#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwf n LYS 3 N 0.00 3.12 -1.40 -1.24 4.01 -1.26 -5.06 118.16 116.34 1xwf n LYS 3 Ca 0.00 -3.79 -0.33 0.00 -0.51 0.00 0.00 58.31 53.68 1xwf n LYS 3 Cb 0.00 -2.28 0.09 0.00 -0.51 0.00 0.00 35.03 32.33 1xwf n LYS 3 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1xwf s LEU 4 N -3.74 3.22 0.24 -0.35 1.43 -1.26 -4.95 118.68 113.27 1xwf s LEU 4 Ca 0.56 2.13 0.22 0.00 -1.03 0.00 0.00 54.13 56.02 1xwf s LEU 4 Cb 0.45 -4.56 0.05 0.00 0.03 0.00 0.00 46.19 42.16 1xwf s LEU 4 CO -0.07 -2.15 1.13 1.55 0.23 0.00 0.00 176.35 177.04 1xwf h PRO 5 N -0.56 0.00 -1.10 1.29 0.13 -1.97 -3.49 132.00 126.31 1xwf h PRO 5 Ca -0.46 0.00 0.33 0.00 -0.87 0.00 0.00 66.00 65.00 1xwf h PRO 5 Cb 1.27 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.19 1xwf h PRO 5 CO 0.50 0.02 0.96 1.52 -0.23 0.00 0.00 178.00 180.77 1xwf s TYR 6 N -3.32 -0.03 -0.32 1.56 -0.85 -1.26 -3.77 117.35 109.36 1xwf s TYR 6 Ca 0.01 0.01 -0.01 0.00 -0.52 0.00 0.00 57.07 56.56 1xwf s TYR 6 Cb 0.09 0.50 0.12 0.00 0.38 0.00 0.00 41.96 43.06 1xwf s TYR 6 CO 0.77 -0.04 0.21 0.21 -1.52 0.00 0.00 175.55 175.18 1xwf s LYS 7 N -2.09 0.37 0.32 -3.49 2.47 0.22 -4.93 119.74 112.61 1xwf s LYS 7 Ca 0.12 -0.73 0.09 0.00 -1.56 0.00 0.00 55.97 53.89 1xwf s LYS 7 Cb -0.01 -1.06 -0.06 0.00 -1.46 0.00 0.00 37.83 35.24 1xwf s LYS 7 CO -0.03 -1.10 -0.10 0.14 0.16 0.00 0.00 175.35 174.42 1xwf s VAL 8 N 1.77 2.14 0.02 4.02 -7.23 -1.26 -2.16 120.40 117.70 1xwf s VAL 8 Ca 0.13 -2.21 -0.07 0.00 -1.81 0.00 0.00 61.98 58.01 1xwf s VAL 8 Cb -0.18 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 1xwf s VAL 8 CO -0.21 -0.25 1.11 0.00 -0.31 0.00 0.00 175.10 175.44 1xwf h ALA 9 N 2.11 -0.63 -3.17 1.32 0.00 -1.86 -3.42 119.26 113.60 1xwf h ALA 9 Ca -0.41 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.10 1xwf h ALA 9 Cb 1.25 0.55 -0.39 0.00 0.00 0.00 0.00 17.79 19.20 1xwf h ALA 9 CO 0.68 -0.66 -0.72 0.34 0.00 0.00 0.00 179.25 178.90 1xwf s ASP 10 N -2.90 1.35 0.47 0.00 -1.08 -1.26 -5.02 116.67 108.23 1xwf s ASP 10 Ca -0.03 -0.04 0.16 0.00 -0.52 0.00 0.00 52.55 52.11 1xwf s ASP 10 Cb 0.01 -0.06 1.13 0.00 -1.46 0.00 0.00 42.92 42.54 1xwf s ASP 10 CO 0.12 -0.28 2.03 -0.29 0.52 0.00 0.00 175.17 177.28 1xwf h ILE 11 N 6.41 0.92 -0.73 4.11 6.09 -1.93 -2.67 117.51 129.72 1xwf h ILE 11 Ca -0.13 -0.09 0.16 0.00 -1.37 0.00 0.00 64.86 63.43 1xwf h ILE 11 Cb 1.13 0.63 -0.11 0.00 0.47 0.00 0.00 36.82 38.94 1xwf h ILE 11 CO 0.19 0.05 0.16 1.23 -3.07 0.00 0.00 178.15 176.71 1xwf h GLY 12 N 0.27 1.00 0.07 8.18 0.00 -1.95 -2.31 103.07 108.33 1xwf h GLY 12 Ca 0.19 -0.03 0.13 0.00 0.00 0.00 0.00 47.33 47.63 1xwf h GLY 12 CO -0.04 -0.20 0.84 1.41 0.00 0.00 0.00 176.54 178.55 1xwf h LEU 13 N 0.26 0.00 -0.87 3.11 -0.00 -1.82 -3.25 115.31 112.73 1xwf h LEU 13 Ca 0.41 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 58.37 1xwf h LEU 13 Cb 0.70 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.26 1xwf h LEU 13 CO -0.52 0.00 -0.53 0.00 -0.00 0.00 0.00 178.44 177.40 1xwf h ALA 14 N 0.73 -0.50 -0.99 1.53 0.00 -1.62 -0.96 119.26 117.44 1xwf h ALA 14 Ca 0.21 0.10 0.36 0.00 0.00 0.00 0.00 54.91 55.58 1xwf h ALA 14 Cb 1.89 1.33 -0.17 0.00 0.00 0.00 0.00 17.79 20.84 1xwf h ALA 14 CO -0.00 -0.87 0.45 0.00 0.00 0.00 0.00 179.25 178.83 1xwf h ALA 15 N 0.32 1.91 0.06 0.00 0.00 -1.85 0.88 119.26 120.58 1xwf h ALA 15 Ca 0.14 0.26 -0.20 0.00 0.00 0.00 0.00 54.91 55.11 1xwf h ALA 15 Cb 0.37 0.32 0.02 0.00 0.00 0.00 0.00 17.79 18.50 1xwf h ALA 15 CO -0.83 -0.77 -0.81 2.35 0.00 0.00 0.00 179.25 179.19 1xwf h TRP 16 N 0.10 0.71 -0.99 0.00 7.01 -1.53 -2.63 115.95 118.62 1xwf h TRP 16 Ca 0.76 -0.43 0.08 0.00 2.11 0.00 0.00 58.89 61.42 1xwf h TRP 16 Cb 1.88 -0.06 -0.07 0.00 -2.10 0.00 0.00 29.16 28.80 1xwf h TRP 16 CO -0.10 1.27 0.63 0.78 -2.79 0.00 0.00 178.44 178.24 1xwf h GLY 17 N -0.05 1.52 1.46 2.65 0.00 0.17 0.19 103.07 109.00 1xwf h GLY 17 Ca -0.12 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 1xwf h GLY 17 CO 0.16 0.27 0.07 -0.09 0.00 0.00 0.00 176.54 176.95 1xwf h ARG 18 N 1.09 0.68 -0.60 4.80 9.65 0.35 -1.48 114.38 128.87 1xwf h ARG 18 Ca 0.45 -0.14 0.05 0.00 -1.10 0.00 0.00 59.98 59.24 1xwf h ARG 18 Cb 0.29 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.71 1xwf h ARG 18 CO -0.20 0.65 0.32 0.87 2.80 0.00 0.00 179.97 184.41 1xwf h LYS 19 N 0.65 0.59 0.27 0.20 1.57 -0.27 -2.48 116.57 117.10 1xwf h LYS 19 Ca 0.14 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1xwf h LYS 19 Cb 0.30 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1xwf h LYS 19 CO 0.00 0.39 -0.13 0.00 -0.57 0.00 0.00 179.45 179.14 1xwf h ALA 20 N 1.32 -0.36 -0.59 3.86 0.00 -0.72 -2.89 119.26 119.88 1xwf h ALA 20 Ca 0.27 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.18 1xwf h ALA 20 Cb 0.17 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1xwf h ALA 20 CO -0.17 -0.57 0.54 -0.07 0.00 0.00 0.00 179.25 178.98 1xwf h LEU 21 N -0.62 0.00 0.22 0.00 3.38 -1.14 0.46 115.31 117.61 1xwf h LEU 21 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1xwf h LEU 21 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1xwf h LEU 21 CO 0.06 0.00 -0.10 0.44 0.09 0.00 0.00 178.44 178.93 1xwf h ASP 22 N 0.00 -0.25 -0.87 -0.43 3.32 -1.27 -1.68 116.42 115.25 1xwf h ASP 22 Ca 0.28 -0.27 0.04 0.00 0.02 0.00 0.00 57.03 57.10 1xwf h ASP 22 Cb 1.36 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.92 1xwf h ASP 22 CO -0.00 0.27 0.56 0.40 -1.72 0.00 0.00 179.24 178.74 1xwf h ILE 23 N -0.90 1.13 -0.61 0.35 5.03 -0.89 -2.95 117.51 118.66 1xwf h ILE 23 Ca -0.03 -0.37 -0.03 0.00 -0.12 0.00 0.00 64.86 64.31 1xwf h ILE 23 Cb 0.50 -0.04 -0.03 0.00 -3.03 0.00 0.00 36.82 34.22 1xwf h ILE 23 CO 0.05 0.20 0.25 0.00 -0.68 0.00 0.00 178.15 177.96 1xwf h ALA 24 N 1.37 0.79 -0.33 1.87 0.00 -0.20 -3.08 119.26 119.68 1xwf h ALA 24 Ca 0.35 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1xwf h ALA 24 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xwf h ALA 24 CO -0.12 0.41 0.25 0.93 0.00 0.00 0.00 179.25 180.72 1xwf h GLU 25 N 0.85 0.00 0.00 0.00 5.08 -1.11 0.18 114.58 119.58 1xwf h GLU 25 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1xwf h GLU 25 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1xwf h GLU 25 CO -0.02 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.08 1xwf n ASN 26 N -4.30 0.57 -0.33 1.42 4.13 -1.16 -2.73 115.26 112.87 1xwf n ASN 26 Ca 0.05 0.62 0.09 0.00 1.68 0.00 0.00 54.58 57.02 1xwf n ASN 26 Cb 0.42 -0.75 -0.03 0.00 -1.54 0.00 0.00 39.78 37.89 1xwf n ASN 26 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1xwf n GLU 27 N -2.11 1.39 -3.78 3.52 -0.58 0.04 -4.69 120.64 114.44 1xwf n GLU 27 Ca 0.03 -0.69 -0.28 0.00 -0.42 0.00 0.00 57.16 55.80 1xwf n GLU 27 Cb 0.26 -1.36 -0.11 0.00 -0.57 0.00 0.00 31.44 29.66 1xwf n GLU 27 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1xwf n MET 28 N -0.38 1.96 -0.31 3.49 0.00 -1.10 -3.07 117.12 117.70 1xwf n MET 28 Ca 0.07 -4.50 -0.03 0.00 0.00 0.00 0.00 57.70 53.24 1xwf n MET 28 Cb 0.37 -2.26 0.13 0.00 0.00 0.00 0.00 33.22 31.46 1xwf n MET 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1xwf h PRO 29 N 5.10 1.20 0.07 0.03 0.11 -1.84 -2.74 132.00 133.94 1xwf h PRO 29 Ca 0.16 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1xwf h PRO 29 Cb 0.73 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1xwf h PRO 29 CO 0.74 0.86 -0.13 0.78 -0.21 0.00 0.00 178.00 180.04 1xwf h GLY 30 N 1.23 -1.05 0.47 -0.55 0.00 -1.80 0.41 103.07 101.77 1xwf h GLY 30 Ca 0.31 0.48 0.11 0.00 0.00 0.00 0.00 47.33 48.22 1xwf h GLY 30 CO -0.05 -0.36 0.48 1.41 0.00 0.00 0.00 176.54 178.01 1xwf h LEU 31 N -0.21 0.68 -1.78 3.11 3.38 -1.75 0.15 115.31 118.88 1xwf h LEU 31 Ca -0.01 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1xwf h LEU 31 Cb 0.20 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1xwf h LEU 31 CO -0.05 0.37 -0.14 0.24 0.09 0.00 0.00 178.44 178.96 1xwf h MET 32 N 0.79 0.00 -0.01 1.13 2.86 -1.26 0.18 114.93 118.61 1xwf h MET 32 Ca 0.42 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 58.01 1xwf h MET 32 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1xwf h MET 32 CO -0.27 0.14 -0.19 -0.09 1.06 0.00 0.00 176.91 177.56 1xwf h ARG 33 N 0.00 0.15 -0.99 1.72 9.65 0.24 -2.92 114.38 122.22 1xwf h ARG 33 Ca -0.00 -0.15 0.22 0.00 -1.10 0.00 0.00 59.98 58.95 1xwf h ARG 33 Cb 0.25 0.04 -0.10 0.00 -1.39 0.00 0.00 29.97 28.77 1xwf h ARG 33 CO 0.02 0.86 0.62 0.52 2.80 0.00 0.00 179.97 184.79 1xwf h MET 34 N -0.51 0.56 -0.52 0.20 2.86 -0.07 0.53 114.93 117.97 1xwf h MET 34 Ca -0.02 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1xwf h MET 34 Cb 0.92 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1xwf h MET 34 CO 0.04 0.37 0.15 0.00 1.06 0.00 0.00 176.91 178.53 1xwf h ARG 35 N 0.57 0.82 0.41 1.72 3.08 -0.97 -1.06 114.38 118.96 1xwf h ARG 35 Ca 0.57 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.42 1xwf h ARG 35 Cb 1.15 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1xwf h ARG 35 CO -0.33 0.76 -0.20 0.93 -1.07 0.00 0.00 179.97 180.07 1xwf h GLU 36 N 0.72 -0.54 -0.43 0.04 5.08 0.14 0.43 114.58 120.02 1xwf h GLU 36 Ca 0.17 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.69 1xwf h GLU 36 Cb 0.29 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1xwf h GLU 36 CO -0.00 -0.36 0.51 0.52 -1.00 0.00 0.00 179.01 178.68 1xwf h MET 37 N -0.64 0.00 0.00 2.33 2.86 -1.00 -3.17 114.93 115.31 1xwf h MET 37 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1xwf h MET 37 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1xwf h MET 37 CO 0.09 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.72 1xwf n TYR 38 N -3.60 0.00 -0.06 -0.22 4.01 -0.40 -4.72 117.16 112.16 1xwf n TYR 38 Ca 0.08 -0.04 0.07 0.00 -0.16 0.00 0.00 57.90 57.86 1xwf n TYR 38 Cb 0.69 -0.00 0.44 0.00 -0.31 0.00 0.00 39.34 40.15 1xwf n TYR 38 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1xwf h SER 39 N 0.00 0.47 0.01 7.72 0.87 -0.09 -0.12 113.55 122.41 1xwf h SER 39 Ca 0.00 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xwf h SER 39 Cb 0.28 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1xwf h SER 39 CO 0.00 0.31 -0.01 0.00 -0.53 0.00 0.00 176.83 176.61 1xwf h ALA 40 N 1.70 -0.02 -0.96 6.23 0.00 -1.81 -3.33 119.26 121.08 1xwf h ALA 40 Ca 0.22 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 55.16 1xwf h ALA 40 Cb 0.21 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 1xwf h ALA 40 CO -0.06 -0.02 0.62 0.77 0.00 0.00 0.00 179.25 180.56 1xwf h SER 41 N -1.00 0.46 -6.24 0.00 0.02 -1.82 -3.45 113.55 101.52 1xwf h SER 41 Ca -0.00 0.06 -0.45 0.00 -0.84 0.00 0.00 61.79 60.55 1xwf h SER 41 Cb 0.39 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1xwf h SER 41 CO 0.00 0.16 -0.82 0.29 -1.14 0.00 0.00 176.83 175.32 1xwf n LYS 42 N -4.56 -4.71 0.00 3.45 4.76 -0.07 -4.78 118.16 112.25 1xwf n LYS 42 Ca 0.21 0.57 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 1xwf n LYS 42 Cb 0.73 -5.14 0.00 0.00 -1.84 0.00 0.00 35.03 28.79 1xwf n LYS 42 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1xwf n PRO 43 N -4.41 0.00 -0.22 1.97 -0.04 -1.19 -1.30 135.00 129.82 1xwf n PRO 43 Ca -0.20 0.08 0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1xwf n PRO 43 Cb 0.63 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.75 1xwf n PRO 43 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xwf n LEU 44 N -1.06 3.06 -4.72 1.53 4.77 0.02 -4.87 117.00 115.73 1xwf n LEU 44 Ca 0.00 -2.21 -0.42 0.00 -0.03 0.00 0.00 56.01 53.34 1xwf n LEU 44 Cb 0.00 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1xwf n LEU 44 CO 0.00 0.71 1.01 0.29 -1.33 0.00 0.00 177.39 178.07 1xwf n LYS 45 N 0.23 2.32 -0.14 3.23 4.76 0.66 -1.31 118.16 127.92 1xwf n LYS 45 Ca 0.13 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.39 1xwf n LYS 45 Cb 0.51 -2.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.23 1xwf n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xwf n GLY 46 N 0.97 2.16 3.75 0.72 0.00 -1.26 -5.01 105.19 106.52 1xwf n GLY 46 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1xwf n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwf s ALA 47 N -2.94 3.45 -0.50 4.61 0.00 -0.42 -4.99 121.76 120.98 1xwf s ALA 47 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 51.96 52.00 1xwf s ALA 47 Cb 0.00 -2.79 0.13 0.00 0.00 0.00 0.00 23.12 20.46 1xwf s ALA 47 CO 0.00 0.10 0.27 1.03 0.00 0.00 0.00 175.76 177.16 1xwf s ARG 48 N 0.04 2.10 -0.07 0.00 0.52 -1.26 -1.58 118.95 118.70 1xwf s ARG 48 Ca 0.32 -2.25 -0.26 0.00 -0.52 0.00 0.00 55.73 53.02 1xwf s ARG 48 Cb -0.18 -3.52 -0.03 0.00 0.52 0.00 0.00 34.95 31.75 1xwf s ARG 48 CO 0.17 -1.09 0.83 0.42 0.02 0.00 0.00 175.30 175.65 1xwf s ILE 49 N 0.38 4.94 -0.46 1.52 1.01 0.30 -2.11 121.20 126.78 1xwf s ILE 49 Ca 0.14 1.71 -0.12 0.00 0.00 0.00 0.00 60.65 62.38 1xwf s ILE 49 Cb -0.22 -4.17 0.09 0.00 0.01 0.00 0.00 42.46 38.18 1xwf s ILE 49 CO -0.04 0.16 0.35 0.00 0.00 0.00 0.00 174.94 175.42 1xwf s ALA 50 N 1.22 3.44 -0.08 9.38 0.00 -0.44 -1.38 121.76 133.88 1xwf s ALA 50 Ca 0.43 -2.29 -0.13 0.00 0.00 0.00 0.00 51.96 49.97 1xwf s ALA 50 Cb -0.19 -2.89 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 1xwf s ALA 50 CO 0.20 -1.78 0.32 0.20 0.00 0.00 0.00 175.76 174.70 1xwf s GLY 51 N 2.60 2.32 -0.35 0.00 0.00 -0.37 -2.27 107.32 109.24 1xwf s GLY 51 Ca 0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 44.72 44.38 1xwf s GLY 51 CO 0.03 0.18 0.17 0.00 0.00 0.00 0.00 173.10 173.47 1xwf s LEU 53 N 1.24 0.14 -0.29 0.00 0.20 -1.00 -2.56 118.68 116.41 1xwf s LEU 53 Ca 0.14 0.91 -0.31 0.00 0.69 0.00 0.00 54.13 55.56 1xwf s LEU 53 Cb -0.20 1.50 -0.14 0.00 -0.43 0.00 0.00 46.19 46.92 1xwf s LEU 53 CO -0.14 -0.17 1.04 1.41 -0.29 0.00 0.00 176.35 178.20 1xwf n HIS 54 N 3.33 1.08 -2.66 5.38 8.25 -1.26 -3.96 115.22 125.38 1xwf n HIS 54 Ca -0.17 0.78 -0.42 0.00 -0.26 0.00 0.00 57.72 57.65 1xwf n HIS 54 Cb 0.56 -1.51 -0.03 0.00 1.12 0.00 0.00 29.99 30.14 1xwf n HIS 54 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1xwf s MET 55 N 1.72 3.64 0.11 -0.41 1.75 -1.26 -4.68 119.30 120.18 1xwf s MET 55 Ca 0.70 -1.39 0.00 0.00 -1.25 0.00 0.00 55.69 53.76 1xwf s MET 55 Cb -1.00 -5.26 0.00 0.00 2.84 0.00 0.00 34.83 31.41 1xwf s MET 55 CO 0.53 -2.10 0.02 0.25 -0.65 0.00 0.00 175.02 173.08 1xwf n THR 56 N 6.45 0.00 0.03 10.11 -2.24 -1.26 0.16 114.28 127.54 1xwf n THR 56 Ca 0.32 -0.51 -0.05 0.00 -2.27 0.00 0.00 64.05 61.55 1xwf n THR 56 Cb 0.50 -0.03 0.17 0.00 -2.10 0.00 0.00 70.33 68.87 1xwf n THR 56 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1xwf h VAL 57 N 0.92 1.30 -0.06 2.28 2.07 -1.92 -2.26 116.25 118.59 1xwf h VAL 57 Ca -0.09 -1.49 -0.19 0.00 0.82 0.00 0.00 66.70 65.75 1xwf h VAL 57 Cb 0.28 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1xwf h VAL 57 CO 0.14 0.46 -0.77 -0.33 0.02 0.00 0.00 177.57 177.09 1xwf h GLU 58 N 0.36 0.38 -0.07 1.57 3.07 -1.96 -2.71 114.58 115.22 1xwf h GLU 58 Ca 0.04 -0.34 -0.10 0.00 -0.50 0.00 0.00 59.36 58.46 1xwf h GLU 58 Cb 0.83 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 1xwf h GLU 58 CO 0.07 0.99 -0.41 1.15 -1.40 0.00 0.00 179.01 179.41 1xwf h THR 59 N 0.25 1.31 -0.14 1.13 2.02 -1.81 -1.88 112.91 113.79 1xwf h THR 59 Ca -0.04 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.66 1xwf h THR 59 Cb 1.36 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 1xwf h THR 59 CO 0.13 0.43 0.09 0.00 0.37 0.00 0.00 175.52 176.55 1xwf h ALA 60 N 1.46 0.18 -0.24 6.16 0.00 -1.27 0.47 119.26 126.01 1xwf h ALA 60 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xwf h ALA 60 Cb 0.78 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1xwf h ALA 60 CO 0.06 -0.32 0.12 0.28 0.00 0.00 0.00 179.25 179.38 1xwf h VAL 61 N 0.18 1.09 0.05 0.00 2.07 -1.13 -1.67 116.25 116.84 1xwf h VAL 61 Ca 0.05 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1xwf h VAL 61 Cb -0.00 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1xwf h VAL 61 CO -0.01 0.10 -0.02 0.25 0.02 0.00 0.00 177.57 177.90 1xwf h LEU 62 N 0.33 -0.06 -0.30 2.57 5.85 -0.35 -2.59 115.31 120.77 1xwf h LEU 62 Ca 0.09 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.49 1xwf h LEU 62 Cb 0.04 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1xwf h LEU 62 CO -0.01 0.35 -0.00 0.40 -0.34 0.00 0.00 178.44 178.83 1xwf h ILE 63 N -0.47 0.78 0.00 4.05 2.04 0.27 0.12 117.51 124.30 1xwf h ILE 63 Ca -0.01 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1xwf h ILE 63 Cb 0.42 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1xwf h ILE 63 CO 0.01 0.02 0.00 -0.33 0.00 0.00 0.00 178.15 177.85 1xwf h GLU 64 N 0.08 0.00 0.05 2.37 5.08 -1.37 -2.62 114.58 118.17 1xwf h GLU 64 Ca 0.14 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.25 1xwf h GLU 64 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1xwf h GLU 64 CO -0.24 0.00 -1.25 1.15 -1.00 0.00 0.00 179.01 177.67 1xwf h THR 65 N 0.00 1.44 -0.07 1.13 2.02 -0.37 -2.48 112.91 114.58 1xwf h THR 65 Ca 0.00 -3.13 -0.23 0.00 0.77 0.00 0.00 66.41 63.82 1xwf h THR 65 Cb 0.33 2.79 0.01 0.00 -1.74 0.00 0.00 68.15 69.54 1xwf h THR 65 CO 0.00 0.86 -0.88 -0.07 0.37 0.00 0.00 175.52 175.80 1xwf h LEU 66 N 0.03 0.82 -0.37 2.58 3.38 -1.10 -2.80 115.31 117.85 1xwf h LEU 66 Ca -0.12 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.21 1xwf h LEU 66 Cb 1.89 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 1xwf h LEU 66 CO 0.14 1.38 0.02 0.58 0.09 0.00 0.00 178.44 180.65 1xwf h VAL 67 N 0.42 1.25 -0.07 1.22 2.07 -1.58 -2.42 116.25 117.14 1xwf h VAL 67 Ca -0.08 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.52 1xwf h VAL 67 Cb 1.51 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1xwf h VAL 67 CO 0.17 0.32 0.05 0.00 0.02 0.00 0.00 177.57 178.13 1xwf h ALA 68 N 0.88 2.01 -0.21 1.67 0.00 -1.45 0.75 119.26 122.92 1xwf h ALA 68 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xwf h ALA 68 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xwf h ALA 68 CO 0.02 -0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.46 1xwf n LEU 69 N -4.44 2.18 -2.59 0.00 4.32 -0.93 -4.42 117.00 111.13 1xwf n LEU 69 Ca -0.01 -1.10 -0.02 0.00 -0.02 0.00 0.00 56.01 54.86 1xwf n LEU 69 Cb 0.16 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.52 1xwf n LEU 69 CO 0.34 0.36 -0.31 0.61 -1.22 0.00 0.00 177.39 177.17 1xwf n GLY 70 N 0.42 -3.40 3.57 -0.72 0.00 0.26 -0.80 105.19 104.52 1xwf n GLY 70 Ca 0.09 0.56 -0.15 0.00 0.00 0.00 0.00 46.02 46.52 1xwf n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwf s ALA 71 N -1.67 -1.82 0.13 4.61 0.00 -1.17 -0.24 121.76 121.60 1xwf s ALA 71 Ca 0.06 1.58 -0.19 0.00 0.00 0.00 0.00 51.96 53.41 1xwf s ALA 71 Cb -0.02 -0.53 -0.07 0.00 0.00 0.00 0.00 23.12 22.50 1xwf s ALA 71 CO 0.68 -0.34 0.62 -1.21 0.00 0.00 0.00 175.76 175.51 1xwf s GLU 72 N -0.67 4.22 0.02 0.00 0.41 -0.62 -4.25 118.70 117.81 1xwf s GLU 72 Ca -0.06 0.77 0.01 0.00 -0.41 0.00 0.00 54.97 55.28 1xwf s GLU 72 Cb -0.02 -3.12 -0.02 0.00 -1.78 0.00 0.00 34.13 29.20 1xwf s GLU 72 CO 0.05 0.56 -0.04 0.08 -0.49 0.00 0.00 175.26 175.42 1xwf s VAL 73 N -1.26 0.21 -0.07 2.63 1.01 -1.26 -0.54 120.40 121.13 1xwf s VAL 73 Ca 0.34 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 1xwf s VAL 73 Cb -0.19 -0.33 0.04 0.00 0.00 0.00 0.00 36.38 35.91 1xwf s VAL 73 CO 0.20 -0.44 0.08 -0.13 0.00 0.00 0.00 175.10 174.82 1xwf s ARG 74 N -1.39 -0.04 0.21 2.72 0.52 -0.48 -4.28 118.95 116.22 1xwf s ARG 74 Ca -0.13 0.35 0.09 0.00 -0.52 0.00 0.00 55.73 55.51 1xwf s ARG 74 Cb -0.09 -0.64 -0.04 0.00 0.52 0.00 0.00 34.95 34.69 1xwf s ARG 74 CO -0.01 -0.37 -0.03 -0.46 0.02 0.00 0.00 175.30 174.45 1xwf s TRP 75 N 2.19 2.73 -0.22 -0.53 -0.11 -0.70 -1.24 118.94 121.06 1xwf s TRP 75 Ca 0.04 -0.19 -0.17 0.00 1.22 0.00 0.00 56.10 57.00 1xwf s TRP 75 Cb -0.13 -1.28 0.06 0.00 -1.50 0.00 0.00 33.47 30.62 1xwf s TRP 75 CO -0.04 0.55 0.56 -1.54 -4.62 0.00 0.00 176.95 171.86 1xwf s SER 76 N -3.19 -0.65 0.32 5.86 1.04 -0.53 -1.24 113.70 115.32 1xwf s SER 76 Ca 0.28 1.17 -0.29 0.00 0.48 0.00 0.00 55.95 57.60 1xwf s SER 76 Cb -0.08 1.14 -0.10 0.00 0.10 0.00 0.00 66.02 67.08 1xwf s SER 76 CO 0.18 -0.21 1.23 -0.55 0.98 0.00 0.00 173.24 174.88 1xwf s SER 77 N 0.75 6.90 0.00 7.02 0.15 -1.26 -2.36 113.70 124.91 1xwf s SER 77 Ca -0.04 2.53 0.31 0.00 0.70 0.00 0.00 55.95 59.46 1xwf s SER 77 Cb -0.05 -2.64 1.76 0.00 -1.71 0.00 0.00 66.02 63.38 1xwf s SER 77 CO -0.06 -0.43 2.14 0.00 1.20 0.00 0.00 173.24 176.10 1xwf s ASN 79 N -2.02 0.62 0.37 0.00 3.84 -1.26 -4.91 114.94 111.57 1xwf s ASN 79 Ca 0.46 -0.60 0.23 0.00 0.21 0.00 0.00 52.86 53.16 1xwf s ASN 79 Cb 0.22 0.08 0.37 0.00 -0.55 0.00 0.00 41.25 41.37 1xwf s ASN 79 CO 0.37 -0.29 1.56 0.16 -2.79 0.00 0.00 177.10 176.11 1xwf h ILE 80 N 4.33 0.00 0.00 -5.21 3.07 -1.90 -3.38 117.51 114.42 1xwf h ILE 80 Ca -0.34 -0.90 -0.03 0.00 1.55 0.00 0.00 64.86 65.13 1xwf h ILE 80 Cb 1.20 1.83 -0.01 0.00 -0.27 0.00 0.00 36.82 39.57 1xwf h ILE 80 CO 0.45 0.00 -1.19 0.49 -1.05 0.00 0.00 178.15 176.85 1xwf n PHE 81 N -2.89 0.00 0.28 0.16 3.72 -1.26 0.10 117.46 117.57 1xwf n PHE 81 Ca 0.04 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.62 1xwf n PHE 81 Cb 0.51 -0.12 0.94 0.00 -0.94 0.00 0.00 39.48 39.87 1xwf n PHE 81 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1xwf h SER 82 N 0.00 0.00 -4.13 4.37 4.64 -1.91 -3.43 113.55 113.10 1xwf h SER 82 Ca -0.05 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.72 1xwf h SER 82 Cb 0.72 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.97 1xwf h SER 82 CO 0.00 0.00 0.48 -0.89 -0.87 0.00 0.00 176.83 175.55 1xwf s THR 83 N -3.87 2.13 -0.43 2.95 2.01 -1.26 -4.56 115.64 112.60 1xwf s THR 83 Ca -0.03 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.07 1xwf s THR 83 Cb 0.10 -2.92 0.12 0.00 0.01 0.00 0.00 72.50 69.81 1xwf s THR 83 CO 0.34 -0.02 0.19 -1.10 -0.69 0.00 0.00 174.62 173.34 1xwf s GLN 84 N -3.52 1.51 0.32 4.92 -0.21 0.12 -4.61 119.66 118.19 1xwf s GLN 84 Ca 0.80 -2.09 0.19 0.00 0.02 0.00 0.00 55.36 54.28 1xwf s GLN 84 Cb -0.35 -2.83 1.13 0.00 1.00 0.00 0.00 33.01 31.96 1xwf s GLN 84 CO 0.41 -1.08 1.29 -0.25 -2.12 0.00 0.00 175.29 173.54 1xwf n ASP 85 N 3.69 0.26 0.09 5.90 10.43 -1.26 0.82 116.55 136.47 1xwf n ASP 85 Ca 0.05 1.30 -0.06 0.00 2.57 0.00 0.00 54.79 58.65 1xwf n ASP 85 Cb 0.36 -0.64 -0.02 0.00 1.84 0.00 0.00 41.12 42.66 1xwf n ASP 85 CO 0.00 0.00 0.00 1.12 -1.07 0.00 0.00 177.20 177.25 1xwf h HIS 86 N 0.00 0.06 -0.04 1.24 2.07 -1.91 0.98 115.15 117.56 1xwf h HIS 86 Ca 0.70 -0.04 -0.01 0.00 -2.85 0.00 0.00 60.37 58.17 1xwf h HIS 86 Cb 1.95 -0.01 -0.00 0.00 2.57 0.00 0.00 27.41 31.92 1xwf h HIS 86 CO -0.01 0.90 -0.02 0.00 -3.07 0.00 0.00 177.93 175.74 1xwf h ALA 87 N 1.09 0.06 -0.30 6.11 0.00 0.08 -2.10 119.26 124.20 1xwf h ALA 87 Ca -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1xwf h ALA 87 Cb 1.55 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1xwf h ALA 87 CO 0.12 -0.22 0.05 0.00 0.00 0.00 0.00 179.25 179.20 1xwf h ALA 88 N 0.62 1.54 0.45 0.00 0.00 -1.04 -2.86 119.26 117.98 1xwf h ALA 88 Ca 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1xwf h ALA 88 Cb 0.43 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1xwf h ALA 88 CO 0.01 0.34 -0.44 0.00 0.00 0.00 0.00 179.25 179.16 1xwf h ALA 89 N 1.64 -1.11 -0.51 0.00 0.00 -0.52 -2.11 119.26 116.65 1xwf h ALA 89 Ca 0.10 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1xwf h ALA 89 Cb 0.20 0.66 -0.10 0.00 0.00 0.00 0.00 17.79 18.55 1xwf h ALA 89 CO -0.00 -1.13 -0.45 0.00 0.00 0.00 0.00 179.25 177.67 1xwf h ALA 90 N -1.04 -0.42 -0.65 0.00 0.00 -1.17 -0.41 119.26 115.56 1xwf h ALA 90 Ca -0.06 0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.10 1xwf h ALA 90 Cb 0.76 0.97 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1xwf h ALA 90 CO -0.04 -0.87 0.46 0.82 0.00 0.00 0.00 179.25 179.61 1xwf h ILE 91 N -0.28 0.71 0.29 0.00 2.04 -1.37 -0.27 117.51 118.65 1xwf h ILE 91 Ca 0.15 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1xwf h ILE 91 Cb 0.57 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1xwf h ILE 91 CO -0.64 0.02 -0.14 0.00 0.00 0.00 0.00 178.15 177.38 1xwf h ALA 92 N 1.68 -0.39 -0.88 1.87 0.00 -0.40 -2.75 119.26 118.38 1xwf h ALA 92 Ca 0.31 -0.12 0.26 0.00 0.00 0.00 0.00 54.91 55.36 1xwf h ALA 92 Cb 1.10 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1xwf h ALA 92 CO -0.03 -0.38 0.91 -0.22 0.00 0.00 0.00 179.25 179.52 1xwf h LYS 93 N -1.07 0.00 0.00 0.00 3.11 -0.78 1.81 116.57 119.64 1xwf h LYS 93 Ca -0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1xwf h LYS 93 Cb 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.60 1xwf h LYS 93 CO 0.07 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.71 1xwf n ALA 94 N -2.38 2.50 -2.71 5.00 0.00 -0.16 -4.88 120.51 117.88 1xwf n ALA 94 Ca 0.19 -0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 1xwf n ALA 94 Cb 1.19 -1.39 0.03 0.00 0.00 0.00 0.00 19.45 19.28 1xwf n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwf n GLY 95 N 0.66 0.39 2.99 0.00 0.00 0.62 -5.05 105.19 104.80 1xwf n GLY 95 Ca 0.18 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 1xwf n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xwf s ILE 96 N -3.10 1.12 -0.08 -0.61 1.01 -1.05 -5.05 121.20 113.43 1xwf s ILE 96 Ca 0.12 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 1xwf s ILE 96 Cb -0.05 -1.05 -0.07 0.00 0.01 0.00 0.00 42.46 41.30 1xwf s ILE 96 CO 0.23 0.36 2.02 -2.84 0.00 0.00 0.00 174.94 174.71 1xwf s PRO 97 N 0.94 3.73 -0.02 2.79 0.02 -1.25 -4.19 135.00 137.03 1xwf s PRO 97 Ca -0.09 2.30 0.02 0.00 0.02 0.00 0.00 61.00 63.24 1xwf s PRO 97 Cb -0.15 -4.23 0.00 0.00 0.02 0.00 0.00 34.50 30.15 1xwf s PRO 97 CO 0.00 -1.42 -0.06 0.08 -0.33 0.00 0.00 177.00 175.28 1xwf s VAL 98 N 5.97 0.50 -0.56 3.83 1.01 -1.26 -1.73 120.40 128.17 1xwf s VAL 98 Ca 0.91 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.72 1xwf s VAL 98 Cb -0.37 -0.46 0.18 0.00 0.00 0.00 0.00 36.38 35.73 1xwf s VAL 98 CO 0.38 0.17 0.45 0.49 0.00 0.00 0.00 175.10 176.58 1xwf n PHE 99 N 3.27 1.32 -3.78 5.22 3.72 -0.37 0.69 117.46 127.52 1xwf n PHE 99 Ca -0.17 -3.84 -0.13 0.00 -0.05 0.00 0.00 57.45 53.26 1xwf n PHE 99 Cb 0.55 -0.23 -0.10 0.00 -0.94 0.00 0.00 39.48 38.76 1xwf n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xwf s ALA 100 N -0.87 -0.69 -0.05 4.37 0.00 -0.92 -4.10 121.76 119.50 1xwf s ALA 100 Ca 0.30 0.53 -0.29 0.00 0.00 0.00 0.00 51.96 52.50 1xwf s ALA 100 Cb 0.02 -0.21 0.11 0.00 0.00 0.00 0.00 23.12 23.03 1xwf s ALA 100 CO -0.17 -0.19 0.90 1.67 0.00 0.00 0.00 175.76 177.98 1xwf s TRP 101 N -0.55 -0.37 0.61 0.00 -2.14 -1.26 -3.91 118.94 111.32 1xwf s TRP 101 Ca -0.07 0.36 -0.19 0.00 2.66 0.00 0.00 56.10 58.86 1xwf s TRP 101 Cb -0.04 0.51 -0.03 0.00 -3.10 0.00 0.00 33.47 30.81 1xwf s TRP 101 CO 0.02 -0.50 1.29 0.21 -2.66 0.00 0.00 176.95 175.31 1xwf s LYS 102 N -2.54 2.82 -0.43 3.25 2.47 -1.26 -4.18 119.74 119.87 1xwf s LYS 102 Ca 0.03 2.04 -0.17 0.00 -1.56 0.00 0.00 55.97 56.31 1xwf s LYS 102 Cb -0.01 -1.98 0.02 0.00 -1.46 0.00 0.00 37.83 34.41 1xwf s LYS 102 CO -0.06 -1.38 0.45 0.41 0.16 0.00 0.00 175.35 174.93 1xwf n GLY 103 N 0.76 -0.30 3.97 5.54 0.00 0.29 -4.96 105.19 110.49 1xwf n GLY 103 Ca 0.14 0.66 -0.21 0.00 0.00 0.00 0.00 46.02 46.61 1xwf n GLY 103 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xwf s GLU 104 N -2.70 3.24 0.40 1.61 -1.05 -1.12 -5.02 118.70 114.05 1xwf s GLU 104 Ca 0.16 -0.74 -0.12 0.00 -0.15 0.00 0.00 54.97 54.12 1xwf s GLU 104 Cb -0.02 -2.76 -0.07 0.00 -0.44 0.00 0.00 34.13 30.84 1xwf s GLU 104 CO 0.62 0.10 0.77 0.95 0.95 0.00 0.00 175.26 178.66 1xwf s THR 105 N -2.22 4.75 0.37 1.83 -4.23 -1.26 -4.79 115.64 110.08 1xwf s THR 105 Ca 0.42 0.71 0.18 0.00 -1.18 0.00 0.00 61.69 61.82 1xwf s THR 105 Cb -0.09 -3.71 0.37 0.00 1.34 0.00 0.00 72.50 70.40 1xwf s THR 105 CO 0.33 -0.47 1.68 0.44 -0.54 0.00 0.00 174.62 176.06 1xwf h ASP 106 N 1.42 0.47 -0.11 3.99 3.32 -1.99 1.13 116.42 124.65 1xwf h ASP 106 Ca -0.47 0.16 -0.14 0.00 0.02 0.00 0.00 57.03 56.60 1xwf h ASP 106 Cb 1.18 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 1xwf h ASP 106 CO 0.64 -0.09 -0.40 -0.33 -1.72 0.00 0.00 179.24 177.34 1xwf h GLU 107 N 0.31 0.64 -0.12 3.56 3.07 -2.00 -2.72 114.58 117.32 1xwf h GLU 107 Ca 0.72 -0.33 -0.05 0.00 -0.50 0.00 0.00 59.36 59.21 1xwf h GLU 107 Cb 1.78 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.69 1xwf h GLU 107 CO -0.51 0.93 -0.11 0.93 -1.40 0.00 0.00 179.01 178.85 1xwf h GLU 108 N 0.52 0.29 -0.01 2.33 5.08 0.71 -2.20 114.58 121.29 1xwf h GLU 108 Ca 0.04 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1xwf h GLU 108 Cb 0.92 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1xwf h GLU 108 CO 0.08 0.68 -0.17 -0.92 -1.00 0.00 0.00 179.01 177.69 1xwf h TYR 109 N -0.10 -0.49 -1.11 4.33 3.20 -0.27 0.43 116.97 122.95 1xwf h TYR 109 Ca 0.02 0.02 0.33 0.00 3.14 0.00 0.00 58.73 62.24 1xwf h TYR 109 Cb 0.63 0.22 -0.12 0.00 1.54 0.00 0.00 36.73 38.99 1xwf h TYR 109 CO 0.08 -0.18 0.69 1.25 -1.64 0.00 0.00 178.16 178.37 1xwf h LEU 110 N -0.20 0.42 0.17 2.82 7.12 -1.56 0.41 115.31 124.49 1xwf h LEU 110 Ca 0.01 0.14 -0.01 0.00 0.13 0.00 0.00 57.88 58.14 1xwf h LEU 110 Cb 0.22 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 1xwf h LEU 110 CO -0.12 -0.07 -0.08 -0.25 -0.13 0.00 0.00 178.44 177.80 1xwf h TRP 111 N 0.29 -0.21 -0.34 1.25 7.01 -0.52 -2.71 115.95 120.73 1xwf h TRP 111 Ca 0.71 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.78 1xwf h TRP 111 Cb 1.87 0.07 -0.08 0.00 -2.10 0.00 0.00 29.16 28.91 1xwf h TRP 111 CO -0.01 0.06 -0.29 0.00 -2.79 0.00 0.00 178.44 175.41 1xwf h ILE 113 N -0.26 0.44 -0.59 0.00 2.04 -1.30 -0.93 117.51 116.90 1xwf h ILE 113 Ca 0.16 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.17 1xwf h ILE 113 Cb 0.51 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1xwf h ILE 113 CO -0.48 0.00 0.42 -0.33 0.00 0.00 0.00 178.15 177.75 1xwf h GLU 114 N -0.21 0.12 0.00 2.37 5.08 -1.00 0.41 114.58 121.34 1xwf h GLU 114 Ca 0.14 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1xwf h GLU 114 Cb 0.43 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1xwf h GLU 114 CO -0.38 0.08 0.00 1.04 -1.00 0.00 0.00 179.01 178.75 1xwf n GLN 115 N -4.41 0.01 0.00 2.33 1.13 -0.36 -1.85 117.38 114.23 1xwf n GLN 115 Ca 0.11 0.32 0.10 0.00 -1.94 0.00 0.00 57.00 55.59 1xwf n GLN 115 Cb 0.58 -1.51 -0.11 0.00 0.11 0.00 0.00 30.24 29.31 1xwf n GLN 115 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1xwf n THR 116 N -1.52 0.00 -0.28 5.09 -2.24 0.13 -4.44 114.28 111.03 1xwf n THR 116 Ca 0.02 -0.01 -0.06 0.00 -2.27 0.00 0.00 64.05 61.73 1xwf n THR 116 Cb 0.12 1.00 0.07 0.00 -2.10 0.00 0.00 70.33 69.42 1xwf n THR 116 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xwf h LEU 117 N 0.13 1.10 -8.79 3.22 3.38 -1.43 -3.44 115.31 109.48 1xwf h LEU 117 Ca 0.00 -0.19 -0.67 0.00 0.09 0.00 0.00 57.88 57.11 1xwf h LEU 117 Cb 0.51 -0.29 -0.24 0.00 0.09 0.00 0.00 40.66 40.73 1xwf h LEU 117 CO 0.00 0.99 -0.76 -1.00 0.09 0.00 0.00 178.44 177.77 1xwf s HIS 118 N -5.48 2.79 0.06 1.13 3.76 -1.26 -1.11 115.29 115.18 1xwf s HIS 118 Ca -0.12 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.42 1xwf s HIS 118 Cb 0.15 -1.75 0.01 0.00 1.11 0.00 0.00 32.58 32.10 1xwf s HIS 118 CO 0.84 0.00 0.07 1.19 -0.85 0.00 0.00 174.74 176.00 1xwf n PHE 119 N 2.93 -2.36 -0.34 1.40 3.01 0.24 -4.97 117.46 117.38 1xwf n PHE 119 Ca -0.18 -0.24 0.10 0.00 1.01 0.00 0.00 57.45 58.14 1xwf n PHE 119 Cb 0.52 -0.06 0.32 0.00 -0.01 0.00 0.00 39.48 40.26 1xwf n PHE 119 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1xwf n LYS 120 N -0.95 3.09 -0.07 -1.08 -0.00 -1.26 -3.55 118.16 114.33 1xwf n LYS 120 Ca 0.01 -2.60 0.02 0.00 -0.00 0.00 0.00 58.31 55.74 1xwf n LYS 120 Cb 0.07 -1.70 0.02 0.00 -0.00 0.00 0.00 35.03 33.42 1xwf n LYS 120 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xwf n ASP 121 N 1.31 1.24 0.00 -5.58 8.00 -1.26 -5.12 116.55 115.14 1xwf n ASP 121 Ca 0.24 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.84 1xwf n ASP 121 Cb 0.71 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1xwf n ASP 121 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xwf n GLY 122 N -0.46 0.49 3.95 0.44 0.00 -1.23 -5.10 105.19 103.29 1xwf n GLY 122 Ca 0.03 -2.20 -0.28 0.00 0.00 0.00 0.00 46.02 43.58 1xwf n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xwf s PRO 123 N -0.54 1.01 0.67 1.61 0.04 -1.26 0.82 135.00 137.36 1xwf s PRO 123 Ca 0.00 -0.67 -0.16 0.00 0.04 0.00 0.00 61.00 60.20 1xwf s PRO 123 Cb 0.00 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1xwf s PRO 123 CO 0.00 -2.07 1.21 -0.48 0.04 0.00 0.00 177.00 175.70 1xwf s LEU 124 N -5.62 3.45 0.00 -3.56 2.34 -0.27 -4.69 118.68 110.33 1xwf s LEU 124 Ca 0.71 2.36 0.00 0.00 0.06 0.00 0.00 54.13 57.26 1xwf s LEU 124 Cb -0.04 -4.59 0.00 0.00 -0.56 0.00 0.00 46.19 41.00 1xwf s LEU 124 CO 0.50 -1.97 0.43 -0.46 -1.06 0.00 0.00 176.35 173.79 1xwf n ASN 125 N -2.27 0.76 -3.73 1.48 0.23 -0.90 -4.26 115.26 106.58 1xwf n ASN 125 Ca 0.13 -1.15 -0.13 0.00 -0.53 0.00 0.00 54.58 52.90 1xwf n ASN 125 Cb 0.50 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.10 1xwf n ASN 125 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1xwf s MET 126 N -0.15 0.44 -0.07 -3.83 -1.94 -1.14 0.28 119.30 112.87 1xwf s MET 126 Ca 0.00 0.58 0.04 0.00 -1.71 0.00 0.00 55.69 54.60 1xwf s MET 126 Cb 0.00 0.17 -0.01 0.00 2.01 0.00 0.00 34.83 37.00 1xwf s MET 126 CO 0.00 -0.07 -0.20 0.42 -0.01 0.00 0.00 175.02 175.15 1xwf s ILE 127 N 0.43 2.47 -0.31 2.53 1.01 -0.30 -1.33 121.20 125.69 1xwf s ILE 127 Ca -0.02 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.74 1xwf s ILE 127 Cb -0.04 -1.95 0.09 0.00 0.01 0.00 0.00 42.46 40.58 1xwf s ILE 127 CO -0.02 0.56 0.05 -0.22 0.00 0.00 0.00 174.94 175.31 1xwf s LEU 128 N -0.13 3.37 0.10 2.97 0.20 -0.96 -1.87 118.68 122.36 1xwf s LEU 128 Ca -0.03 -1.76 0.08 0.00 0.69 0.00 0.00 54.13 53.11 1xwf s LEU 128 Cb -0.14 -1.25 -0.04 0.00 -0.43 0.00 0.00 46.19 44.33 1xwf s LEU 128 CO 0.04 -0.36 -0.15 -0.62 -0.29 0.00 0.00 176.35 174.96 1xwf s ASP 129 N 1.27 4.04 -0.19 3.68 -1.08 -0.95 -1.23 116.67 122.22 1xwf s ASP 129 Ca 0.07 -0.48 0.14 0.00 -0.52 0.00 0.00 52.55 51.76 1xwf s ASP 129 Cb -0.18 -0.65 0.44 0.00 -1.46 0.00 0.00 42.92 41.06 1xwf s ASP 129 CO -0.14 0.19 1.20 -0.67 0.52 0.00 0.00 175.17 176.27 1xwf n ASP 130 N 0.88 2.17 0.00 -0.34 2.03 -1.06 -3.19 116.55 117.04 1xwf n ASP 130 Ca -0.15 -3.35 0.00 0.00 0.52 0.00 0.00 54.79 51.81 1xwf n ASP 130 Cb 0.52 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1xwf n ASP 130 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xwf n GLY 131 N -0.67 0.00 2.42 0.27 0.00 -1.26 -4.75 105.19 101.20 1xwf n GLY 131 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1xwf n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xwf n GLY 132 N 0.00 0.60 0.22 -0.02 0.00 -1.26 -4.32 105.19 100.41 1xwf n GLY 132 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1xwf n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xwf h ASP 133 N 0.00 0.56 0.44 1.61 5.19 -1.96 0.61 116.42 122.87 1xwf h ASP 133 Ca 0.00 -0.25 -0.16 0.00 -0.62 0.00 0.00 57.03 56.00 1xwf h ASP 133 Cb 0.06 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 1xwf h ASP 133 CO 0.00 0.91 -0.69 0.25 -3.12 0.00 0.00 179.24 176.60 1xwf h LEU 134 N 0.43 0.25 0.04 1.55 7.12 -1.93 -2.03 115.31 120.74 1xwf h LEU 134 Ca 0.03 -0.16 -0.00 0.00 0.13 0.00 0.00 57.88 57.88 1xwf h LEU 134 Cb 0.92 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.98 1xwf h LEU 134 CO 0.08 0.86 -0.02 0.74 -0.13 0.00 0.00 178.44 179.97 1xwf h THR 135 N 0.15 1.22 0.13 1.05 2.02 -1.87 -3.21 112.91 112.40 1xwf h THR 135 Ca -0.02 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.46 1xwf h THR 135 Cb 1.23 2.22 -0.02 0.00 -1.74 0.00 0.00 68.15 69.84 1xwf h THR 135 CO 0.10 0.38 -0.24 0.78 0.37 0.00 0.00 175.52 176.92 1xwf h ASN 136 N -0.91 -0.68 -0.87 4.18 -0.26 0.13 -1.11 115.58 116.06 1xwf h ASN 136 Ca -0.01 0.07 0.16 0.00 -0.56 0.00 0.00 56.30 55.96 1xwf h ASN 136 Cb 0.66 0.24 -0.16 0.00 -1.06 0.00 0.00 38.32 38.01 1xwf h ASN 136 CO 0.01 -0.27 -0.26 -0.11 -1.06 0.00 0.00 177.43 175.74 1xwf n LEU 137 N -3.78 -0.40 0.06 1.61 7.94 -0.76 -1.15 117.00 120.53 1xwf n LEU 137 Ca -0.05 1.50 -0.03 0.00 -1.11 0.00 0.00 56.01 56.33 1xwf n LEU 137 Cb 0.20 -0.41 -0.01 0.00 0.53 0.00 0.00 43.42 43.72 1xwf n LEU 137 CO 0.09 -1.40 0.41 0.40 -1.11 0.00 0.00 177.39 175.78 1xwf h ILE 138 N 0.00 0.00 -0.76 1.96 2.04 -1.49 0.07 117.51 119.33 1xwf h ILE 138 Ca 0.38 -0.03 0.23 0.00 1.00 0.00 0.00 64.86 66.44 1xwf h ILE 138 Cb 0.59 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.53 1xwf h ILE 138 CO -0.88 0.00 0.10 1.41 0.00 0.00 0.00 178.15 178.78 1xwf n HIS 139 N -2.51 0.57 1.05 1.37 8.25 -0.44 -0.21 115.22 123.30 1xwf n HIS 139 Ca -0.02 0.91 0.11 0.00 -0.26 0.00 0.00 57.72 58.47 1xwf n HIS 139 Cb 0.06 -1.12 0.10 0.00 1.12 0.00 0.00 29.99 30.15 1xwf n HIS 139 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1xwf n THR 140 N -4.99 0.00 0.00 1.59 -2.24 -0.30 -4.17 114.28 104.17 1xwf n THR 140 Ca 0.20 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1xwf n THR 140 Cb 0.67 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 1xwf n THR 140 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xwf n LYS 141 N -0.88 3.49 -1.84 -0.78 5.02 0.22 -4.84 118.16 118.55 1xwf n LYS 141 Ca 0.08 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.36 1xwf n LYS 141 Cb 0.38 -0.35 0.06 0.00 -0.02 0.00 0.00 35.03 35.09 1xwf n LYS 141 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xwf n HIS 142 N -0.57 0.76 -0.45 2.13 8.25 0.71 -4.93 115.22 121.13 1xwf n HIS 142 Ca 0.00 -1.41 0.36 0.00 -0.26 0.00 0.00 57.72 56.41 1xwf n HIS 142 Cb 0.00 -0.22 0.58 0.00 1.12 0.00 0.00 29.99 31.48 1xwf n HIS 142 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1xwf n PRO 143 N -0.28 -0.02 -0.13 -0.41 -0.02 -1.22 -1.21 135.00 131.72 1xwf n PRO 143 Ca 0.14 0.96 -0.10 0.00 -2.02 0.00 0.00 63.50 62.48 1xwf n PRO 143 Cb 0.94 -1.99 -0.07 0.00 -0.02 0.00 0.00 33.50 32.36 1xwf n PRO 143 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1xwf h GLN 144 N 0.00 -0.24 -0.36 -0.52 7.50 -1.91 -2.52 115.11 117.05 1xwf h GLN 144 Ca 0.72 0.02 0.11 0.00 0.50 0.00 0.00 58.65 60.00 1xwf h GLN 144 Cb 2.55 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 30.12 1xwf h GLN 144 CO -0.24 -0.16 0.35 -0.07 -1.50 0.00 0.00 178.83 177.20 1xwf h LEU 145 N -0.25 0.00 -0.63 1.46 3.38 -1.57 -3.30 115.31 114.40 1xwf h LEU 145 Ca 0.06 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1xwf h LEU 145 Cb 0.41 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 1xwf h LEU 145 CO -0.46 0.00 -0.45 -0.07 0.09 0.00 0.00 178.44 177.55 1xwf h LEU 146 N 0.00 -1.60 -1.56 1.67 -0.00 -1.59 1.15 115.31 113.38 1xwf h LEU 146 Ca 0.17 0.23 0.00 0.00 -0.00 0.00 0.00 57.88 58.29 1xwf h LEU 146 Cb 0.86 0.70 0.00 0.00 -0.00 0.00 0.00 40.66 42.22 1xwf h LEU 146 CO -0.00 -0.22 0.44 0.28 -0.00 0.00 0.00 178.44 178.94 1xwf h SER 147 N -0.09 0.00 1.01 -0.43 0.02 -1.77 0.89 113.55 113.18 1xwf h SER 147 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1xwf h SER 147 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1xwf h SER 147 CO -0.64 0.00 -0.83 1.23 -1.14 0.00 0.00 176.83 175.45 1xwf h GLY 148 N 0.00 0.00 -5.11 -3.77 0.00 0.11 -3.46 103.07 90.84 1xwf h GLY 148 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1xwf h GLY 148 CO 0.00 0.00 -0.02 -0.42 0.00 0.00 0.00 176.54 176.10 1xwf s ILE 149 N -3.29 5.03 -0.10 2.60 1.01 0.31 -4.43 121.20 122.32 1xwf s ILE 149 Ca 0.02 1.22 -0.10 0.00 0.00 0.00 0.00 60.65 61.79 1xwf s ILE 149 Cb 0.10 -3.93 -0.27 0.00 0.01 0.00 0.00 42.46 38.37 1xwf s ILE 149 CO 0.76 0.34 0.46 -0.09 0.00 0.00 0.00 174.94 176.41 1xwf h ARG 150 N 6.28 0.28 -3.76 2.79 2.43 -0.45 -3.47 114.38 118.49 1xwf h ARG 150 Ca -0.43 -0.49 -0.08 0.00 -0.81 0.00 0.00 59.98 58.17 1xwf h ARG 150 Cb 1.19 0.18 -0.11 0.00 -0.42 0.00 0.00 29.97 30.81 1xwf h ARG 150 CO 0.73 1.23 -0.22 0.20 -1.51 0.00 0.00 179.97 180.40 1xwf s GLY 151 N -5.35 0.45 -0.03 2.80 0.00 -1.24 -4.28 107.32 99.67 1xwf s GLY 151 Ca -0.21 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1xwf s GLY 151 CO 0.78 -0.71 0.00 -0.42 0.00 0.00 0.00 173.10 172.76 1xwf s ILE 152 N -3.98 0.14 -0.28 0.90 1.01 -0.81 -1.15 121.20 117.03 1xwf s ILE 152 Ca 0.19 0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.96 1xwf s ILE 152 Cb 0.02 -0.24 0.07 0.00 0.01 0.00 0.00 42.46 42.32 1xwf s ILE 152 CO 0.03 0.13 -0.05 -0.94 0.00 0.00 0.00 174.94 174.11 1xwf s SER 153 N 0.99 4.42 0.15 3.58 1.04 -0.78 -0.54 113.70 122.56 1xwf s SER 153 Ca -0.10 -1.56 -0.00 0.00 0.48 0.00 0.00 55.95 54.77 1xwf s SER 153 Cb -0.13 -1.49 -0.04 0.00 0.10 0.00 0.00 66.02 64.46 1xwf s SER 153 CO -0.02 -0.25 0.33 -0.70 0.98 0.00 0.00 173.24 173.58 1xwf s GLU 154 N 1.12 3.50 0.00 4.02 -6.30 -1.18 -2.24 118.70 117.62 1xwf s GLU 154 Ca -0.03 -0.38 0.00 0.00 -2.50 0.00 0.00 54.97 52.06 1xwf s GLU 154 Cb -0.19 -2.91 0.00 0.00 0.00 0.00 0.00 34.13 31.03 1xwf s GLU 154 CO -0.07 0.48 0.31 -1.91 0.02 0.00 0.00 175.26 174.10 1xwf n GLU 155 N -0.32 0.10 -5.24 4.30 2.13 -1.19 -1.81 120.64 118.60 1xwf n GLU 155 Ca -0.05 -0.36 -0.31 0.00 0.66 0.00 0.00 57.16 57.10 1xwf n GLU 155 Cb 0.53 -0.64 -0.16 0.00 0.27 0.00 0.00 31.44 31.44 1xwf n GLU 155 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1xwf s THR 156 N -0.10 2.16 0.20 6.31 -4.23 -1.26 -4.46 115.64 114.26 1xwf s THR 156 Ca 0.00 -1.05 -0.20 0.00 -1.18 0.00 0.00 61.69 59.26 1xwf s THR 156 Cb 0.00 -1.77 0.15 0.00 1.34 0.00 0.00 72.50 72.22 1xwf s THR 156 CO 0.00 0.58 1.57 0.74 -0.54 0.00 0.00 174.62 176.96 1xwf h THR 157 N 4.74 0.09 0.00 3.99 2.02 -1.97 1.00 112.91 122.78 1xwf h THR 157 Ca -0.38 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 1xwf h THR 157 Cb 1.15 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1xwf h THR 157 CO 0.47 0.00 -0.21 0.71 0.37 0.00 0.00 175.52 176.87 1xwf h THR 158 N -0.10 0.86 0.00 3.16 1.35 -1.96 -0.26 112.91 115.96 1xwf h THR 158 Ca 0.27 -0.79 -0.02 0.00 -0.55 0.00 0.00 66.41 65.33 1xwf h THR 158 Cb 0.57 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1xwf h THR 158 CO -0.81 0.20 -0.10 1.23 -0.25 0.00 0.00 175.52 175.79 1xwf h GLY 159 N 0.95 0.00 -0.10 5.82 0.00 -0.58 -3.14 103.07 106.02 1xwf h GLY 159 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1xwf h GLY 159 CO 0.03 0.00 -0.49 -2.08 0.00 0.00 0.00 176.54 174.00 1xwf h VAL 160 N -1.00 0.06 -0.65 4.60 2.07 0.93 -1.48 116.25 120.79 1xwf h VAL 160 Ca -0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.59 1xwf h VAL 160 Cb 0.73 0.06 -0.11 0.00 -1.52 0.00 0.00 31.29 30.45 1xwf h VAL 160 CO -0.01 0.00 -0.43 -0.74 0.02 0.00 0.00 177.57 176.41 1xwf h HIS 161 N -0.52 -1.27 -0.65 1.57 6.17 -1.20 0.45 115.15 119.71 1xwf h HIS 161 Ca 0.06 0.09 0.19 0.00 0.71 0.00 0.00 60.37 61.42 1xwf h HIS 161 Cb 0.65 0.65 -0.03 0.00 2.52 0.00 0.00 27.41 31.20 1xwf h HIS 161 CO -0.56 -0.41 0.49 -0.97 0.71 0.00 0.00 177.93 177.19 1xwf h ASN 162 N -0.18 0.00 0.36 3.26 -1.24 -1.34 0.77 115.58 117.21 1xwf h ASN 162 Ca 0.20 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.19 1xwf h ASN 162 Cb 0.56 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.61 1xwf h ASN 162 CO -0.74 0.00 -0.17 -0.07 -1.29 0.00 0.00 177.43 175.16 1xwf h LEU 163 N 0.00 -0.41 -1.17 0.34 3.38 0.88 -1.66 115.31 116.67 1xwf h LEU 163 Ca 0.31 -0.15 0.27 0.00 0.09 0.00 0.00 57.88 58.40 1xwf h LEU 163 Cb 1.29 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 42.03 1xwf h LEU 163 CO -0.00 0.02 0.63 1.88 0.09 0.00 0.00 178.44 181.06 1xwf h TYR 164 N -0.94 0.85 0.16 1.13 0.05 0.09 -0.49 116.97 117.82 1xwf h TYR 164 Ca -0.05 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1xwf h TYR 164 Cb 0.53 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.03 1xwf h TYR 164 CO 0.03 0.04 -0.08 -0.22 -1.05 0.00 0.00 178.16 176.88 1xwf h LYS 165 N 0.47 -0.20 -0.97 4.88 3.64 -0.91 0.33 116.57 123.81 1xwf h LYS 165 Ca 0.64 0.01 0.30 0.00 -1.27 0.00 0.00 60.65 60.33 1xwf h LYS 165 Cb 1.42 0.05 -0.17 0.00 -0.41 0.00 0.00 32.23 33.11 1xwf h LYS 165 CO -0.41 -0.14 0.20 0.52 -2.27 0.00 0.00 179.45 177.36 1xwf h MET 166 N -0.28 0.05 -0.15 1.90 2.86 -0.95 0.89 114.93 119.26 1xwf h MET 166 Ca -0.02 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1xwf h MET 166 Cb 0.16 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1xwf h MET 166 CO 0.04 0.03 0.04 1.98 1.06 0.00 0.00 176.91 180.05 1xwf h MET 167 N 0.05 0.24 -0.07 1.72 1.85 -1.07 1.77 114.93 119.42 1xwf h MET 167 Ca 0.66 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.69 1xwf h MET 167 Cb 1.47 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 33.47 1xwf h MET 167 CO -0.83 0.39 0.04 0.00 -0.40 0.00 0.00 176.91 176.11 1xwf h ALA 168 N 0.83 1.97 -0.61 0.39 0.00 0.46 -1.07 119.26 121.24 1xwf h ALA 168 Ca 0.05 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1xwf h ALA 168 Cb 0.26 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 1xwf h ALA 168 CO 0.00 0.03 0.16 0.09 0.00 0.00 0.00 179.25 179.53 1xwf n ASN 169 N -4.53 4.60 -2.93 0.00 3.02 0.19 -4.94 115.26 110.66 1xwf n ASN 169 Ca -0.02 -3.21 -0.19 0.00 -0.03 0.00 0.00 54.58 51.14 1xwf n ASN 169 Cb 0.09 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 1xwf n ASN 169 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwf n GLY 170 N -0.21 -0.50 0.13 7.41 0.00 -0.37 -4.84 105.19 106.81 1xwf n GLY 170 Ca 0.36 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 46.22 1xwf n GLY 170 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xwf n ILE 171 N -3.82 1.51 -1.68 -0.61 5.41 0.59 -4.92 119.36 115.84 1xwf n ILE 171 Ca -0.09 -0.51 -0.52 0.00 1.00 0.00 0.00 62.75 62.63 1xwf n ILE 171 Cb 0.58 -1.57 -0.06 0.00 -0.71 0.00 0.00 39.64 37.89 1xwf n ILE 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1xwf n LEU 172 N -3.57 2.70 -0.11 1.39 7.94 -0.82 -4.83 117.00 119.70 1xwf n LEU 172 Ca -0.48 1.05 0.08 0.00 -1.11 0.00 0.00 56.01 55.55 1xwf n LEU 172 Cb 0.96 -1.26 0.12 0.00 0.53 0.00 0.00 43.42 43.77 1xwf n LEU 172 CO 0.20 -0.39 0.57 0.29 -1.11 0.00 0.00 177.39 176.95 1xwf n LYS 173 N 5.12 1.71 -3.84 1.96 5.02 -1.26 -4.82 118.16 122.05 1xwf n LYS 173 Ca 0.23 -2.39 -0.12 0.00 -2.02 0.00 0.00 58.31 54.01 1xwf n LYS 173 Cb 0.21 -1.43 -0.12 0.00 -0.02 0.00 0.00 35.03 33.68 1xwf n LYS 173 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xwf s VAL 174 N -2.51 0.03 0.37 -0.18 1.01 -1.26 -4.80 120.40 113.05 1xwf s VAL 174 Ca 0.27 -0.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 1xwf s VAL 174 Cb 0.23 -0.29 -0.09 0.00 0.00 0.00 0.00 36.38 36.23 1xwf s VAL 174 CO 0.03 -0.15 1.07 -2.16 0.00 0.00 0.00 175.10 173.90 1xwf s PRO 175 N -0.47 4.26 0.15 2.72 0.04 -1.26 -4.15 135.00 136.29 1xwf s PRO 175 Ca -0.06 1.62 0.05 0.00 0.04 0.00 0.00 61.00 62.66 1xwf s PRO 175 Cb -0.04 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 1xwf s PRO 175 CO 0.01 -0.08 -0.12 0.00 0.04 0.00 0.00 177.00 176.85 1xwf s ALA 176 N -1.51 1.51 -0.25 8.56 0.00 0.29 -1.93 121.76 128.43 1xwf s ALA 176 Ca 0.55 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 51.08 1xwf s ALA 176 Cb -0.25 0.00 0.06 0.00 0.00 0.00 0.00 23.12 22.93 1xwf s ALA 176 CO 0.32 -0.03 -0.08 0.42 0.00 0.00 0.00 175.76 176.40 1xwf s ILE 177 N -2.95 1.89 -1.00 0.00 1.01 0.30 0.43 121.20 120.88 1xwf s ILE 177 Ca 0.15 -1.49 -0.24 0.00 0.00 0.00 0.00 60.65 59.07 1xwf s ILE 177 Cb 0.00 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 1xwf s ILE 177 CO 0.02 -0.09 1.83 0.21 0.00 0.00 0.00 174.94 176.91 1xwf s ASN 178 N 1.22 5.49 0.32 3.58 2.47 0.40 -3.11 114.94 125.31 1xwf s ASN 178 Ca -0.07 -1.10 0.03 0.00 0.42 0.00 0.00 52.86 52.14 1xwf s ASN 178 Cb -0.19 -2.57 0.55 0.00 -1.45 0.00 0.00 41.25 37.58 1xwf s ASN 178 CO -0.06 -2.46 1.86 0.58 -3.72 0.00 0.00 177.10 173.30 1xwf h VAL 179 N 6.89 1.20 -0.36 -5.21 2.07 -1.61 -3.13 116.25 116.09 1xwf h VAL 179 Ca 0.16 -0.79 0.11 0.00 0.82 0.00 0.00 66.70 66.99 1xwf h VAL 179 Cb 0.99 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1xwf h VAL 179 CO 1.27 0.28 0.39 -1.13 0.02 0.00 0.00 177.57 178.40 1xwf h ASN 180 N 0.58 0.00 -0.34 0.57 -1.24 -1.78 -2.23 115.58 111.15 1xwf h ASN 180 Ca 0.13 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 1xwf h ASN 180 Cb 0.32 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 1xwf h ASN 180 CO 0.01 0.00 0.04 0.47 -1.29 0.00 0.00 177.43 176.66 1xwf n ASP 181 N -3.76 3.60 -4.87 1.15 10.43 -1.18 -3.39 116.55 118.53 1xwf n ASP 181 Ca 0.06 -2.55 -0.31 0.00 2.57 0.00 0.00 54.79 54.56 1xwf n ASP 181 Cb 0.55 -0.61 -0.01 0.00 1.84 0.00 0.00 41.12 42.89 1xwf n ASP 181 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1xwf s SER 182 N -0.41 6.40 -0.03 -2.24 0.01 -0.84 -4.92 113.70 111.68 1xwf s SER 182 Ca 0.30 1.38 -0.22 0.00 1.31 0.00 0.00 55.95 58.72 1xwf s SER 182 Cb 0.23 -2.44 -0.16 0.00 0.21 0.00 0.00 66.02 63.87 1xwf s SER 182 CO 0.08 -0.69 1.00 0.58 0.41 0.00 0.00 173.24 174.63 1xwf h VAL 183 N 0.32 0.75 0.00 3.43 2.07 -1.91 -0.94 116.25 119.97 1xwf h VAL 183 Ca -0.46 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1xwf h VAL 183 Cb 1.19 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1xwf h VAL 183 CO 0.62 0.17 0.14 0.71 0.02 0.00 0.00 177.57 179.23 1xwf h THR 184 N -0.83 0.00 0.03 2.57 1.35 -1.94 -0.34 112.91 113.75 1xwf h THR 184 Ca -0.03 0.00 -0.38 0.00 -0.55 0.00 0.00 66.41 65.45 1xwf h THR 184 Cb 0.51 0.64 -0.05 0.00 -1.73 0.00 0.00 68.15 67.52 1xwf h THR 184 CO 0.05 0.00 -2.19 -3.20 -0.25 0.00 0.00 175.52 169.93 1xwf n ASN 185 N -2.61 1.99 0.47 5.36 2.85 -1.19 -3.92 115.26 118.22 1xwf n ASN 185 Ca -0.02 0.15 -0.18 0.00 -0.11 0.00 0.00 54.58 54.41 1xwf n ASN 185 Cb 0.18 -0.71 -0.09 0.00 1.24 0.00 0.00 39.78 40.41 1xwf n ASN 185 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1xwf h SER 186 N -0.37 -1.02 -0.62 1.20 0.87 -0.58 -0.96 113.55 112.07 1xwf h SER 186 Ca -0.54 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.15 1xwf h SER 186 Cb 1.78 0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 63.93 1xwf h SER 186 CO -0.14 -0.68 0.26 0.11 -0.53 0.00 0.00 176.83 175.84 1xwf h LYS 187 N -1.29 0.44 0.25 2.24 1.79 -1.30 0.14 116.57 118.83 1xwf h LYS 187 Ca -0.12 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 1xwf h LYS 187 Cb 0.92 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1xwf h LYS 187 CO 0.20 0.29 -0.12 0.74 -1.08 0.00 0.00 179.45 179.48 1xwf h PHE 188 N 0.45 -0.31 -0.28 -1.35 -1.00 -1.68 0.54 116.94 113.31 1xwf h PHE 188 Ca 0.31 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.13 1xwf h PHE 188 Cb 0.36 0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 1xwf h PHE 188 CO -0.15 -0.03 0.19 0.22 -1.61 0.00 0.00 178.31 176.93 1xwf h ASP 189 N -1.01 0.17 0.00 2.17 -0.00 -1.19 0.65 116.42 117.20 1xwf h ASP 189 Ca -0.03 -0.00 -0.28 0.00 -0.00 0.00 0.00 57.03 56.72 1xwf h ASP 189 Cb 0.42 -0.04 -0.04 0.00 -0.00 0.00 0.00 39.33 39.67 1xwf h ASP 189 CO 0.06 0.11 -1.86 0.59 -0.00 0.00 0.00 179.24 178.14 1xwf n ASN 190 N -4.49 1.94 -0.02 2.28 5.03 0.03 -4.47 115.26 115.57 1xwf n ASN 190 Ca 0.03 0.36 -0.00 0.00 0.87 0.00 0.00 54.58 55.83 1xwf n ASN 190 Cb 0.22 -0.81 -0.00 0.00 -1.02 0.00 0.00 39.78 38.17 1xwf n ASN 190 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1xwf h LEU 191 N -1.00 0.00 -1.41 3.41 6.46 -0.10 -3.24 115.31 119.43 1xwf h LEU 191 Ca -0.42 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.30 1xwf h LEU 191 Cb 1.34 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.26 1xwf h LEU 191 CO -0.25 0.16 -0.06 1.88 -0.62 0.00 0.00 178.44 179.54 1xwf h TYR 192 N -0.27 0.32 0.65 1.25 0.05 -1.14 -1.87 116.97 115.96 1xwf h TYR 192 Ca 0.00 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 1xwf h TYR 192 Cb 0.05 -0.09 0.01 0.00 1.01 0.00 0.00 36.73 37.70 1xwf h TYR 192 CO -0.02 0.38 -0.31 0.78 -1.05 0.00 0.00 178.16 177.94 1xwf h GLY 193 N 0.71 -0.91 2.00 3.88 0.00 0.11 -2.48 103.07 106.37 1xwf h GLY 193 Ca 0.07 0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.66 1xwf h GLY 193 CO 0.01 -0.33 -0.33 0.00 0.00 0.00 0.00 176.54 175.89 1xwf h ARG 195 N 0.00 0.96 0.00 0.00 2.43 -1.27 -0.55 114.38 115.95 1xwf h ARG 195 Ca -0.00 -0.27 -0.14 0.00 -0.81 0.00 0.00 59.98 58.75 1xwf h ARG 195 Cb 0.68 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1xwf h ARG 195 CO 0.04 0.93 -0.68 0.93 -1.51 0.00 0.00 179.97 179.68 1xwf h GLU 196 N 0.89 0.00 -0.09 0.20 4.39 -1.24 -3.36 114.58 115.36 1xwf h GLU 196 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1xwf h GLU 196 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1xwf h GLU 196 CO 0.02 0.68 0.00 -1.13 -1.16 0.00 0.00 179.01 177.43 1xwf n SER 197 N -3.43 2.44 0.04 1.42 3.41 -1.10 -4.55 113.62 111.85 1xwf n SER 197 Ca 0.00 -2.35 -0.06 0.00 -0.26 0.00 0.00 58.87 56.20 1xwf n SER 197 Cb 0.75 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.46 1xwf n SER 197 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1xwf h LEU 198 N 0.56 -0.18 -1.60 1.04 5.85 -1.25 -3.09 115.31 116.63 1xwf h LEU 198 Ca 0.00 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1xwf h LEU 198 Cb 0.75 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1xwf h LEU 198 CO 0.02 0.35 0.29 0.40 -0.34 0.00 0.00 178.44 179.16 1xwf h ILE 199 N -1.02 1.09 -0.40 4.05 5.03 -1.84 -1.86 117.51 122.56 1xwf h ILE 199 Ca -0.02 -0.19 0.01 0.00 -0.12 0.00 0.00 64.86 64.54 1xwf h ILE 199 Cb 0.33 0.49 -0.02 0.00 -3.03 0.00 0.00 36.82 34.59 1xwf h ILE 199 CO 0.04 0.10 0.26 -0.78 -0.68 0.00 0.00 178.15 177.09 1xwf h ASP 200 N 0.55 0.45 -0.45 1.72 3.58 -1.80 0.81 116.42 121.28 1xwf h ASP 200 Ca 0.16 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.61 1xwf h ASP 200 Cb -0.01 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 1xwf h ASP 200 CO -0.04 0.33 0.28 1.23 -2.88 0.00 0.00 179.24 178.16 1xwf h GLY 201 N 0.54 0.63 1.44 -0.78 0.00 -1.27 -1.22 103.07 102.41 1xwf h GLY 201 Ca 0.15 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1xwf h GLY 201 CO -0.04 0.20 -0.11 -2.22 0.00 0.00 0.00 176.54 174.38 1xwf h ILE 202 N 0.58 1.25 0.69 2.60 2.04 -0.76 -1.84 117.51 122.06 1xwf h ILE 202 Ca 0.17 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1xwf h ILE 202 Cb -0.03 1.08 0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1xwf h ILE 202 CO -0.06 0.37 -0.33 0.11 0.00 0.00 0.00 178.15 178.25 1xwf h LYS 203 N 0.61 -0.89 -0.62 2.37 1.79 0.11 0.81 116.57 120.75 1xwf h LYS 203 Ca 0.11 0.06 0.12 0.00 -2.18 0.00 0.00 60.65 58.75 1xwf h LYS 203 Cb 0.55 0.20 -0.09 0.00 -1.58 0.00 0.00 32.23 31.31 1xwf h LYS 203 CO 0.03 -0.59 0.16 0.00 -1.08 0.00 0.00 179.45 177.97 1xwf h ARG 204 N -1.18 0.28 0.26 3.15 3.08 -1.30 3.18 114.38 121.85 1xwf h ARG 204 Ca -0.09 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1xwf h ARG 204 Cb 0.71 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1xwf h ARG 204 CO 0.15 0.19 -0.12 0.00 -1.07 0.00 0.00 179.97 179.12 1xwf h ALA 205 N 1.49 -1.03 0.00 0.04 0.00 -1.30 -3.37 119.26 115.09 1xwf h ALA 205 Ca 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1xwf h ALA 205 Cb 0.49 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1xwf h ALA 205 CO -0.40 -1.00 -1.72 0.25 0.00 0.00 0.00 179.25 176.37 1xwf n THR 206 N -2.97 0.23 -1.66 0.00 -2.24 0.27 -4.95 114.28 102.96 1xwf n THR 206 Ca -0.04 -0.53 -0.19 0.00 -2.27 0.00 0.00 64.05 61.02 1xwf n THR 206 Cb 0.14 -0.12 -0.07 0.00 -2.10 0.00 0.00 70.33 68.17 1xwf n THR 206 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xwf n ASP 207 N -2.40 -5.13 -4.82 3.42 8.00 1.06 -4.93 116.55 111.75 1xwf n ASP 207 Ca -0.04 0.43 -0.31 0.00 0.71 0.00 0.00 54.79 55.58 1xwf n ASP 207 Cb 0.58 -4.54 0.05 0.00 -0.02 0.00 0.00 41.12 37.20 1xwf n ASP 207 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xwf s VAL 208 N -2.67 3.93 -0.15 2.53 0.11 -1.26 -5.02 120.40 117.87 1xwf s VAL 208 Ca 0.00 0.63 -0.21 0.00 -2.93 0.00 0.00 61.98 59.47 1xwf s VAL 208 Cb 0.00 -3.38 -0.03 0.00 -1.53 0.00 0.00 36.38 31.44 1xwf s VAL 208 CO 0.00 -0.82 0.62 -0.32 -3.33 0.00 0.00 175.10 171.25 1xwf s MET 209 N -5.07 4.30 0.04 1.54 1.75 -1.26 -4.86 119.30 115.75 1xwf s MET 209 Ca 0.58 0.65 -0.16 0.00 -1.25 0.00 0.00 55.69 55.52 1xwf s MET 209 Cb -0.14 -3.52 -0.31 0.00 2.84 0.00 0.00 34.83 33.70 1xwf s MET 209 CO 0.55 -0.08 1.06 0.82 -0.65 0.00 0.00 175.02 176.72 1xwf h ILE 210 N 4.98 1.29 -4.19 10.11 1.08 -1.95 -3.44 117.51 125.39 1xwf h ILE 210 Ca -0.36 -2.53 -0.53 0.00 -0.39 0.00 0.00 64.86 61.05 1xwf h ILE 210 Cb 1.16 2.82 0.16 0.00 -3.07 0.00 0.00 36.82 37.89 1xwf h ILE 210 CO 0.77 0.76 0.38 0.00 -0.69 0.00 0.00 178.15 179.37 1xwf s ALA 211 N -2.85 2.10 0.00 1.87 0.00 -1.26 -2.70 121.76 118.93 1xwf s ALA 211 Ca -0.10 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1xwf s ALA 211 Cb 0.05 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1xwf s ALA 211 CO 0.93 -1.90 0.00 0.41 0.00 0.00 0.00 175.76 175.21 1xwf n GLY 212 N 0.31 1.94 3.89 0.00 0.00 -1.05 -4.84 105.19 105.44 1xwf n GLY 212 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1xwf n GLY 212 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwf s LYS 213 N 0.00 3.67 -0.36 1.61 1.02 -1.10 -4.85 119.74 119.73 1xwf s LYS 213 Ca 0.00 0.02 -0.17 0.00 0.02 0.00 0.00 55.97 55.84 1xwf s LYS 213 Cb 0.00 -2.73 -0.00 0.00 -0.52 0.00 0.00 37.83 34.57 1xwf s LYS 213 CO 0.00 0.35 0.48 0.08 -0.92 0.00 0.00 175.35 175.34 1xwf s VAL 214 N -1.83 5.05 -0.19 3.17 1.01 -1.26 -0.31 120.40 126.04 1xwf s VAL 214 Ca 0.43 0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.58 1xwf s VAL 214 Cb -0.11 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1xwf s VAL 214 CO 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 175.10 175.14 1xwf s ALA 215 N 2.30 3.10 -0.22 5.51 0.00 -0.18 0.39 121.76 132.66 1xwf s ALA 215 Ca 0.17 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 51.10 1xwf s ALA 215 Cb -0.16 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.17 1xwf s ALA 215 CO 0.13 0.01 0.24 0.08 0.00 0.00 0.00 175.76 176.22 1xwf s VAL 216 N 0.72 5.31 -0.22 0.00 1.01 0.04 -1.21 120.40 126.05 1xwf s VAL 216 Ca 0.00 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.38 1xwf s VAL 216 Cb -0.14 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.70 1xwf s VAL 216 CO 0.02 0.33 -0.13 -0.69 0.00 0.00 0.00 175.10 174.63 1xwf s VAL 217 N 1.00 1.95 -0.44 2.92 1.01 0.13 -0.94 120.40 126.03 1xwf s VAL 217 Ca 0.12 -1.24 -0.23 0.00 0.00 0.00 0.00 61.98 60.63 1xwf s VAL 217 Cb -0.14 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1xwf s VAL 217 CO 0.05 0.18 0.79 0.00 0.00 0.00 0.00 175.10 176.12 1xwf s ALA 218 N 1.25 3.30 0.00 5.51 0.00 -0.68 -2.27 121.76 128.87 1xwf s ALA 218 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1xwf s ALA 218 Cb -0.17 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1xwf s ALA 218 CO -0.08 -1.89 0.00 0.41 0.00 0.00 0.00 175.76 174.20 1xwf n GLY 219 N 4.94 2.44 1.45 0.00 0.00 0.86 -1.19 105.19 113.70 1xwf n GLY 219 Ca 0.03 -1.28 -0.07 0.00 0.00 0.00 0.00 46.02 44.70 1xwf n GLY 219 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xwf n TYR 220 N 1.81 1.66 0.00 1.61 9.36 -1.26 -4.17 117.16 126.17 1xwf n TYR 220 Ca 0.00 -1.53 0.00 0.00 3.32 0.00 0.00 57.90 59.69 1xwf n TYR 220 Cb 0.00 -0.59 0.00 0.00 -0.63 0.00 0.00 39.34 38.12 1xwf n TYR 220 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xwf n GLY 221 N -0.96 -2.38 0.27 2.98 0.00 -1.26 -4.25 105.19 99.59 1xwf n GLY 221 Ca 0.39 -1.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 1xwf n GLY 221 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xwf h ASP 222 N 0.00 -0.52 -0.40 1.61 3.32 -1.94 -0.21 116.42 118.29 1xwf h ASP 222 Ca 0.00 -0.09 0.08 0.00 0.02 0.00 0.00 57.03 57.05 1xwf h ASP 222 Cb 0.00 0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.61 1xwf h ASP 222 CO 0.00 -0.13 -0.12 0.58 -1.72 0.00 0.00 179.24 177.85 1xwf h VAL 223 N -1.00 0.55 -0.88 -1.35 2.07 -1.89 0.23 116.25 113.99 1xwf h VAL 223 Ca -0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.52 1xwf h VAL 223 Cb 0.58 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 1xwf h VAL 223 CO 0.10 0.00 0.57 1.23 0.02 0.00 0.00 177.57 179.50 1xwf h GLY 224 N -0.04 1.27 0.96 2.17 0.00 -1.71 -1.01 103.07 104.71 1xwf h GLY 224 Ca 0.19 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1xwf h GLY 224 CO -0.43 0.30 0.00 0.50 0.00 0.00 0.00 176.54 176.91 1xwf h LYS 225 N 1.00 0.01 -0.53 4.80 1.57 0.13 -0.20 116.57 123.35 1xwf h LYS 225 Ca 0.38 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.11 1xwf h LYS 225 Cb 0.19 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1xwf h LYS 225 CO -0.14 0.05 0.15 0.78 -0.57 0.00 0.00 179.45 179.72 1xwf h GLY 226 N -0.03 0.86 1.25 3.86 0.00 -0.37 -1.41 103.07 107.22 1xwf h GLY 226 Ca 0.00 -0.48 -0.17 0.00 0.00 0.00 0.00 47.33 46.69 1xwf h GLY 226 CO -0.00 0.45 -0.48 0.00 0.00 0.00 0.00 176.54 176.50 1xwf h ALA 228 N 0.82 1.33 0.09 0.00 0.00 -0.54 -0.52 119.26 120.44 1xwf h ALA 228 Ca 0.03 -0.33 -0.26 0.00 0.00 0.00 0.00 54.91 54.35 1xwf h ALA 228 Cb 1.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1xwf h ALA 228 CO 0.11 0.48 -1.20 0.37 0.00 0.00 0.00 179.25 179.00 1xwf h GLN 229 N 0.11 0.19 0.08 0.00 4.15 -1.14 -2.69 115.11 115.81 1xwf h GLN 229 Ca 0.01 -0.33 -0.00 0.00 0.77 0.00 0.00 58.65 59.10 1xwf h GLN 229 Cb 0.64 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1xwf h GLN 229 CO 0.05 1.14 -0.04 0.00 -1.93 0.00 0.00 178.83 178.05 1xwf h ALA 230 N 0.70 -0.11 -0.63 3.38 0.00 -0.59 -2.03 119.26 119.97 1xwf h ALA 230 Ca -0.11 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1xwf h ALA 230 Cb 1.92 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.73 1xwf h ALA 230 CO 0.18 -0.39 0.19 -0.07 0.00 0.00 0.00 179.25 179.16 1xwf h LEU 231 N -0.45 0.90 -0.56 0.00 3.38 -1.21 -2.84 115.31 114.53 1xwf h LEU 231 Ca -0.01 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 1xwf h LEU 231 Cb 0.38 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1xwf h LEU 231 CO 0.02 0.84 -0.48 -0.09 0.09 0.00 0.00 178.44 178.82 1xwf h ARG 232 N 0.93 0.61 -0.05 1.13 2.43 -1.47 -2.52 114.38 115.43 1xwf h ARG 232 Ca 0.21 -0.35 0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1xwf h ARG 232 Cb 0.27 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1xwf h ARG 232 CO -0.01 0.95 0.07 0.78 -1.51 0.00 0.00 179.97 180.25 1xwf h GLY 233 N 1.02 0.00 1.91 2.80 0.00 -1.12 -0.75 103.07 106.92 1xwf h GLY 233 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 1xwf h GLY 233 CO 0.09 0.00 -0.43 0.74 0.00 0.00 0.00 176.54 176.94 1xwf h PHE 234 N 0.00 0.00 0.00 5.60 0.04 -1.40 -3.48 116.94 117.71 1xwf h PHE 234 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1xwf h PHE 234 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1xwf h PHE 234 CO 0.00 0.35 0.00 0.41 -0.60 0.00 0.00 178.31 178.47 1xwf n GLY 235 N 1.20 1.15 3.89 -1.45 0.00 -0.29 -3.98 105.19 105.71 1xwf n GLY 235 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1xwf n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwf s ALA 236 N -2.00 3.06 -0.41 4.61 0.00 -1.09 -2.52 121.76 123.42 1xwf s ALA 236 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 51.96 51.50 1xwf s ALA 236 Cb 0.00 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.20 1xwf s ALA 236 CO 0.00 -0.89 0.28 0.50 0.00 0.00 0.00 175.76 175.65 1xwf s ARG 237 N -5.20 2.91 0.01 0.00 3.52 0.57 -4.55 118.95 116.22 1xwf s ARG 237 Ca 0.56 -1.09 -0.18 0.00 -0.13 0.00 0.00 55.73 54.89 1xwf s ARG 237 Cb -0.11 -3.92 -0.06 0.00 -1.56 0.00 0.00 34.95 29.30 1xwf s ARG 237 CO 0.51 -0.77 0.52 0.08 -0.81 0.00 0.00 175.30 174.82 1xwf s VAL 238 N 1.63 4.91 -0.04 7.11 1.01 -1.26 -1.01 120.40 132.75 1xwf s VAL 238 Ca 0.04 1.08 0.06 0.00 0.00 0.00 0.00 61.98 63.16 1xwf s VAL 238 Cb -0.20 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1xwf s VAL 238 CO 0.08 0.51 -0.23 -0.63 0.00 0.00 0.00 175.10 174.84 1xwf s ILE 239 N -0.71 1.84 0.02 2.22 1.01 -0.35 -3.75 121.20 121.48 1xwf s ILE 239 Ca 0.27 -0.96 0.07 0.00 0.00 0.00 0.00 60.65 60.04 1xwf s ILE 239 Cb -0.18 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1xwf s ILE 239 CO 0.16 0.52 -0.20 -0.63 0.00 0.00 0.00 174.94 174.78 1xwf s ILE 240 N -0.21 2.60 -0.05 2.92 1.01 0.19 -0.69 121.20 126.97 1xwf s ILE 240 Ca -0.01 -1.16 0.05 0.00 0.00 0.00 0.00 60.65 59.54 1xwf s ILE 240 Cb -0.12 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 1xwf s ILE 240 CO 0.02 0.41 -0.21 0.42 0.00 0.00 0.00 174.94 175.58 1xwf s THR 241 N -0.84 2.49 0.08 2.92 -4.23 -0.96 -0.47 115.64 114.63 1xwf s THR 241 Ca 0.13 -0.92 -0.14 0.00 -1.18 0.00 0.00 61.69 59.58 1xwf s THR 241 Cb -0.10 -1.93 0.02 0.00 1.34 0.00 0.00 72.50 71.82 1xwf s THR 241 CO 0.03 0.58 0.32 -1.61 -0.54 0.00 0.00 174.62 173.40 1xwf s GLU 242 N -0.44 0.91 -0.02 3.99 0.41 -1.26 -0.10 118.70 122.20 1xwf s GLU 242 Ca 0.05 -0.66 0.07 0.00 -0.41 0.00 0.00 54.97 54.02 1xwf s GLU 242 Cb -0.12 0.39 -0.11 0.00 -1.78 0.00 0.00 34.13 32.51 1xwf s GLU 242 CO 0.01 -0.32 0.15 0.44 -0.49 0.00 0.00 175.26 175.05 1xwf n ILE 243 N 0.16 0.05 -3.08 -1.63 -5.35 -1.26 -4.93 119.36 103.32 1xwf n ILE 243 Ca -0.17 -0.18 -0.41 0.00 -0.27 0.00 0.00 62.75 61.72 1xwf n ILE 243 Cb 0.62 0.22 -0.06 0.00 -1.74 0.00 0.00 39.64 38.67 1xwf n ILE 243 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1xwf s ASP 244 N -2.94 6.52 0.60 7.28 3.68 -1.26 -4.96 116.67 125.59 1xwf s ASP 244 Ca -0.03 0.43 0.34 0.00 2.13 0.00 0.00 52.55 55.42 1xwf s ASP 244 Cb 0.04 -2.34 1.89 0.00 -1.45 0.00 0.00 42.92 41.06 1xwf s ASP 244 CO 0.30 -0.52 2.24 1.55 0.13 0.00 0.00 175.17 178.86 1xwf h PRO 245 N 8.22 0.00 0.02 4.34 0.13 -1.99 -1.67 132.00 141.05 1xwf h PRO 245 Ca -0.26 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.63 1xwf h PRO 245 Cb 1.11 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.26 1xwf h PRO 245 CO 0.82 0.03 -0.95 0.82 -0.23 0.00 0.00 178.00 178.49 1xwf h ILE 246 N 0.00 1.32 -0.44 -3.56 2.04 -1.99 -2.45 117.51 112.43 1xwf h ILE 246 Ca -0.00 -2.24 -0.09 0.00 1.00 0.00 0.00 64.86 63.54 1xwf h ILE 246 Cb 0.10 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1xwf h ILE 246 CO 0.00 0.68 -0.06 0.78 0.00 0.00 0.00 178.15 179.55 1xwf h ASN 247 N 0.23 0.81 -0.57 1.72 2.35 -1.86 -0.44 115.58 117.82 1xwf h ASN 247 Ca -0.13 -0.34 0.02 0.00 -0.55 0.00 0.00 56.30 55.30 1xwf h ASN 247 Cb 1.63 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.75 1xwf h ASN 247 CO 0.19 0.96 0.38 0.00 -1.65 0.00 0.00 177.43 177.31 1xwf h ALA 248 N 0.88 1.63 -0.07 -0.83 0.00 -1.36 0.11 119.26 119.62 1xwf h ALA 248 Ca 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1xwf h ALA 248 Cb 0.58 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xwf h ALA 248 CO 0.03 0.32 -0.09 1.25 0.00 0.00 0.00 179.25 180.77 1xwf h LEU 249 N 0.74 0.20 -0.55 0.00 5.85 -1.15 -2.15 115.31 118.25 1xwf h LEU 249 Ca 0.22 -0.51 0.07 0.00 0.84 0.00 0.00 57.88 58.50 1xwf h LEU 249 Cb -0.02 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 40.86 1xwf h LEU 249 CO -0.05 0.67 -0.50 1.56 -0.34 0.00 0.00 178.44 179.78 1xwf h GLN 250 N -0.27 -0.27 -0.18 1.25 4.20 0.05 -0.59 115.11 119.31 1xwf h GLN 250 Ca 0.01 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.79 1xwf h GLN 250 Cb 0.63 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.40 1xwf h GLN 250 CO 0.02 -0.18 -0.22 0.00 -0.67 0.00 0.00 178.83 177.78 1xwf h ALA 251 N 0.35 -0.15 -0.26 3.87 0.00 -0.80 -1.61 119.26 120.66 1xwf h ALA 251 Ca 0.14 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1xwf h ALA 251 Cb 0.56 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1xwf h ALA 251 CO -0.67 -0.67 0.25 0.00 0.00 0.00 0.00 179.25 178.16 1xwf h ALA 252 N 0.76 1.97 -0.00 0.00 0.00 -0.54 0.62 119.26 122.07 1xwf h ALA 252 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xwf h ALA 252 Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1xwf h ALA 252 CO -0.33 -0.39 -0.03 -1.33 0.00 0.00 0.00 179.25 177.16 1xwf n MET 253 N -3.92 0.92 -0.11 0.00 2.00 -0.35 -2.92 117.12 112.74 1xwf n MET 253 Ca 0.03 -0.22 0.05 0.00 0.00 0.00 0.00 57.70 57.57 1xwf n MET 253 Cb 0.40 -1.50 0.10 0.00 0.00 0.00 0.00 33.22 32.23 1xwf n MET 253 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1xwf n GLU 254 N -0.85 2.14 -0.10 0.03 -0.58 0.20 -4.98 120.64 116.50 1xwf n GLU 254 Ca 0.19 -1.71 0.00 0.00 -0.42 0.00 0.00 57.16 55.22 1xwf n GLU 254 Cb 0.22 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 1xwf n GLU 254 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xwf n GLY 255 N 0.42 0.75 3.81 0.62 0.00 -1.15 -5.06 105.19 104.58 1xwf n GLY 255 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1xwf n GLY 255 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xwf s TYR 256 N -2.37 2.83 -0.15 1.61 2.02 -1.16 -5.00 117.35 115.13 1xwf s TYR 256 Ca 0.00 1.06 -0.03 0.00 -0.37 0.00 0.00 57.07 57.73 1xwf s TYR 256 Cb 0.00 -3.19 -0.02 0.00 -0.40 0.00 0.00 41.96 38.35 1xwf s TYR 256 CO 0.00 -1.83 -0.07 -2.00 -1.57 0.00 0.00 175.55 170.09 1xwf s GLU 257 N -5.22 3.58 -0.14 -0.62 2.12 -1.25 -4.31 118.70 112.87 1xwf s GLU 257 Ca 0.61 -0.57 -0.03 0.00 0.36 0.00 0.00 54.97 55.34 1xwf s GLU 257 Cb -0.14 -2.83 -0.03 0.00 0.26 0.00 0.00 34.13 31.40 1xwf s GLU 257 CO 0.53 0.23 -0.04 0.08 -0.54 0.00 0.00 175.26 175.53 1xwf s VAL 258 N 0.36 3.93 0.28 3.70 1.01 -1.25 0.55 120.40 128.97 1xwf s VAL 258 Ca -0.06 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 1xwf s VAL 258 Cb -0.15 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.57 1xwf s VAL 258 CO 0.04 0.51 0.55 1.07 0.00 0.00 0.00 175.10 177.28 1xwf n THR 259 N 3.26 0.00 -3.14 3.92 5.66 0.38 -4.94 114.28 119.42 1xwf n THR 259 Ca -0.18 -0.71 -0.32 0.00 -3.05 0.00 0.00 64.05 59.80 1xwf n THR 259 Cb 0.53 0.70 -0.05 0.00 -1.55 0.00 0.00 70.33 69.95 1xwf n THR 259 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1xwf s THR 260 N -2.37 4.78 0.27 1.09 -4.23 -1.26 -3.88 115.64 110.03 1xwf s THR 260 Ca 0.11 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.34 1xwf s THR 260 Cb -0.03 -3.65 0.27 0.00 1.34 0.00 0.00 72.50 70.43 1xwf s THR 260 CO 0.09 -0.26 1.83 -0.03 -0.54 0.00 0.00 174.62 175.71 1xwf h MET 261 N 2.02 0.92 0.10 3.99 4.05 -1.94 0.95 114.93 125.02 1xwf h MET 261 Ca -0.47 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 58.90 1xwf h MET 261 Cb 1.18 -0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 31.73 1xwf h MET 261 CO 0.66 0.61 -0.45 -0.44 0.23 0.00 0.00 176.91 177.52 1xwf h ASP 262 N 0.95 -1.36 -0.49 1.39 5.19 -1.93 1.02 116.42 121.18 1xwf h ASP 262 Ca 0.48 0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 57.02 1xwf h ASP 262 Cb 0.47 0.50 -0.02 0.00 0.18 0.00 0.00 39.33 40.46 1xwf h ASP 262 CO -0.27 -0.47 0.25 -0.33 -3.12 0.00 0.00 179.24 175.29 1xwf h GLU 263 N -0.64 0.70 -0.54 3.56 4.39 -1.85 -3.22 114.58 116.98 1xwf h GLU 263 Ca -0.01 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1xwf h GLU 263 Cb 0.65 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 1xwf h GLU 263 CO -0.24 0.58 0.31 0.00 -1.16 0.00 0.00 179.01 178.49 1xwf h ALA 264 N 1.09 0.69 0.00 3.43 0.00 -0.35 -3.04 119.26 121.08 1xwf h ALA 264 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xwf h ALA 264 Cb 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xwf h ALA 264 CO -0.02 0.20 0.54 0.00 0.00 0.00 0.00 179.25 179.97 1xwf h LYS 266 N 0.00 0.35 0.13 0.00 1.57 -1.70 -3.25 116.57 113.68 1xwf h LYS 266 Ca 0.00 -0.60 -0.24 0.00 -1.87 0.00 0.00 60.65 57.93 1xwf h LYS 266 Cb 1.08 0.22 0.01 0.00 0.08 0.00 0.00 32.23 33.63 1xwf h LYS 266 CO 0.00 1.28 -1.17 0.93 -0.57 0.00 0.00 179.45 179.92 1xwf h GLU 267 N 0.10 0.28 -6.37 3.15 5.08 -0.11 -3.41 114.58 113.29 1xwf h GLU 267 Ca -0.19 -0.49 -0.60 0.00 -1.00 0.00 0.00 59.36 57.09 1xwf h GLU 267 Cb 2.04 0.18 0.15 0.00 0.50 0.00 0.00 28.75 31.63 1xwf h GLU 267 CO 0.22 1.23 -0.41 0.41 -1.00 0.00 0.00 179.01 179.46 1xwf n GLY 268 N 1.71 -1.53 0.01 -3.84 0.00 -0.79 -4.79 105.19 95.96 1xwf n GLY 268 Ca -0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 1xwf n GLY 268 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xwf n ASN 269 N 1.09 4.23 -4.14 1.61 3.02 0.16 -4.38 115.26 116.85 1xwf n ASN 269 Ca 0.11 -0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.45 1xwf n ASN 269 Cb 0.42 0.41 -0.14 0.00 -0.61 0.00 0.00 39.78 39.87 1xwf n ASN 269 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xwf s ILE 270 N -2.06 1.15 -0.17 2.41 1.01 -1.10 -1.36 121.20 121.08 1xwf s ILE 270 Ca -0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 1xwf s ILE 270 Cb 0.01 -1.02 0.05 0.00 0.01 0.00 0.00 42.46 41.51 1xwf s ILE 270 CO 0.10 0.09 0.01 -0.36 0.00 0.00 0.00 174.94 174.78 1xwf s PHE 271 N -0.72 1.11 -0.15 3.97 0.40 -0.02 -0.78 117.98 121.79 1xwf s PHE 271 Ca 0.03 -0.78 -0.02 0.00 -0.60 0.00 0.00 56.93 55.56 1xwf s PHE 271 Cb -0.07 -1.05 -0.01 0.00 0.51 0.00 0.00 43.02 42.39 1xwf s PHE 271 CO 0.01 -0.56 -0.10 0.08 0.70 0.00 0.00 175.22 175.35 1xwf s VAL 272 N 1.83 3.25 -0.23 -0.44 1.01 -0.12 -1.52 120.40 124.18 1xwf s VAL 272 Ca 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 1xwf s VAL 272 Cb -0.16 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1xwf s VAL 272 CO -0.07 0.50 0.09 0.42 0.00 0.00 0.00 175.10 176.03 1xwf s THR 273 N 0.61 4.65 -0.31 3.92 -4.23 -1.12 -1.68 115.64 117.46 1xwf s THR 273 Ca -0.06 -0.07 0.08 0.00 -1.18 0.00 0.00 61.69 60.47 1xwf s THR 273 Cb -0.15 -3.15 0.50 0.00 1.34 0.00 0.00 72.50 71.03 1xwf s THR 273 CO 0.03 0.36 1.46 0.35 -0.54 0.00 0.00 174.62 176.28 1xwf n THR 274 N 4.49 2.60 -4.19 3.99 -2.24 -0.33 -1.69 114.28 116.91 1xwf n THR 274 Ca -0.16 -2.93 -0.27 0.00 -2.27 0.00 0.00 64.05 58.42 1xwf n THR 274 Cb 0.52 -0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 1xwf n THR 274 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xwf s THR 275 N -3.45 1.87 -0.20 4.28 2.01 -1.25 -4.56 115.64 114.34 1xwf s THR 275 Ca 0.46 -1.70 0.16 0.00 0.31 0.00 0.00 61.69 60.92 1xwf s THR 275 Cb 0.41 -2.57 0.60 0.00 0.01 0.00 0.00 72.50 70.95 1xwf s THR 275 CO -0.00 0.00 1.50 0.61 -0.69 0.00 0.00 174.62 176.03 1xwf n GLY 276 N -1.40 3.80 3.99 4.40 0.00 -1.26 -3.85 105.19 110.87 1xwf n GLY 276 Ca -0.05 -1.01 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 1xwf n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwf s VAL 278 N -2.24 2.56 -1.21 0.00 -7.23 -1.26 -4.21 120.40 106.81 1xwf s VAL 278 Ca 0.48 -2.17 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1xwf s VAL 278 Cb -0.09 -2.60 -0.00 0.00 0.56 0.00 0.00 36.38 34.24 1xwf s VAL 278 CO 0.31 -0.28 0.93 0.47 -0.31 0.00 0.00 175.10 176.22 1xwf n ASP 279 N -0.79 -2.20 -0.03 4.85 8.00 -1.18 -4.93 116.55 120.26 1xwf n ASP 279 Ca -0.05 -0.67 -0.20 0.00 0.71 0.00 0.00 54.79 54.58 1xwf n ASP 279 Cb 0.62 -4.91 -0.13 0.00 -0.02 0.00 0.00 41.12 36.67 1xwf n ASP 279 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1xwf h ILE 280 N -1.84 1.20 -3.33 0.53 1.08 -1.63 -3.44 117.51 110.08 1xwf h ILE 280 Ca -0.60 -2.35 -0.67 0.00 -0.39 0.00 0.00 64.86 60.86 1xwf h ILE 280 Cb 1.34 2.78 -0.35 0.00 -3.07 0.00 0.00 36.82 37.51 1xwf h ILE 280 CO 0.51 0.59 -0.84 -0.63 -0.69 0.00 0.00 178.15 177.09 1xwf s ILE 281 N -2.39 2.13 0.50 -0.67 1.01 -1.03 -4.97 121.20 115.77 1xwf s ILE 281 Ca -0.21 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.29 1xwf s ILE 281 Cb 0.03 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 1xwf s ILE 281 CO 0.71 0.35 0.01 -0.76 0.00 0.00 0.00 174.94 175.25 1xwf s LEU 282 N 1.23 2.28 0.25 2.97 2.01 -1.26 -1.37 118.68 124.78 1xwf s LEU 282 Ca 0.00 -1.65 -0.08 0.00 0.01 0.00 0.00 54.13 52.41 1xwf s LEU 282 Cb -0.15 -0.69 0.42 0.00 0.01 0.00 0.00 46.19 45.77 1xwf s LEU 282 CO -0.10 -0.85 1.62 1.23 1.01 0.00 0.00 176.35 179.26 1xwf h GLY 283 N 1.38 0.79 1.88 -3.19 0.00 -1.97 0.13 103.07 102.09 1xwf h GLY 283 Ca -0.43 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1xwf h GLY 283 CO 0.73 -0.30 0.05 0.07 0.00 0.00 0.00 176.54 177.09 1xwf h ARG 284 N 0.07 0.00 0.00 4.80 0.11 -1.98 -1.27 114.38 116.11 1xwf h ARG 284 Ca 0.41 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.38 1xwf h ARG 284 Cb 0.71 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.77 1xwf h ARG 284 CO -0.70 0.00 -0.81 0.45 0.10 0.00 0.00 179.97 179.00 1xwf h HIS 285 N 0.00 0.00 -0.94 4.08 3.86 -1.15 -3.38 115.15 117.62 1xwf h HIS 285 Ca 0.00 0.00 0.25 0.00 -1.16 0.00 0.00 60.37 59.46 1xwf h HIS 285 Cb 0.10 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.44 1xwf h HIS 285 CO 0.00 0.78 0.46 0.74 0.86 0.00 0.00 177.93 180.77 1xwf h PHE 286 N -1.00 0.76 0.00 2.45 0.04 -0.69 0.88 116.94 119.38 1xwf h PHE 286 Ca -0.17 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1xwf h PHE 286 Cb 0.89 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.85 1xwf h PHE 286 CO -0.02 -0.06 0.00 0.39 -0.60 0.00 0.00 178.31 178.02 1xwf n GLU 287 N -5.02 0.73 -0.02 1.51 1.02 -0.55 -2.72 120.64 115.59 1xwf n GLU 287 Ca 0.25 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1xwf n GLU 287 Cb 0.74 -1.29 -0.04 0.00 -0.02 0.00 0.00 31.44 30.83 1xwf n GLU 287 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1xwf n GLN 288 N -0.79 1.96 -1.65 3.49 1.13 0.30 -5.05 117.38 116.76 1xwf n GLN 288 Ca 0.10 -0.02 -0.39 0.00 -1.94 0.00 0.00 57.00 54.75 1xwf n GLN 288 Cb 0.05 -1.12 0.04 0.00 0.11 0.00 0.00 30.24 29.31 1xwf n GLN 288 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1xwf n MET 289 N -1.97 1.25 -1.42 -1.09 2.81 -0.78 -4.58 117.12 111.34 1xwf n MET 289 Ca -0.05 0.46 -0.32 0.00 -1.81 0.00 0.00 57.70 55.98 1xwf n MET 289 Cb 0.44 -2.24 0.08 0.00 -0.71 0.00 0.00 33.22 30.79 1xwf n MET 289 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1xwf s LYS 290 N -2.58 2.37 0.25 0.03 1.02 -1.26 -4.94 119.74 114.64 1xwf s LYS 290 Ca 0.71 1.32 -0.31 0.00 0.02 0.00 0.00 55.97 57.71 1xwf s LYS 290 Cb -0.45 -1.90 -0.13 0.00 -0.52 0.00 0.00 37.83 34.82 1xwf s LYS 290 CO 0.51 -1.57 1.42 -3.47 -0.92 0.00 0.00 175.35 171.31 1xwf n ASP 291 N -3.09 2.88 -2.12 2.83 2.03 -1.26 -2.23 116.55 115.59 1xwf n ASP 291 Ca 0.10 1.15 -0.17 0.00 0.52 0.00 0.00 54.79 56.39 1xwf n ASP 291 Cb 0.52 -1.45 0.01 0.00 -0.72 0.00 0.00 41.12 39.49 1xwf n ASP 291 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1xwf n ASP 292 N 2.07 -4.94 -4.76 1.67 8.00 -0.42 -4.86 116.55 113.30 1xwf n ASP 292 Ca 0.11 -0.13 -0.37 0.00 0.71 0.00 0.00 54.79 55.11 1xwf n ASP 292 Cb 0.32 -3.91 0.02 0.00 -0.02 0.00 0.00 41.12 37.54 1xwf n ASP 292 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xwf s ALA 293 N -2.93 2.74 -0.32 2.24 0.00 -0.95 -4.66 121.76 117.89 1xwf s ALA 293 Ca 0.13 1.04 -0.07 0.00 0.00 0.00 0.00 51.96 53.06 1xwf s ALA 293 Cb -0.06 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1xwf s ALA 293 CO 0.16 -1.02 0.10 0.42 0.00 0.00 0.00 175.76 175.41 1xwf s ILE 294 N -1.53 3.92 -0.12 0.00 1.01 -0.47 -0.81 121.20 123.20 1xwf s ILE 294 Ca 0.72 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 1xwf s ILE 294 Cb -0.31 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1xwf s ILE 294 CO 0.36 -0.06 -0.02 -0.69 0.00 0.00 0.00 174.94 174.53 1xwf s VAL 295 N 1.46 4.11 0.10 2.92 1.01 0.15 -0.84 120.40 129.32 1xwf s VAL 295 Ca 0.01 -0.30 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 1xwf s VAL 295 Cb -0.18 -2.77 0.06 0.00 0.00 0.00 0.00 36.38 33.49 1xwf s VAL 295 CO 0.03 0.54 0.57 0.00 0.00 0.00 0.00 175.10 176.24 1xwf s ASN 297 N -2.39 1.63 0.00 0.00 2.47 -1.26 -2.81 114.94 112.57 1xwf s ASN 297 Ca -0.02 -0.26 0.03 0.00 0.42 0.00 0.00 52.86 53.04 1xwf s ASN 297 Cb -0.00 -0.47 0.08 0.00 -1.45 0.00 0.00 41.25 39.41 1xwf s ASN 297 CO -0.08 0.10 0.98 0.00 -3.72 0.00 0.00 177.10 174.38 1xwf n ILE 298 N 3.27 0.78 0.00 -5.21 3.06 -0.68 -1.78 119.36 118.79 1xwf n ILE 298 Ca -0.19 -0.89 0.00 0.00 -2.50 0.00 0.00 62.75 59.18 1xwf n ILE 298 Cb 0.53 0.63 0.00 0.00 0.54 0.00 0.00 39.64 41.34 1xwf n ILE 298 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1xwf n GLY 299 N -0.10 -2.05 0.00 4.50 0.00 -0.79 -4.90 105.19 101.85 1xwf n GLY 299 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1xwf n GLY 299 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xwf n HIS 300 N 0.00 0.00 -3.79 1.61 -0.00 -1.25 -4.95 115.22 106.85 1xwf n HIS 300 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 1xwf n HIS 300 Cb 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 29.80 1xwf n HIS 300 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 1xwf s PHE 301 N -0.09 0.02 -1.05 1.57 0.08 -1.26 -4.89 117.98 112.37 1xwf s PHE 301 Ca 0.00 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.67 1xwf s PHE 301 Cb 0.00 0.04 0.00 0.00 -0.57 0.00 0.00 43.02 42.49 1xwf s PHE 301 CO 0.00 -0.57 0.29 -0.40 -0.10 0.00 0.00 175.22 174.43 1xwf n ASP 302 N 0.01 0.52 -0.21 1.36 3.85 -1.26 -3.56 116.55 117.26 1xwf n ASP 302 Ca -0.16 -1.09 0.14 0.00 -0.71 0.00 0.00 54.79 52.97 1xwf n ASP 302 Cb 0.62 -0.26 0.53 0.00 -1.35 0.00 0.00 41.12 40.66 1xwf n ASP 302 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 1xwf n VAL 303 N 0.19 0.00 0.20 2.12 0.24 -1.26 -4.17 118.33 115.66 1xwf n VAL 303 Ca 0.00 -0.11 0.11 0.00 -2.04 0.00 0.00 64.34 62.30 1xwf n VAL 303 Cb 0.13 0.16 -0.02 0.00 -1.47 0.00 0.00 33.84 32.64 1xwf n VAL 303 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1xwf n GLU 304 N -0.68 0.53 -5.21 7.34 1.02 -1.23 -3.09 120.64 119.32 1xwf n GLU 304 Ca 0.15 0.03 -0.32 0.00 -0.02 0.00 0.00 57.16 57.00 1xwf n GLU 304 Cb 0.31 -1.71 -0.16 0.00 -0.02 0.00 0.00 31.44 29.86 1xwf n GLU 304 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xwf s ILE 305 N -3.35 2.25 -1.28 -3.67 1.01 -1.26 -1.76 121.20 113.14 1xwf s ILE 305 Ca -0.01 -1.01 -0.17 0.00 0.00 0.00 0.00 60.65 59.46 1xwf s ILE 305 Cb 0.12 -1.82 0.10 0.00 0.01 0.00 0.00 42.46 40.87 1xwf s ILE 305 CO 0.81 0.57 1.67 -0.67 0.00 0.00 0.00 174.94 177.33 1xwf n ASP 306 N 2.70 4.99 0.24 3.58 -0.08 -0.47 -4.70 116.55 122.82 1xwf n ASP 306 Ca -0.17 -2.94 -0.16 0.00 -1.51 0.00 0.00 54.79 50.02 1xwf n ASP 306 Cb 0.52 -1.69 -0.08 0.00 2.34 0.00 0.00 41.12 42.20 1xwf n ASP 306 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1xwf h VAL 307 N 5.24 0.58 -0.84 5.18 2.07 -1.88 -3.05 116.25 123.55 1xwf h VAL 307 Ca 0.42 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.92 1xwf h VAL 307 Cb 0.86 0.63 -0.11 0.00 -1.52 0.00 0.00 31.29 31.16 1xwf h VAL 307 CO 1.41 0.02 -0.46 0.29 0.02 0.00 0.00 177.57 178.86 1xwf n LYS 308 N -5.31 -0.33 -0.27 1.57 4.01 -1.26 0.77 118.16 117.34 1xwf n LYS 308 Ca -0.11 1.27 0.07 0.00 -0.51 0.00 0.00 58.31 59.04 1xwf n LYS 308 Cb 0.26 -1.88 0.20 0.00 -0.51 0.00 0.00 35.03 33.09 1xwf n LYS 308 CO 0.00 0.00 0.00 2.35 -1.11 0.00 0.00 177.40 178.64 1xwf h TRP 309 N 0.00 0.08 0.39 2.13 7.01 -1.93 0.11 115.95 123.75 1xwf h TRP 309 Ca 0.17 0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 1xwf h TRP 309 Cb 0.38 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.52 1xwf h TRP 309 CO -0.83 -0.22 -0.39 -0.07 -2.79 0.00 0.00 178.44 174.13 1xwf h LEU 310 N 0.14 -1.07 -1.87 0.65 3.38 0.38 0.56 115.31 117.49 1xwf h LEU 310 Ca 0.45 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1xwf h LEU 310 Cb 0.83 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1xwf h LEU 310 CO -0.66 -0.52 0.31 0.78 0.09 0.00 0.00 178.44 178.44 1xwf h ASN 311 N -0.78 0.00 0.00 -0.43 2.35 -0.52 -0.59 115.58 115.61 1xwf h ASN 311 Ca -0.05 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.59 1xwf h ASN 311 Cb 0.68 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 1xwf h ASN 311 CO -0.05 0.00 -1.04 -0.62 -1.65 0.00 0.00 177.43 174.07 1xwf n GLU 312 N -2.76 0.51 -0.40 0.81 1.02 0.29 -4.55 120.64 115.56 1xwf n GLU 312 Ca -0.02 0.44 0.05 0.00 -0.02 0.00 0.00 57.16 57.61 1xwf n GLU 312 Cb 0.35 -1.63 0.22 0.00 -0.02 0.00 0.00 31.44 30.36 1xwf n GLU 312 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xwf n ASN 313 N -4.50 3.15 -4.85 1.62 5.03 0.18 -4.90 115.26 111.00 1xwf n ASN 313 Ca -0.20 -2.31 -0.37 0.00 0.87 0.00 0.00 54.58 52.57 1xwf n ASN 313 Cb 0.49 -0.47 -0.06 0.00 -1.02 0.00 0.00 39.78 38.72 1xwf n ASN 313 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xwf s ALA 314 N -1.77 3.84 0.00 5.41 0.00 -0.24 -4.51 121.76 124.48 1xwf s ALA 314 Ca 0.31 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1xwf s ALA 314 Cb 0.20 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1xwf s ALA 314 CO 0.14 0.55 0.69 0.28 0.00 0.00 0.00 175.76 177.41 1xwf n VAL 315 N 2.23 0.00 -4.77 0.00 0.31 -0.40 -4.85 118.33 110.85 1xwf n VAL 315 Ca -0.19 1.16 -0.28 0.00 -0.01 0.00 0.00 64.34 65.01 1xwf n VAL 315 Cb 0.54 -2.10 -0.14 0.00 -0.91 0.00 0.00 33.84 31.23 1xwf n VAL 315 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1xwf s GLU 316 N -2.02 1.62 -0.27 5.55 -1.05 -1.25 -4.98 118.70 116.31 1xwf s GLU 316 Ca 0.00 -1.08 0.03 0.00 -0.15 0.00 0.00 54.97 53.77 1xwf s GLU 316 Cb 0.00 -1.81 0.06 0.00 -0.44 0.00 0.00 34.13 31.95 1xwf s GLU 316 CO 0.00 0.46 -0.09 0.21 0.95 0.00 0.00 175.26 176.79 1xwf s LYS 317 N -1.30 2.13 -0.13 -4.83 2.20 -1.26 -0.63 119.74 115.92 1xwf s LYS 317 Ca 0.10 -1.39 -0.05 0.00 -0.36 0.00 0.00 55.97 54.28 1xwf s LYS 317 Cb -0.10 -2.91 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 1xwf s LYS 317 CO 0.02 -0.61 0.06 0.14 -0.36 0.00 0.00 175.35 174.61 1xwf s VAL 318 N 1.09 4.84 -0.81 4.02 -7.23 -1.06 -4.94 120.40 116.32 1xwf s VAL 318 Ca -0.07 -0.03 -0.16 0.00 -1.81 0.00 0.00 61.98 59.90 1xwf s VAL 318 Cb -0.20 -3.11 0.17 0.00 0.56 0.00 0.00 36.38 33.80 1xwf s VAL 318 CO -0.05 0.57 0.86 0.21 -0.31 0.00 0.00 175.10 176.37 1xwf s ASN 319 N -0.54 6.61 0.25 4.85 3.84 -1.26 -0.39 114.94 128.29 1xwf s ASN 319 Ca 0.11 -2.26 -0.04 0.00 0.21 0.00 0.00 52.86 50.88 1xwf s ASN 319 Cb -0.12 -2.28 0.46 0.00 -0.55 0.00 0.00 41.25 38.76 1xwf s ASN 319 CO 0.02 -0.82 1.74 0.40 -2.79 0.00 0.00 177.10 175.66 1xwf h ILE 320 N 5.33 0.70 -2.18 -5.21 5.03 -1.77 -3.46 117.51 115.95 1xwf h ILE 320 Ca 0.04 -0.17 0.29 0.00 -0.12 0.00 0.00 64.86 64.90 1xwf h ILE 320 Cb 1.05 0.15 -0.06 0.00 -3.03 0.00 0.00 36.82 34.92 1xwf h ILE 320 CO 0.93 0.09 0.81 -1.59 -0.68 0.00 0.00 178.15 177.71 1xwf s LYS 321 N -6.01 0.64 -0.14 2.37 -2.85 -1.04 -5.04 119.74 107.66 1xwf s LYS 321 Ca -0.12 -0.41 -0.37 0.00 -1.00 0.00 0.00 55.97 54.06 1xwf s LYS 321 Cb 0.20 0.18 -0.14 0.00 -2.06 0.00 0.00 37.83 36.01 1xwf s LYS 321 CO 0.77 -0.30 1.74 -2.30 0.10 0.00 0.00 175.35 175.36 1xwf n PRO 322 N -0.81 1.59 -1.84 1.78 -0.02 -1.26 -1.21 135.00 133.22 1xwf n PRO 322 Ca 0.01 0.58 -0.14 0.00 -2.02 0.00 0.00 63.50 61.93 1xwf n PRO 322 Cb 0.59 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1xwf n PRO 322 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1xwf n GLN 323 N 5.40 -1.05 -3.42 -0.52 3.00 -1.26 -4.95 117.38 114.57 1xwf n GLN 323 Ca 0.24 0.84 -0.22 0.00 -0.01 0.00 0.00 57.00 57.84 1xwf n GLN 323 Cb 0.20 -5.03 -0.10 0.00 0.00 0.00 0.00 30.24 25.31 1xwf n GLN 323 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1xwf s VAL 324 N -2.61 -0.19 0.30 5.09 1.01 -0.35 -0.78 120.40 122.86 1xwf s VAL 324 Ca 0.00 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.05 1xwf s VAL 324 Cb 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1xwf s VAL 324 CO 0.00 -0.68 0.23 -1.81 0.00 0.00 0.00 175.10 172.84 1xwf s ASP 325 N 1.69 5.29 -0.31 3.32 1.11 -0.53 -2.15 116.67 125.09 1xwf s ASP 325 Ca 0.14 -0.43 -0.02 0.00 0.18 0.00 0.00 52.55 52.42 1xwf s ASP 325 Cb -0.17 -1.11 0.10 0.00 1.07 0.00 0.00 42.92 42.81 1xwf s ASP 325 CO -0.15 -0.21 0.12 -0.60 1.18 0.00 0.00 175.17 175.51 1xwf s ARG 326 N -3.91 0.49 0.40 8.23 3.52 0.48 -0.71 118.95 127.44 1xwf s ARG 326 Ca 0.37 -0.87 -0.23 0.00 -0.13 0.00 0.00 55.73 54.87 1xwf s ARG 326 Cb -0.06 -1.59 -0.10 0.00 -1.56 0.00 0.00 34.95 31.63 1xwf s ARG 326 CO 0.25 -1.02 0.97 0.71 -0.81 0.00 0.00 175.30 175.41 1xwf s TYR 327 N 1.77 3.39 -0.20 5.12 1.51 -0.58 -2.55 117.35 125.81 1xwf s TYR 327 Ca 0.10 1.66 -0.04 0.00 -1.01 0.00 0.00 57.07 57.79 1xwf s TYR 327 Cb -0.17 -2.94 -0.02 0.00 -0.11 0.00 0.00 41.96 38.73 1xwf s TYR 327 CO -0.29 -0.16 -0.04 -1.17 -1.11 0.00 0.00 175.55 172.79 1xwf s LEU 328 N -2.79 3.04 0.48 -1.29 2.96 0.19 -1.00 118.68 120.29 1xwf s LEU 328 Ca 0.58 -0.29 -0.06 0.00 -0.22 0.00 0.00 54.13 54.14 1xwf s LEU 328 Cb -0.15 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1xwf s LEU 328 CO 0.19 0.05 0.80 -0.76 -1.32 0.00 0.00 176.35 175.32 1xwf s LEU 329 N 1.05 3.62 0.00 -0.68 1.43 -0.27 -1.28 118.68 122.55 1xwf s LEU 329 Ca 0.01 0.99 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 1xwf s LEU 329 Cb -0.15 -3.95 0.21 0.00 0.03 0.00 0.00 46.19 42.33 1xwf s LEU 329 CO 0.00 -0.58 0.66 0.29 0.23 0.00 0.00 176.35 176.95 1xwf n LYS 330 N -2.19 0.46 -0.00 1.70 5.02 -1.26 -1.88 118.16 120.01 1xwf n LYS 330 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1xwf n LYS 330 Cb 0.55 -1.12 0.01 0.00 -0.02 0.00 0.00 35.03 34.45 1xwf n LYS 330 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xwf n ASN 331 N -0.62 1.43 0.00 4.39 6.94 -1.26 -5.02 115.26 121.13 1xwf n ASN 331 Ca 0.03 -1.39 0.00 0.00 -0.02 0.00 0.00 54.58 53.19 1xwf n ASN 331 Cb 0.01 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 1xwf n ASN 331 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xwf n GLY 332 N -0.14 3.17 3.82 4.83 0.00 -0.79 -5.07 105.19 111.01 1xwf n GLY 332 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1xwf n GLY 332 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xwf s HIS 333 N -2.89 3.42 0.22 1.61 3.76 -1.26 -4.83 115.29 115.32 1xwf s HIS 333 Ca 0.00 1.52 0.05 0.00 -0.15 0.00 0.00 55.06 56.48 1xwf s HIS 333 Cb 0.00 -2.76 -0.03 0.00 1.11 0.00 0.00 32.58 30.89 1xwf s HIS 333 CO 0.00 0.03 0.28 1.03 -0.85 0.00 0.00 174.74 175.24 1xwf s ARG 334 N -2.84 3.26 -0.21 1.40 3.00 -1.26 -1.11 118.95 121.20 1xwf s ARG 334 Ca 0.56 -0.81 -0.04 0.00 0.00 0.00 0.00 55.73 55.45 1xwf s ARG 334 Cb -0.12 -2.80 0.07 0.00 0.00 0.00 0.00 34.95 32.10 1xwf s ARG 334 CO 0.17 0.45 0.08 0.42 0.00 0.00 0.00 175.30 176.41 1xwf s ILE 335 N -1.94 0.22 -0.38 1.52 -1.09 -0.17 -1.30 121.20 118.06 1xwf s ILE 335 Ca 0.34 -0.50 -0.27 0.00 -2.23 0.00 0.00 60.65 57.99 1xwf s ILE 335 Cb -0.09 -0.90 0.02 0.00 -1.58 0.00 0.00 42.46 39.91 1xwf s ILE 335 CO 0.27 -0.35 0.97 -0.63 -1.23 0.00 0.00 174.94 173.97 1xwf s ILE 336 N 1.99 4.52 -0.20 2.92 1.09 0.01 -1.53 121.20 130.00 1xwf s ILE 336 Ca 0.03 1.22 -0.06 0.00 -1.10 0.00 0.00 60.65 60.74 1xwf s ILE 336 Cb -0.17 -4.38 -0.03 0.00 -1.06 0.00 0.00 42.46 36.83 1xwf s ILE 336 CO -0.14 -0.61 0.01 -0.22 -0.10 0.00 0.00 174.94 173.89 1xwf s LEU 337 N 3.63 3.36 0.33 2.97 1.98 0.11 -0.67 118.68 130.39 1xwf s LEU 337 Ca 0.40 -0.15 0.03 0.00 -2.89 0.00 0.00 54.13 51.52 1xwf s LEU 337 Cb -0.11 -1.85 -0.02 0.00 0.66 0.00 0.00 46.19 44.86 1xwf s LEU 337 CO 0.20 0.08 0.50 -0.76 -1.89 0.00 0.00 176.35 174.48 1xwf s LEU 338 N 0.92 4.02 -0.00 -0.68 1.43 -0.75 -1.46 118.68 122.16 1xwf s LEU 338 Ca 0.02 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1xwf s LEU 338 Cb -0.14 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.03 1xwf s LEU 338 CO 0.02 -0.33 0.00 0.00 0.23 0.00 0.00 176.35 176.27 1xwf n ALA 339 N -1.71 -0.41 -1.62 4.21 0.00 0.04 -0.30 120.51 120.73 1xwf n ALA 339 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.23 1xwf n ALA 339 Cb 0.57 -0.36 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 1xwf n ALA 339 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1xwf n GLU 340 N -1.62 -1.45 0.00 0.00 4.07 -1.26 -0.41 120.64 119.98 1xwf n GLU 340 Ca -0.00 1.02 0.00 0.00 -0.06 0.00 0.00 57.16 58.12 1xwf n GLU 340 Cb 0.21 -5.38 0.00 0.00 -0.06 0.00 0.00 31.44 26.20 1xwf n GLU 340 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xwf n GLY 341 N -0.40 1.96 3.65 8.31 0.00 0.59 -4.98 105.19 114.32 1xwf n GLY 341 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1xwf n GLY 341 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwf n ARG 342 N -1.88 -1.81 -1.55 1.61 1.74 0.46 -4.07 116.66 111.15 1xwf n ARG 342 Ca 0.00 -1.91 -0.47 0.00 -0.77 0.00 0.00 57.85 54.70 1xwf n ARG 342 Cb 0.00 -1.41 -0.05 0.00 -1.02 0.00 0.00 32.46 29.98 1xwf n ARG 342 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xwf n LEU 343 N 0.00 2.88 -0.20 0.55 4.32 -1.25 -4.36 117.00 118.94 1xwf n LEU 343 Ca 0.16 0.43 -0.07 0.00 -0.02 0.00 0.00 56.01 56.50 1xwf n LEU 343 Cb 0.56 -1.41 0.07 0.00 -1.62 0.00 0.00 43.42 41.02 1xwf n LEU 343 CO 0.41 -0.58 0.87 1.62 -1.22 0.00 0.00 177.39 178.49 1xwf h VAL 344 N 6.82 1.26 0.00 4.08 3.04 -1.70 0.59 116.25 130.34 1xwf h VAL 344 Ca -0.37 -1.07 -0.10 0.00 -1.01 0.00 0.00 66.70 64.15 1xwf h VAL 344 Cb 1.28 0.73 -0.01 0.00 -2.01 0.00 0.00 31.29 31.28 1xwf h VAL 344 CO 0.98 0.39 -0.47 -0.55 -1.01 0.00 0.00 177.57 176.91 1xwf h ASN 345 N 0.95 0.00 0.50 3.17 -1.07 -1.85 0.28 115.58 117.56 1xwf h ASN 345 Ca 0.18 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.26 1xwf h ASN 345 Cb 0.48 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.72 1xwf h ASN 345 CO 0.02 0.47 -1.52 -0.07 0.07 0.00 0.00 177.43 176.40 1xwf h LEU 346 N 0.00 0.30 -0.45 6.14 3.38 -1.74 -1.48 115.31 121.46 1xwf h LEU 346 Ca -0.00 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1xwf h LEU 346 Cb 0.85 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1xwf h LEU 346 CO 0.06 1.36 -0.40 0.61 0.09 0.00 0.00 178.44 180.17 1xwf n GLY 347 N 1.63 -0.65 0.00 0.83 0.00 0.20 -4.32 105.19 102.89 1xwf n GLY 347 Ca -0.15 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1xwf n GLY 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwf n ALA 349 N -0.15 0.27 -0.87 0.00 0.00 -1.09 -4.59 120.51 114.08 1xwf n ALA 349 Ca 0.00 -0.78 -0.22 0.00 0.00 0.00 0.00 53.44 52.45 1xwf n ALA 349 Cb 0.09 0.60 0.10 0.00 0.00 0.00 0.00 19.45 20.24 1xwf n ALA 349 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1xwf n MET 350 N -0.28 2.08 0.00 0.00 0.00 -1.25 -4.56 117.12 113.10 1xwf n MET 350 Ca 0.02 -2.31 0.00 0.00 0.00 0.00 0.00 57.70 55.40 1xwf n MET 350 Cb 0.24 -1.91 0.00 0.00 0.00 0.00 0.00 33.22 31.55 1xwf n MET 350 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xwf n GLY 351 N -0.51 2.02 3.91 3.03 0.00 -0.58 -4.73 105.19 108.34 1xwf n GLY 351 Ca 0.45 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1xwf n GLY 351 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xwf s HIS 352 N 0.00 3.54 0.96 1.61 3.76 -1.26 -4.73 115.29 119.16 1xwf s HIS 352 Ca 0.00 0.76 -0.12 0.00 -0.15 0.00 0.00 55.06 55.56 1xwf s HIS 352 Cb 0.00 -2.25 0.17 0.00 1.11 0.00 0.00 32.58 31.61 1xwf s HIS 352 CO 0.00 -0.17 1.09 -2.14 -0.85 0.00 0.00 174.74 172.66 1xwf s PRO 353 N -4.50 0.75 0.06 8.40 0.02 -1.26 -4.88 135.00 133.59 1xwf s PRO 353 Ca 0.47 0.88 -0.23 0.00 0.02 0.00 0.00 61.00 62.13 1xwf s PRO 353 Cb -0.10 -1.75 -0.16 0.00 0.02 0.00 0.00 34.50 32.52 1xwf s PRO 353 CO 0.41 -2.61 1.63 0.77 -0.33 0.00 0.00 177.00 176.87 1xwf h SER 354 N -1.82 0.02 -0.73 2.53 0.02 -1.94 -2.83 113.55 108.80 1xwf h SER 354 Ca -0.51 -0.12 0.12 0.00 -0.84 0.00 0.00 61.79 60.44 1xwf h SER 354 Cb 1.30 -0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.75 1xwf h SER 354 CO 0.53 0.13 0.32 0.15 -1.14 0.00 0.00 176.83 176.82 1xwf h PHE 355 N -0.10 0.55 0.32 3.45 3.57 -1.89 0.22 116.94 123.06 1xwf h PHE 355 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1xwf h PHE 355 Cb 0.12 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1xwf h PHE 355 CO -0.04 0.13 -0.15 -0.24 -2.23 0.00 0.00 178.31 175.78 1xwf h VAL 356 N 0.50 0.70 -0.98 1.41 3.04 -1.84 -2.38 116.25 116.70 1xwf h VAL 356 Ca 0.38 -0.17 0.17 0.00 -1.01 0.00 0.00 66.70 66.07 1xwf h VAL 356 Cb 0.52 0.80 -0.09 0.00 -2.01 0.00 0.00 31.29 30.51 1xwf h VAL 356 CO -0.35 0.04 0.61 0.24 -1.01 0.00 0.00 177.57 177.10 1xwf h MET 357 N -0.52 0.74 -0.17 4.17 2.86 -1.08 0.33 114.93 121.26 1xwf h MET 357 Ca -0.04 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.60 1xwf h MET 357 Cb 0.39 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1xwf h MET 357 CO 0.07 0.49 0.20 1.03 1.06 0.00 0.00 176.91 179.76 1xwf h SER 358 N 0.76 0.00 0.04 1.22 0.87 -0.07 0.23 113.55 116.61 1xwf h SER 358 Ca 0.53 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 61.09 1xwf h SER 358 Cb 0.83 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1xwf h SER 358 CO -0.30 0.00 -0.02 0.78 -0.53 0.00 0.00 176.83 176.75 1xwf h ASN 359 N 0.00 -0.05 0.72 6.23 4.21 -0.27 -2.82 115.58 123.60 1xwf h ASN 359 Ca 0.08 -0.41 0.00 0.00 1.21 0.00 0.00 56.30 57.18 1xwf h ASN 359 Cb 0.48 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 1xwf h ASN 359 CO -0.00 0.63 0.00 0.77 -1.29 0.00 0.00 177.43 177.54 1xwf h SER 360 N -0.98 0.00 0.71 5.81 4.64 -1.39 -2.84 113.55 119.51 1xwf h SER 360 Ca -0.01 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 1xwf h SER 360 Cb 0.46 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 1xwf h SER 360 CO 0.01 0.00 -1.41 -0.26 -0.87 0.00 0.00 176.83 174.30 1xwf h PHE 361 N 0.00 0.00 -0.11 4.77 0.04 -1.06 -3.11 116.94 117.47 1xwf h PHE 361 Ca 0.00 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 1xwf h PHE 361 Cb 0.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1xwf h PHE 361 CO 0.00 0.73 -0.59 1.15 -0.60 0.00 0.00 178.31 179.00 1xwf h THR 362 N 0.00 1.36 -0.80 -1.55 2.02 -1.27 -0.91 112.91 111.76 1xwf h THR 362 Ca -0.18 -1.91 0.05 0.00 0.77 0.00 0.00 66.41 65.14 1xwf h THR 362 Cb 1.71 1.92 -0.05 0.00 -1.74 0.00 0.00 68.15 69.99 1xwf h THR 362 CO 0.06 0.58 0.50 0.78 0.37 0.00 0.00 175.52 177.81 1xwf h ASN 363 N 0.27 0.80 -0.40 4.18 2.35 -1.56 -0.48 115.58 120.73 1xwf h ASN 363 Ca -0.00 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1xwf h ASN 363 Cb 1.11 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.30 1xwf h ASN 363 CO 0.10 0.53 0.19 -0.61 -1.65 0.00 0.00 177.43 175.98 1xwf h GLN 364 N 0.94 0.58 -0.65 0.81 5.75 -1.23 -0.81 115.11 120.50 1xwf h GLN 364 Ca 0.34 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.72 1xwf h GLN 364 Cb 0.10 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1xwf h GLN 364 CO -0.15 0.52 0.31 0.28 -2.65 0.00 0.00 178.83 177.14 1xwf h VAL 365 N 0.51 1.22 -0.72 2.39 2.07 -0.55 -2.64 116.25 118.53 1xwf h VAL 365 Ca 0.14 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1xwf h VAL 365 Cb 0.13 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1xwf h VAL 365 CO -0.02 0.26 0.30 0.24 0.02 0.00 0.00 177.57 178.37 1xwf h MET 366 N 0.89 1.07 -0.81 1.57 2.86 -0.75 -2.42 114.93 117.33 1xwf h MET 366 Ca 0.22 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1xwf h MET 366 Cb 0.12 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 1xwf h MET 366 CO -0.03 0.88 0.52 0.00 1.06 0.00 0.00 176.91 179.34 1xwf h ALA 367 N 1.14 1.03 0.28 6.32 0.00 -0.88 -1.28 119.26 125.88 1xwf h ALA 367 Ca 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xwf h ALA 367 Cb 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xwf h ALA 367 CO -0.02 0.46 -0.24 1.96 0.00 0.00 0.00 179.25 181.41 1xwf h GLN 368 N 1.11 -0.52 -0.15 0.00 1.08 -1.12 0.77 115.11 116.28 1xwf h GLN 368 Ca 0.30 0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.58 1xwf h GLN 368 Cb -0.10 0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 27.39 1xwf h GLN 368 CO -0.06 -0.35 -0.29 0.82 -0.95 0.00 0.00 178.83 178.01 1xwf h ILE 369 N -0.54 0.34 0.05 2.54 2.04 -1.22 0.21 117.51 120.92 1xwf h ILE 369 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1xwf h ILE 369 Cb 0.48 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1xwf h ILE 369 CO -0.03 0.00 -0.09 -0.33 0.00 0.00 0.00 178.15 177.71 1xwf h GLU 370 N -0.35 -0.14 -1.17 2.37 4.39 -0.96 0.34 114.58 119.07 1xwf h GLU 370 Ca 0.10 0.01 0.34 0.00 0.34 0.00 0.00 59.36 60.15 1xwf h GLU 370 Cb 0.51 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.09 1xwf h GLU 370 CO -0.34 -0.09 0.77 1.25 -1.16 0.00 0.00 179.01 179.44 1xwf h LEU 371 N -0.14 0.30 -1.30 1.33 5.85 -0.76 0.52 115.31 121.12 1xwf h LEU 371 Ca -0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1xwf h LEU 371 Cb 0.13 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1xwf h LEU 371 CO -0.03 -0.01 -0.27 1.87 -0.34 0.00 0.00 178.44 179.66 1xwf n TRP 372 N -4.56 0.00 -0.01 1.25 -0.00 0.72 -3.90 117.44 110.93 1xwf n TRP 372 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.79 1xwf n TRP 372 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.44 1xwf n TRP 372 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1xwf n THR 373 N 0.43 0.00 -2.44 5.87 -1.04 0.12 -4.75 114.28 112.47 1xwf n THR 373 Ca 0.10 -0.44 -0.05 0.00 -2.04 0.00 0.00 64.05 61.63 1xwf n THR 373 Cb 0.47 1.01 0.05 0.00 -1.82 0.00 0.00 70.33 70.04 1xwf n THR 373 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1xwf n HIS 374 N -0.81 1.29 -0.28 -1.42 8.25 0.17 -4.93 115.22 117.48 1xwf n HIS 374 Ca 0.00 -1.80 0.06 0.00 -0.26 0.00 0.00 57.72 55.72 1xwf n HIS 374 Cb 0.00 -0.25 0.16 0.00 1.12 0.00 0.00 29.99 31.03 1xwf n HIS 374 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1xwf h PRO 375 N 2.04 0.05 -0.94 -0.41 0.13 -1.72 0.74 132.00 131.89 1xwf h PRO 375 Ca -0.01 -0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.36 1xwf h PRO 375 Cb 1.43 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.49 1xwf h PRO 375 CO 0.30 0.03 0.64 -0.44 -0.23 0.00 0.00 178.00 178.30 1xwf h ASP 376 N 0.05 0.22 1.17 1.44 5.19 -1.93 0.24 116.42 122.80 1xwf h ASP 376 Ca 0.44 0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.81 1xwf h ASP 376 Cb 0.76 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.26 1xwf h ASP 376 CO -0.78 0.07 -0.30 0.11 -3.12 0.00 0.00 179.24 175.22 1xwf h LYS 377 N 0.21 0.00 -3.42 3.56 1.57 0.11 -3.41 116.57 115.19 1xwf h LYS 377 Ca 0.48 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.62 1xwf h LYS 377 Cb 1.51 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.41 1xwf h LYS 377 CO -0.11 0.30 -0.63 0.71 -0.57 0.00 0.00 179.45 179.14 1xwf s TYR 378 N -3.41 3.20 0.86 -1.35 1.51 0.85 -5.10 117.35 113.91 1xwf s TYR 378 Ca 0.02 -3.17 -0.11 0.00 -1.01 0.00 0.00 57.07 52.79 1xwf s TYR 378 Cb 0.09 -2.82 0.10 0.00 -0.11 0.00 0.00 41.96 39.22 1xwf s TYR 378 CO 0.67 -0.75 1.09 -1.25 -1.11 0.00 0.00 175.55 174.21 1xwf s PRO 379 N -0.26 1.59 -0.14 -1.71 0.04 -1.26 -4.67 135.00 128.59 1xwf s PRO 379 Ca 0.17 0.89 -0.35 0.00 0.04 0.00 0.00 61.00 61.75 1xwf s PRO 379 Cb -0.26 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.32 1xwf s PRO 379 CO -0.00 -2.03 1.86 0.28 0.04 0.00 0.00 177.00 177.14 1xwf n VAL 380 N -3.75 0.53 0.00 -0.36 0.31 -1.26 -4.59 118.33 109.20 1xwf n VAL 380 Ca 0.07 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1xwf n VAL 380 Cb 0.55 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 1xwf n VAL 380 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xwf n GLY 381 N 4.39 1.50 3.51 2.92 0.00 -1.26 -4.91 105.19 111.34 1xwf n GLY 381 Ca 0.24 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 1xwf n GLY 381 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwf s VAL 382 N -1.99 5.20 0.31 1.61 0.11 -1.26 -0.55 120.40 123.83 1xwf s VAL 382 Ca 0.00 -0.31 0.07 0.00 -2.93 0.00 0.00 61.98 58.81 1xwf s VAL 382 Cb 0.00 -3.71 -0.03 0.00 -1.53 0.00 0.00 36.38 31.12 1xwf s VAL 382 CO 0.00 -0.05 0.31 -1.00 -3.33 0.00 0.00 175.10 171.03 1xwf s HIS 383 N 1.70 3.01 0.02 1.54 4.02 0.17 -4.79 115.29 120.96 1xwf s HIS 383 Ca 0.06 -0.23 0.01 0.00 1.02 0.00 0.00 55.06 55.92 1xwf s HIS 383 Cb -0.18 -1.73 -0.04 0.00 -1.02 0.00 0.00 32.58 29.61 1xwf s HIS 383 CO 0.10 0.24 0.05 -0.06 1.02 0.00 0.00 174.74 176.09 1xwf s PHE 384 N -2.23 3.19 0.36 1.40 0.40 -1.26 0.15 117.98 120.00 1xwf s PHE 384 Ca 0.39 0.13 -0.27 0.00 -0.60 0.00 0.00 56.93 56.58 1xwf s PHE 384 Cb -0.07 -1.68 -0.10 0.00 0.51 0.00 0.00 43.02 41.68 1xwf s PHE 384 CO 0.27 0.52 1.29 -1.17 0.70 0.00 0.00 175.22 176.83 1xwf s LEU 385 N -1.85 4.33 0.63 -0.37 2.96 -1.26 -4.95 118.68 118.16 1xwf s LEU 385 Ca 0.23 2.64 -0.19 0.00 -0.22 0.00 0.00 54.13 56.60 1xwf s LEU 385 Cb -0.12 -3.78 -0.02 0.00 0.50 0.00 0.00 46.19 42.78 1xwf s LEU 385 CO 0.15 -0.66 1.30 -2.16 -1.32 0.00 0.00 176.35 173.66 1xwf s PRO 386 N -2.00 2.68 0.28 0.98 0.04 -1.26 -4.87 135.00 130.84 1xwf s PRO 386 Ca 0.53 2.08 -0.00 0.00 0.04 0.00 0.00 61.00 63.65 1xwf s PRO 386 Cb -0.38 -1.92 0.39 0.00 0.04 0.00 0.00 34.50 32.62 1xwf s PRO 386 CO 0.50 -1.50 1.78 -0.22 0.04 0.00 0.00 177.00 177.59 1xwf h LYS 387 N 0.73 0.71 -0.08 4.56 3.64 -1.99 -1.41 116.57 122.74 1xwf h LYS 387 Ca -0.51 -0.19 0.02 0.00 -1.27 0.00 0.00 60.65 58.70 1xwf h LYS 387 Cb 1.33 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1xwf h LYS 387 CO 0.54 0.74 0.12 -0.22 -2.27 0.00 0.00 179.45 178.37 1xwf h LYS 388 N 0.67 0.00 0.00 1.90 3.11 -1.98 0.12 116.57 120.38 1xwf h LYS 388 Ca 0.13 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 1xwf h LYS 388 Cb 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.68 1xwf h LYS 388 CO 0.02 0.00 -0.92 -0.07 -2.81 0.00 0.00 179.45 175.67 1xwf h LEU 389 N 0.00 0.00 0.19 5.20 3.38 -1.62 -3.01 115.31 119.45 1xwf h LEU 389 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xwf h LEU 389 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1xwf h LEU 389 CO -0.00 0.01 -0.09 -0.78 0.09 0.00 0.00 178.44 177.66 1xwf h ASP 390 N 0.00 -0.22 -0.85 -0.43 -0.00 -0.56 -2.46 116.42 111.91 1xwf h ASP 390 Ca 0.00 -0.31 0.23 0.00 -0.00 0.00 0.00 57.03 56.95 1xwf h ASP 390 Cb 0.99 0.06 -0.04 0.00 -0.00 0.00 0.00 39.33 40.33 1xwf h ASP 390 CO 0.00 0.31 0.60 -0.33 -0.00 0.00 0.00 179.24 179.82 1xwf h GLU 391 N -0.86 0.09 -0.56 0.28 5.08 -1.46 0.17 114.58 117.32 1xwf h GLU 391 Ca -0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1xwf h GLU 391 Cb 0.51 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1xwf h GLU 391 CO 0.04 0.06 0.26 0.00 -1.00 0.00 0.00 179.01 178.38 1xwf h ALA 392 N 1.59 0.73 -0.88 3.43 0.00 -1.35 -0.09 119.26 122.69 1xwf h ALA 392 Ca 0.41 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1xwf h ALA 392 Cb 1.49 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1xwf h ALA 392 CO -0.05 0.30 0.48 0.28 0.00 0.00 0.00 179.25 180.26 1xwf h VAL 393 N 0.76 1.26 0.60 0.00 2.07 -0.21 -2.70 116.25 118.03 1xwf h VAL 393 Ca 0.19 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1xwf h VAL 393 Cb 0.13 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1xwf h VAL 393 CO -0.02 0.29 -0.29 0.00 0.02 0.00 0.00 177.57 177.57 1xwf h ALA 394 N 1.29 -0.90 -1.05 1.67 0.00 -1.15 -3.16 119.26 115.97 1xwf h ALA 394 Ca 0.31 -0.18 0.39 0.00 0.00 0.00 0.00 54.91 55.43 1xwf h ALA 394 Cb 0.04 0.31 -0.16 0.00 0.00 0.00 0.00 17.79 17.98 1xwf h ALA 394 CO -0.05 -0.84 0.60 1.49 0.00 0.00 0.00 179.25 180.45 1xwf h GLU 395 N -1.07 0.13 0.00 0.00 4.22 -1.01 1.18 114.58 118.03 1xwf h GLU 395 Ca -0.08 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.35 1xwf h GLU 395 Cb 0.61 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1xwf h GLU 395 CO 0.13 0.09 0.00 0.00 -2.18 0.00 0.00 179.01 177.05 1xwf n ALA 396 N -2.31 1.41 0.13 2.92 0.00 -1.02 -2.40 120.51 119.24 1xwf n ALA 396 Ca 0.36 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.80 1xwf n ALA 396 Cb 1.20 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 1xwf n ALA 396 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xwf n HIS 397 N -1.47 0.00 0.24 0.00 8.25 0.41 -4.20 115.22 118.44 1xwf n HIS 397 Ca 0.02 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.64 1xwf n HIS 397 Cb 0.10 -0.12 0.84 0.00 1.12 0.00 0.00 29.99 31.92 1xwf n HIS 397 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1xwf h LEU 398 N 0.00 0.00 0.21 2.41 4.07 -1.18 -2.83 115.31 117.98 1xwf h LEU 398 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1xwf h LEU 398 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1xwf h LEU 398 CO 0.00 0.00 -0.10 1.23 -1.08 0.00 0.00 178.44 178.49 1xwf h GLY 399 N 0.00 -0.29 -0.93 0.83 0.00 -1.79 0.09 103.07 100.98 1xwf h GLY 399 Ca 0.00 0.11 0.13 0.00 0.00 0.00 0.00 47.33 47.57 1xwf h GLY 399 CO 0.00 -0.10 -0.40 1.17 0.00 0.00 0.00 176.54 177.21 1xwf n LYS 400 N -4.95 -0.25 -0.04 4.80 3.00 -1.07 0.16 118.16 119.81 1xwf n LYS 400 Ca -0.05 1.43 0.08 0.00 -0.00 0.00 0.00 58.31 59.77 1xwf n LYS 400 Cb 0.18 -2.13 0.40 0.00 0.00 0.00 0.00 35.03 33.48 1xwf n LYS 400 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1xwf n LEU 401 N -5.34 0.63 -3.37 3.14 -0.00 -1.23 -4.96 117.00 105.86 1xwf n LEU 401 Ca 0.08 -0.27 -0.18 0.00 -0.00 0.00 0.00 56.01 55.64 1xwf n LEU 401 Cb 0.35 -0.05 0.04 0.00 -0.00 0.00 0.00 43.42 43.77 1xwf n LEU 401 CO -0.13 0.14 0.05 -3.20 -0.00 0.00 0.00 177.39 174.24 1xwf n ASN 402 N -0.33 -6.40 -4.31 1.45 5.15 0.42 -5.00 115.26 106.24 1xwf n ASN 402 Ca 0.13 -0.69 -0.33 0.00 -0.60 0.00 0.00 54.58 53.09 1xwf n ASN 402 Cb 0.15 -4.49 -0.15 0.00 -0.53 0.00 0.00 39.78 34.76 1xwf n ASN 402 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1xwf s VAL 403 N -3.31 2.76 -0.60 3.44 -7.23 -0.02 -5.03 120.40 110.40 1xwf s VAL 403 Ca 0.35 -0.76 -0.25 0.00 -1.81 0.00 0.00 61.98 59.51 1xwf s VAL 403 Cb -0.08 -2.14 0.04 0.00 0.56 0.00 0.00 36.38 34.76 1xwf s VAL 403 CO 0.79 0.53 1.05 -0.54 -0.31 0.00 0.00 175.10 176.61 1xwf s LYS 404 N 0.47 3.32 -0.20 4.82 3.01 -1.26 -4.75 119.74 125.15 1xwf s LYS 404 Ca -0.11 -0.23 -0.29 0.00 -1.01 0.00 0.00 55.97 54.32 1xwf s LYS 404 Cb -0.16 -4.09 -0.00 0.00 -1.01 0.00 0.00 37.83 32.57 1xwf s LYS 404 CO 0.05 -1.67 1.20 -1.17 0.51 0.00 0.00 175.35 174.27 1xwf s LEU 405 N 4.43 4.11 0.31 3.17 2.96 -1.26 -5.00 118.68 127.40 1xwf s LEU 405 Ca 0.32 1.53 -0.29 0.00 -0.22 0.00 0.00 54.13 55.47 1xwf s LEU 405 Cb -0.11 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.94 1xwf s LEU 405 CO 0.19 -0.78 1.27 -0.89 -1.32 0.00 0.00 176.35 174.81 1xwf s THR 406 N 3.54 2.91 -0.20 3.68 2.01 -1.26 -5.01 115.64 121.31 1xwf s THR 406 Ca 0.52 0.90 -0.05 0.00 0.31 0.00 0.00 61.69 63.36 1xwf s THR 406 Cb -0.19 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1xwf s THR 406 CO 0.13 0.20 0.00 -0.75 -0.69 0.00 0.00 174.62 173.52 1xwf s LYS 407 N -1.52 3.63 1.05 4.92 2.36 -1.26 -5.09 119.74 123.83 1xwf s LYS 407 Ca 0.49 -0.51 -0.16 0.00 -2.55 0.00 0.00 55.97 53.24 1xwf s LYS 407 Cb -0.38 -3.09 0.09 0.00 -1.05 0.00 0.00 37.83 33.40 1xwf s LYS 407 CO 0.49 0.02 0.21 -0.11 1.55 0.00 0.00 175.35 177.51 1xwf n LEU 408 N 4.21 -1.40 -4.06 5.43 7.94 -1.26 -5.02 117.00 122.84 1xwf n LEU 408 Ca -0.17 0.06 -0.18 0.00 -1.11 0.00 0.00 56.01 54.61 1xwf n LEU 408 Cb 0.52 -1.07 -0.14 0.00 0.53 0.00 0.00 43.42 43.26 1xwf n LEU 408 CO 0.32 -3.30 -0.43 0.42 -1.11 0.00 0.00 177.39 173.28 1xwf s THR 409 N -2.31 0.76 0.07 1.96 -4.23 -1.26 -4.92 115.64 105.71 1xwf s THR 409 Ca 0.57 -0.65 -0.11 0.00 -1.18 0.00 0.00 61.69 60.32 1xwf s THR 409 Cb -0.16 -0.69 -0.00 0.00 1.34 0.00 0.00 72.50 72.99 1xwf s THR 409 CO 0.67 0.04 0.58 -0.62 -0.54 0.00 0.00 174.62 174.75 1xwf n GLU 410 N 2.37 -0.15 0.07 3.99 -0.58 -1.26 0.11 120.64 125.19 1xwf n GLU 410 Ca -0.16 0.57 -0.12 0.00 -0.42 0.00 0.00 57.16 57.04 1xwf n GLU 410 Cb 0.56 -0.84 -0.05 0.00 -0.57 0.00 0.00 31.44 30.54 1xwf n GLU 410 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1xwf h LYS 411 N 0.00 -0.25 0.49 3.49 3.64 -1.98 0.11 116.57 122.06 1xwf h LYS 411 Ca 0.08 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1xwf h LYS 411 Cb 0.17 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1xwf h LYS 411 CO -0.36 -0.17 -0.32 1.96 -2.27 0.00 0.00 179.45 178.29 1xwf h GLN 412 N -0.26 -0.74 -0.96 1.90 4.20 0.34 0.11 115.11 119.70 1xwf h GLN 412 Ca 0.04 0.05 0.21 0.00 0.06 0.00 0.00 58.65 59.00 1xwf h GLN 412 Cb 0.30 0.17 -0.18 0.00 0.30 0.00 0.00 27.48 28.07 1xwf h GLN 412 CO -0.11 -0.49 -0.18 0.00 -0.67 0.00 0.00 178.83 177.38 1xwf h ALA 413 N -1.39 0.75 0.58 3.87 0.00 0.18 0.29 119.26 123.53 1xwf h ALA 413 Ca -0.06 0.36 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1xwf h ALA 413 Cb 0.62 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xwf h ALA 413 CO 0.05 -0.42 -0.30 0.37 0.00 0.00 0.00 179.25 178.94 1xwf h GLN 414 N 0.00 -0.78 -0.72 0.00 5.75 -0.60 0.64 115.11 119.40 1xwf h GLN 414 Ca 0.49 0.05 0.16 0.00 -0.15 0.00 0.00 58.65 59.20 1xwf h GLN 414 Cb 0.81 0.18 -0.11 0.00 1.07 0.00 0.00 27.48 29.43 1xwf h GLN 414 CO -0.97 -0.52 0.12 -0.92 -2.65 0.00 0.00 178.83 173.89 1xwf h TYR 415 N -0.81 0.16 0.00 3.99 3.20 0.17 0.31 116.97 123.99 1xwf h TYR 415 Ca -0.07 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 1xwf h TYR 415 Cb 0.64 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1xwf h TYR 415 CO -0.06 -0.13 -0.32 -0.07 -1.64 0.00 0.00 178.16 175.95 1xwf h LEU 416 N 0.21 0.00 -2.63 2.82 3.38 -0.17 -3.48 115.31 115.43 1xwf h LEU 416 Ca 0.40 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.25 1xwf h LEU 416 Cb 0.69 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.53 1xwf h LEU 416 CO -0.54 0.32 -0.39 0.61 0.09 0.00 0.00 178.44 178.52 1xwf n GLY 417 N 0.42 -0.02 3.44 0.83 0.00 0.21 -5.06 105.19 105.00 1xwf n GLY 417 Ca 0.01 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 1xwf n GLY 417 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xwf s MET 418 N -3.76 1.16 0.08 1.61 0.23 -0.68 -5.03 119.30 112.91 1xwf s MET 418 Ca 0.18 -0.23 -0.31 0.00 -1.03 0.00 0.00 55.69 54.30 1xwf s MET 418 Cb -0.02 0.54 -0.07 0.00 -1.53 0.00 0.00 34.83 33.75 1xwf s MET 418 CO 0.34 -0.45 1.27 -1.25 -2.03 0.00 0.00 175.02 172.90 1xwf s PRO 419 N -2.79 4.39 0.59 3.16 0.04 -1.26 -4.46 135.00 134.67 1xwf s PRO 419 Ca -0.03 1.89 0.32 0.00 0.04 0.00 0.00 61.00 63.21 1xwf s PRO 419 Cb -0.01 -3.31 1.27 0.00 0.04 0.00 0.00 34.50 32.50 1xwf s PRO 419 CO -0.04 -0.33 1.57 0.97 0.04 0.00 0.00 177.00 179.21 1xwf h ILE 420 N 4.41 0.15 0.00 0.56 2.10 -1.95 -0.56 117.51 122.23 1xwf h ILE 420 Ca -0.42 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.52 1xwf h ILE 420 Cb 1.21 0.23 0.00 0.00 -1.09 0.00 0.00 36.82 37.18 1xwf h ILE 420 CO 0.83 0.00 -1.00 0.59 -1.08 0.00 0.00 178.15 177.50 1xwf n ASN 421 N -3.58 4.98 -4.25 2.19 3.02 -1.26 -4.53 115.26 111.83 1xwf n ASN 421 Ca 0.22 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.48 1xwf n ASN 421 Cb 1.31 0.76 0.26 0.00 -0.61 0.00 0.00 39.78 41.50 1xwf n ASN 421 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwf n GLY 422 N 2.73 -2.47 3.57 7.41 0.00 -0.22 -4.85 105.19 111.36 1xwf n GLY 422 Ca 0.00 -1.25 -0.50 0.00 0.00 0.00 0.00 46.02 44.27 1xwf n GLY 422 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xwf n PRO 423 N -4.88 1.11 0.00 1.61 -0.02 -1.26 -4.67 135.00 126.88 1xwf n PRO 423 Ca 0.04 0.39 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 1xwf n PRO 423 Cb 0.55 -1.91 0.23 0.00 -0.02 0.00 0.00 33.50 32.36 1xwf n PRO 423 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1xwf n PHE 424 N 1.65 0.00 -3.85 6.00 3.72 -1.26 -4.59 117.46 119.12 1xwf n PHE 424 Ca 0.16 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.44 1xwf n PHE 424 Cb 0.23 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.67 1xwf n PHE 424 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1xwf s LYS 425 N -2.00 0.48 1.05 -1.08 1.02 -1.26 -5.13 119.74 112.81 1xwf s LYS 425 Ca 0.31 -0.32 -0.12 0.00 0.02 0.00 0.00 55.97 55.86 1xwf s LYS 425 Cb 0.20 0.20 0.20 0.00 -0.52 0.00 0.00 37.83 37.91 1xwf s LYS 425 CO 0.31 -0.11 0.93 -2.30 -0.92 0.00 0.00 175.35 173.25 1xwf n PRO 426 N 1.57 -1.41 0.09 -1.68 -0.02 -1.26 -4.91 135.00 127.38 1xwf n PRO 426 Ca -0.22 -0.37 -0.05 0.00 -2.02 0.00 0.00 63.50 60.85 1xwf n PRO 426 Cb 0.56 -2.18 0.12 0.00 -0.02 0.00 0.00 33.50 31.98 1xwf n PRO 426 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xwf h ASP 427 N -2.23 0.24 -0.02 2.55 3.32 -2.03 -2.85 116.42 115.40 1xwf h ASP 427 Ca -0.52 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.39 1xwf h ASP 427 Cb 1.31 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1xwf h ASP 427 CO 0.44 0.79 0.00 0.00 -1.72 0.00 0.00 179.24 178.75 1xwf n HIS 428 N -3.86 0.02 -1.71 4.55 1.44 -1.26 -4.86 115.22 109.55 1xwf n HIS 428 Ca -0.02 -0.01 -0.42 0.00 -2.01 0.00 0.00 57.72 55.26 1xwf n HIS 428 Cb 0.62 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.73 1xwf n HIS 428 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 1xwf n TYR 429 N -0.65 2.30 0.56 -1.40 9.36 -1.08 -4.91 117.16 121.34 1xwf n TYR 429 Ca 0.18 0.52 0.06 0.00 3.32 0.00 0.00 57.90 61.98 1xwf n TYR 429 Cb 0.14 -2.41 -0.01 0.00 -0.63 0.00 0.00 39.34 36.42 1xwf n TYR 429 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1xwf n ARG 430 N 0.32 2.04 -0.12 2.98 1.74 -1.26 -5.04 116.66 117.32 1xwf n ARG 430 Ca 0.05 -0.61 0.00 0.00 -0.77 0.00 0.00 57.85 56.52 1xwf n ARG 430 Cb 0.38 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 1xwf n ARG 430 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77