 2.72 0.04 -1.26 -0.28 135.00 141.65 1flj s PRO 240 Ca 0.03 2.41 -0.20 0.00 0.04 0.00 0.00 61.00 63.28 1flj s PRO 240 Cb -0.15 -2.91 0.11 0.00 0.04 0.00 0.00 34.50 31.59 1flj s PRO 240 CO -0.08 -0.49 1.03 -1.17 0.04 0.00 0.00 177.00 176.33 1flj s LEU 241 N -2.17 4.88 0.06 -3.56 2.96 0.14 -4.38 118.68 116.61 1flj s LEU 241 Ca 0.54 -1.64 -0.07 0.00 -0.22 0.00 0.00 54.13 52.74 1flj s LEU 241 Cb -0.43 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 43.86 1flj s LEU 241 CO 0.58 -1.19 0.14 0.68 -1.32 0.00 0.00 176.35 175.24 1flj s VAL 242 N 3.13 0.14 -0.76 1.68 -7.23 -1.26 -4.67 120.40 111.42 1flj s VAL 242 Ca 0.27 -1.18 -0.04 0.00 -1.81 0.00 0.00 61.98 59.22 1flj s VAL 242 Cb -0.11 -1.18 0.00 0.00 0.56 0.00 0.00 36.38 35.65 1flj s VAL 242 CO -0.01 -0.65 0.51 0.61 -0.31 0.00 0.00 175.10 175.24 1flj n GLY 243 N 0.29 0.11 2.54 2.32 0.00 -0.39 -4.92 105.19 105.15 1flj n GLY 243 Ca -0.16 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1flj n GLY 243 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1flj n ASN 244 N -0.74 6.77 -4.21 1.61 6.94 -1.15 -4.89 115.26 119.60 1flj n ASN 244 Ca -0.02 -3.28 -0.24 0.00 -0.02 0.00 0.00 54.58 51.02 1flj n ASN 244 Cb 0.54 -1.23 -0.14 0.00 -2.36 0.00 0.00 39.78 36.60 1flj n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1flj s TRP 245 N -1.98 1.63 0.05 -2.53 1.48 -1.26 -4.55 118.94 111.77 1flj s TRP 245 Ca 0.57 -0.36 -0.13 0.00 -1.06 0.00 0.00 56.10 55.12 1flj s TRP 245 Cb 0.37 -0.98 -0.06 0.00 -1.16 0.00 0.00 33.47 31.64 1flj s TRP 245 CO -0.23 0.06 0.43 0.50 -4.06 0.00 0.00 176.95 173.65 1flj s ARG 246 N -1.05 3.89 0.84 3.25 3.52 -1.26 -5.04 118.95 123.10 1flj s ARG 246 Ca 0.06 0.36 -0.10 0.00 -0.13 0.00 0.00 55.73 55.92 1flj s ARG 246 Cb -0.08 -3.12 0.10 0.00 -1.56 0.00 0.00 34.95 30.29 1flj s ARG 246 CO 0.01 0.62 1.11 -2.14 -0.81 0.00 0.00 175.30 174.10 1flj s PRO 247 N -1.45 1.71 0.40 5.12 0.02 -1.26 -4.75 135.00 134.80 1flj s PRO 247 Ca 0.29 1.28 -0.26 0.00 0.02 0.00 0.00 61.00 62.32 1flj s PRO 247 Cb -0.16 -1.83 -0.09 0.00 0.02 0.00 0.00 34.50 32.45 1flj s PRO 247 CO 0.16 -2.06 1.32 -2.14 -0.33 0.00 0.00 177.00 173.95 1flj s PRO 248 N -4.81 3.97 0.34 5.54 0.02 -1.26 -4.43 135.00 134.37 1flj s PRO 248 Ca 0.63 2.20 0.07 0.00 0.02 0.00 0.00 61.00 63.93 1flj s PRO 248 Cb -0.19 -2.77 -0.02 0.00 0.02 0.00 0.00 34.50 31.54 1flj s PRO 248 CO 0.57 -0.51 0.39 -0.65 -0.33 0.00 0.00 177.00 176.47 1flj s GLN 249 N -2.23 2.93 0.29 5.54 -1.52 0.49 -4.97 119.66 120.19 1flj s GLN 249 Ca 0.57 -1.15 -0.30 0.00 -1.95 0.00 0.00 55.36 52.53 1flj s GLN 249 Cb -0.39 -2.66 -0.11 0.00 -0.22 0.00 0.00 33.01 29.63 1flj s GLN 249 CO 0.50 0.07 1.55 -2.14 -0.25 0.00 0.00 175.29 175.02 1flj s PRO 250 N -4.10 4.16 0.23 2.91 0.02 -1.26 -4.62 135.00 132.34 1flj s PRO 250 Ca 0.43 2.51 0.05 0.00 0.02 0.00 0.00 61.00 64.01 1flj s PRO 250 Cb -0.08 -3.04 0.22 0.00 0.02 0.00 0.00 34.50 31.63 1flj s PRO 250 CO 0.29 -0.57 1.54 0.97 -0.33 0.00 0.00 177.00 178.90 1flj h ILE 251 N 3.37 1.41 0.00 2.83 6.09 -1.94 -3.43 117.51 125.84 1flj h ILE 251 Ca -0.47 -2.09 0.00 0.00 -1.37 0.00 0.00 64.86 60.93 1flj h ILE 251 Cb 1.22 2.08 0.00 0.00 0.47 0.00 0.00 36.82 40.59 1flj h ILE 251 CO 0.77 0.61 0.00 0.29 -3.07 0.00 0.00 178.15 176.76 1flj n LYS 252 N -3.83 0.00 -1.26 2.19 5.02 -1.26 -3.22 118.16 115.80 1flj n LYS 252 Ca -0.02 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.07 1flj n LYS 252 Cb 0.64 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.54 1flj n LYS 252 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1flj n GLY 253 N 0.00 3.70 3.23 0.72 0.00 -1.26 -4.92 105.19 106.66 1flj n GLY 253 Ca 0.00 -1.56 -0.24 0.00 0.00 0.00 0.00 46.02 44.22 1flj n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1flj s ARG 254 N -0.39 1.26 -0.02 1.61 0.52 -1.20 -5.14 118.95 115.59 1flj s ARG 254 Ca 0.63 -0.91 0.05 0.00 -0.52 0.00 0.00 55.73 54.97 1flj s ARG 254 Cb 0.35 -1.36 -0.03 0.00 0.52 0.00 0.00 34.95 34.43 1flj s ARG 254 CO -0.12 0.34 -0.15 0.14 0.02 0.00 0.00 175.30 175.54 1flj s VAL 255 N -0.84 3.03 -0.25 3.52 -7.23 -1.26 -5.06 120.40 112.31 1flj s VAL 255 Ca 0.06 -0.88 -0.09 0.00 -1.81 0.00 0.00 61.98 59.26 1flj s VAL 255 Cb -0.09 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1flj s VAL 255 CO 0.02 0.49 0.13 -0.69 -0.31 0.00 0.00 175.10 174.74 1flj s VAL 256 N -0.82 4.99 -0.01 1.32 1.01 -1.25 -4.75 120.40 120.89 1flj s VAL 256 Ca 0.13 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 1flj s VAL 256 Cb -0.11 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 1flj s VAL 256 CO 0.03 0.33 0.32 -0.13 0.00 0.00 0.00 175.10 175.65 1flj s ARG 257 N 1.35 3.72 -0.04 2.72 0.52 -0.50 -0.53 118.95 126.19 1flj s ARG 257 Ca 0.06 0.16 0.04 0.00 -0.52 0.00 0.00 55.73 55.47 1flj s ARG 257 Cb -0.15 -3.14 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 1flj s ARG 257 CO 0.06 0.68 -0.16 0.00 0.02 0.00 0.00 175.30 175.89 1flj s ALA 258 N -1.18 2.59 -2.13 2.13 0.00 -0.29 -0.61 121.76 122.27 1flj s ALA 258 Ca 0.24 -1.00 0.30 0.00 0.00 0.00 0.00 51.96 51.50 1flj s ALA 258 Cb -0.14 -0.90 1.60 0.00 0.00 0.00 0.00 23.12 23.68 1flj s ALA 258 CO 0.13 0.55 2.05 -1.13 0.00 0.00 0.00 175.76 177.36 1flj n SER 259 N 2.33 0.43 -4.23 0.00 3.41 -0.61 -1.41 113.62 113.54 1flj n SER 259 Ca -0.17 -1.18 -0.21 0.00 -0.26 0.00 0.00 58.87 57.05 1flj n SER 259 Cb 0.52 -0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.34 1flj n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1flj s PHE 260 N -1.99 1.51 -2.00 7.33 -0.71 -1.26 -4.93 117.98 115.92 1flj s PHE 260 Ca 0.44 -0.43 0.29 0.00 -1.04 0.00 0.00 56.93 56.19 1flj s PHE 260 Cb 0.21 -0.84 1.76 0.00 -1.21 0.00 0.00 43.02 42.94 1flj s PHE 260 CO 0.35 0.13 2.09 1.17 -1.34 0.00 0.00 175.22 177.62