#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 2.72 -2.51 -1.24 4.01 -1.26 -5.07 118.16 114.81 1xwf n LYS 3 Ca 0.00 -4.71 -0.30 0.00 -0.51 0.00 0.00 58.31 52.78 1xwf n LYS 3 Cb 0.00 -2.26 -0.02 0.00 -0.51 0.00 0.00 35.03 32.24 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 -2.69 3.62 0.22 -0.35 1.43 -1.26 -4.98 118.68 114.67 1xwf s LEU 4 Ca 0.42 1.24 0.21 0.00 -1.03 0.00 0.00 54.13 54.97 1xwf s LEU 4 Cb 0.17 -4.19 0.03 0.00 0.03 0.00 0.00 46.19 42.24 1xwf s LEU 4 CO -0.03 -0.58 1.12 1.55 0.23 0.00 0.00 176.35 178.64 1xwf h PRO 5 N 0.64 0.00 -1.13 1.29 0.13 -1.97 -3.49 132.00 127.47 1xwf h PRO 5 Ca -0.46 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 64.97 1xwf h PRO 5 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 1xwf h PRO 5 CO 0.62 0.08 0.95 1.52 -0.23 0.00 0.00 178.00 180.94 1xwf s TYR 6 N -3.23 -0.04 -0.32 1.56 -0.85 -1.26 -3.81 117.35 109.40 1xwf s TYR 6 Ca 0.01 0.03 -0.02 0.00 -0.52 0.00 0.00 57.07 56.57 1xwf s TYR 6 Cb 0.08 0.50 0.12 0.00 0.38 0.00 0.00 41.96 43.05 1xwf s TYR 6 CO 0.77 -0.06 0.19 0.21 -1.52 0.00 0.00 175.55 175.15 1xwf s LYS 7 N -1.99 0.38 0.29 -3.49 2.47 0.14 -4.94 119.74 112.60 1xwf s LYS 7 Ca 0.11 -0.86 0.12 0.00 -1.56 0.00 0.00 55.97 53.77 1xwf s LYS 7 Cb -0.01 -1.15 -0.05 0.00 -1.46 0.00 0.00 37.83 35.16 1xwf s LYS 7 CO -0.03 -1.12 -0.18 0.14 0.16 0.00 0.00 175.35 174.33 1xwf s VAL 8 N 1.63 2.50 0.00 4.02 -7.23 -1.26 -2.39 120.40 117.68 1xwf s VAL 8 Ca 0.13 -2.36 0.00 0.00 -1.81 0.00 0.00 61.98 57.95 1xwf s VAL 8 Cb -0.19 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.38 1xwf s VAL 8 CO -0.18 -0.37 0.97 0.00 -0.31 0.00 0.00 175.10 175.21 1xwf n ALA 9 N -0.66 -0.20 -3.70 1.32 0.00 -1.25 -4.62 120.51 111.39 1xwf n ALA 9 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.19 1xwf n ALA 9 Cb 0.60 0.28 -0.18 0.00 0.00 0.00 0.00 19.45 20.16 1xwf n ALA 9 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xwf s ASP 10 N -2.57 1.17 0.52 0.00 -1.08 -1.26 -5.01 116.67 108.42 1xwf s ASP 10 Ca 0.00 0.03 0.20 0.00 -0.52 0.00 0.00 52.55 52.26 1xwf s ASP 10 Cb 0.00 -0.22 1.34 0.00 -1.46 0.00 0.00 42.92 42.58 1xwf s ASP 10 CO 0.00 -0.22 2.12 -0.29 0.52 0.00 0.00 175.17 177.30 1xwf h ILE 11 N 6.39 0.88 -0.69 4.11 6.09 -1.93 -2.85 117.51 129.52 1xwf h ILE 11 Ca -0.17 -0.24 0.12 0.00 -1.37 0.00 0.00 64.86 63.19 1xwf h ILE 11 Cb 1.12 1.14 -0.08 0.00 0.47 0.00 0.00 36.82 39.47 1xwf h ILE 11 CO 0.21 0.07 0.28 1.23 -3.07 0.00 0.00 178.15 176.87 1xwf h GLY 12 N 0.25 1.02 -0.03 8.18 0.00 -1.95 -2.47 103.07 108.07 1xwf h GLY 12 Ca -0.00 -0.15 0.16 0.00 0.00 0.00 0.00 47.33 47.34 1xwf h GLY 12 CO 0.01 -0.04 0.86 1.41 0.00 0.00 0.00 176.54 178.78 1xwf h LEU 13 N 0.46 0.00 -0.96 3.11 -0.00 -1.85 -3.23 115.31 112.84 1xwf h LEU 13 Ca 0.36 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 58.33 1xwf h LEU 13 Cb 0.49 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.03 1xwf h LEU 13 CO -0.35 0.00 -0.58 0.00 -0.00 0.00 0.00 178.44 177.52 1xwf h ALA 14 N 0.78 -0.52 -0.99 1.53 0.00 -1.65 -0.55 119.26 117.85 1xwf h ALA 14 Ca 0.26 0.12 0.31 0.00 0.00 0.00 0.00 54.91 55.60 1xwf h ALA 14 Cb 1.98 1.34 -0.18 0.00 0.00 0.00 0.00 17.79 20.93 1xwf h ALA 14 CO -0.00 -0.96 0.17 0.00 0.00 0.00 0.00 179.25 178.46 1xwf h ALA 15 N 0.51 1.44 0.12 0.00 0.00 -1.84 0.92 119.26 120.42 1xwf h ALA 15 Ca 0.16 0.32 -0.30 0.00 0.00 0.00 0.00 54.91 55.10 1xwf h ALA 15 Cb 0.43 0.53 0.03 0.00 0.00 0.00 0.00 17.79 18.78 1xwf h ALA 15 CO -0.92 -0.68 -1.25 2.35 0.00 0.00 0.00 179.25 178.76 1xwf h TRP 16 N 0.01 1.03 -0.93 0.00 7.01 -1.55 -2.63 115.95 118.89 1xwf h TRP 16 Ca 0.67 -0.64 0.04 0.00 2.11 0.00 0.00 58.89 61.07 1xwf h TRP 16 Cb 1.51 -0.08 -0.06 0.00 -2.10 0.00 0.00 29.16 28.43 1xwf h TRP 16 CO -0.37 1.48 0.60 0.78 -2.79 0.00 0.00 178.44 178.15 1xwf h GLY 17 N 0.28 1.38 1.72 2.65 0.00 0.15 0.14 103.07 109.41 1xwf h GLY 17 Ca -0.19 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.64 1xwf h GLY 17 CO 0.24 0.36 -0.08 -0.09 0.00 0.00 0.00 176.54 176.97 1xwf h ARG 18 N 1.14 0.34 -0.92 4.80 9.65 0.58 -1.45 114.38 128.53 1xwf h ARG 18 Ca 0.38 -0.08 0.01 0.00 -1.10 0.00 0.00 59.98 59.20 1xwf h ARG 18 Cb 0.06 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.55 1xwf h ARG 18 CO -0.14 0.44 0.61 0.87 2.80 0.00 0.00 179.97 184.55 1xwf h LYS 19 N 0.33 1.21 0.41 0.20 1.57 -0.36 -2.85 116.57 117.07 1xwf h LYS 19 Ca 0.07 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1xwf h LYS 19 Cb 0.36 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1xwf h LYS 19 CO 0.02 0.80 -0.19 0.00 -0.57 0.00 0.00 179.45 179.50 1xwf h ALA 20 N 1.34 -0.54 -0.53 3.86 0.00 -0.51 -3.11 119.26 119.77 1xwf h ALA 20 Ca 0.34 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.21 1xwf h ALA 20 Cb -0.14 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1xwf h ALA 20 CO -0.07 -0.64 0.64 -0.07 0.00 0.00 0.00 179.25 179.11 1xwf h LEU 21 N -0.88 0.00 0.19 0.00 3.38 -1.21 0.13 115.31 116.92 1xwf h LEU 21 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1xwf h LEU 21 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1xwf h LEU 21 CO 0.09 0.00 -0.09 0.44 0.09 0.00 0.00 178.44 178.97 1xwf h ASP 22 N 0.00 -0.22 -0.34 -0.43 3.32 -1.44 -2.01 116.42 115.31 1xwf h ASP 22 Ca 0.25 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1xwf h ASP 22 Cb 1.53 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 41.11 1xwf h ASP 22 CO -0.00 0.33 0.15 0.40 -1.72 0.00 0.00 179.24 178.39 1xwf h ILE 23 N -0.96 0.95 -0.47 0.35 5.03 -1.19 -3.04 117.51 118.18 1xwf h ILE 23 Ca -0.03 -0.11 0.06 0.00 -0.12 0.00 0.00 64.86 64.67 1xwf h ILE 23 Cb 0.46 0.61 -0.05 0.00 -3.03 0.00 0.00 36.82 34.81 1xwf h ILE 23 CO 0.04 0.06 0.18 0.00 -0.68 0.00 0.00 178.15 177.75 1xwf h ALA 24 N 1.19 0.58 -0.45 1.87 0.00 -0.88 -2.82 119.26 118.75 1xwf h ALA 24 Ca 0.15 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.24 1xwf h ALA 24 Cb 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1xwf h ALA 24 CO -0.12 -0.20 0.34 0.93 0.00 0.00 0.00 179.25 180.20 1xwf h GLU 25 N 0.37 0.00 0.00 0.00 5.08 -1.24 0.54 114.58 119.33 1xwf h GLU 25 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1xwf h GLU 25 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1xwf h GLU 25 CO -0.21 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.89 1xwf n ASN 26 N -4.31 0.54 -0.54 1.42 4.13 -1.06 -2.50 115.26 112.94 1xwf n ASN 26 Ca 0.08 0.60 0.10 0.00 1.68 0.00 0.00 54.58 57.04 1xwf n ASN 26 Cb 0.54 -0.73 0.02 0.00 -1.54 0.00 0.00 39.78 38.08 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 -2.06 1.56 -3.61 3.52 -0.58 0.16 -4.65 120.64 114.99 1xwf n GLU 27 Ca 0.04 -1.14 -0.27 0.00 -0.42 0.00 0.00 57.16 55.37 1xwf n GLU 27 Cb 0.28 -1.38 -0.10 0.00 -0.57 0.00 0.00 31.44 29.67 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 0.28 2.05 -0.27 3.49 2.81 -1.04 -2.57 117.12 121.87 1xwf n MET 28 Ca 0.09 -4.46 -0.03 0.00 -1.81 0.00 0.00 57.70 51.49 1xwf n MET 28 Cb 0.44 -2.19 0.08 0.00 -0.71 0.00 0.00 33.22 30.84 1xwf n MET 28 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1xwf h PRO 29 N 4.72 0.93 -0.01 0.03 0.11 -1.83 -2.61 132.00 133.34 1xwf h PRO 29 Ca 0.18 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1xwf h PRO 29 Cb 0.72 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 1xwf h PRO 29 CO 0.75 0.61 -0.04 0.78 -0.21 0.00 0.00 178.00 179.90 1xwf h GLY 30 N 0.95 -1.50 0.54 -0.55 0.00 -1.80 0.40 103.07 101.11 1xwf h GLY 30 Ca 0.30 0.66 0.10 0.00 0.00 0.00 0.00 47.33 48.38 1xwf h GLY 30 CO -0.10 -0.56 0.53 1.41 0.00 0.00 0.00 176.54 177.82 1xwf h LEU 31 N -0.04 0.78 -1.90 3.11 3.38 -1.75 0.16 115.31 119.05 1xwf h LEU 31 Ca 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1xwf h LEU 31 Cb 0.05 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1xwf h LEU 31 CO -0.03 0.45 -0.12 0.24 0.09 0.00 0.00 178.44 179.07 1xwf h MET 32 N 0.89 0.00 -0.02 1.13 2.86 -1.09 -0.59 114.93 118.11 1xwf h MET 32 Ca 0.42 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.93 1xwf h MET 32 Cb 0.36 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.03 1xwf h MET 32 CO -0.24 0.12 -0.50 -0.09 1.06 0.00 0.00 176.91 177.26 1xwf h ARG 33 N 0.00 0.36 -0.82 1.72 9.65 0.26 -2.94 114.38 122.61 1xwf h ARG 33 Ca -0.00 -0.37 0.15 0.00 -1.10 0.00 0.00 59.98 58.65 1xwf h ARG 33 Cb 0.25 0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 28.87 1xwf h ARG 33 CO 0.02 1.05 0.54 0.52 2.80 0.00 0.00 179.97 184.89 1xwf h MET 34 N -0.17 0.53 -0.43 0.20 2.86 -0.53 0.23 114.93 117.62 1xwf h MET 34 Ca -0.06 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1xwf h MET 34 Cb 1.21 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 1xwf h MET 34 CO 0.10 0.35 0.03 0.00 1.06 0.00 0.00 176.91 178.45 1xwf h ARG 35 N 0.55 0.75 0.36 1.72 3.08 -1.09 -1.51 114.38 118.23 1xwf h ARG 35 Ca 0.41 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 1xwf h ARG 35 Cb 0.79 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1xwf h ARG 35 CO -0.16 0.80 -0.17 0.93 -1.07 0.00 0.00 179.97 180.30 1xwf h GLU 36 N 0.59 -0.46 -0.66 0.04 5.08 -0.47 0.32 114.58 119.01 1xwf h GLU 36 Ca 0.13 0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.71 1xwf h GLU 36 Cb 0.45 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1xwf h GLU 36 CO 0.02 -0.31 0.71 0.52 -1.00 0.00 0.00 179.01 178.95 1xwf h MET 37 N -0.60 0.00 0.00 2.33 2.86 -0.99 -3.03 114.93 115.50 1xwf h MET 37 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1xwf h MET 37 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1xwf h MET 37 CO 0.08 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.71 1xwf n TYR 38 N -3.59 0.00 0.08 -0.22 4.01 -0.57 -4.72 117.16 112.14 1xwf n TYR 38 Ca 0.14 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.98 1xwf n TYR 38 Cb 0.95 0.00 0.57 0.00 -0.31 0.00 0.00 39.34 40.55 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 0.18 0.00 7.72 0.87 -0.21 0.02 113.55 122.12 1xwf h SER 39 Ca 0.00 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1xwf h SER 39 Cb 0.20 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1xwf h SER 39 CO 0.00 0.12 -0.18 0.00 -0.53 0.00 0.00 176.83 176.24 1xwf h ALA 40 N 1.83 0.03 -0.66 6.23 0.00 -1.81 -3.34 119.26 121.54 1xwf h ALA 40 Ca 0.14 -0.42 0.13 0.00 0.00 0.00 0.00 54.91 54.76 1xwf h ALA 40 Cb 0.30 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1xwf h ALA 40 CO -0.02 0.12 0.44 0.77 0.00 0.00 0.00 179.25 180.56 1xwf h SER 41 N -1.00 0.30 -6.28 0.00 0.02 -1.80 -3.46 113.55 101.33 1xwf h SER 41 Ca -0.04 0.01 -0.46 0.00 -0.84 0.00 0.00 61.79 60.46 1xwf h SER 41 Cb 0.68 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 1xwf h SER 41 CO -0.02 0.16 -0.81 0.29 -1.14 0.00 0.00 176.83 175.31 1xwf n LYS 42 N -4.45 -4.86 0.00 3.45 4.76 -0.03 -4.78 118.16 112.24 1xwf n LYS 42 Ca 0.12 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 1xwf n LYS 42 Cb 0.50 -5.23 0.00 0.00 -1.84 0.00 0.00 35.03 28.46 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 -4.48 0.00 -0.24 1.97 -0.04 -1.19 -1.37 135.00 129.65 1xwf n PRO 43 Ca -0.12 0.05 0.06 0.00 -0.04 0.00 0.00 63.50 63.45 1xwf n PRO 43 Cb 0.60 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.02 3.16 -4.74 1.53 4.77 0.08 -4.86 117.00 115.92 1xwf n LEU 44 Ca 0.00 -2.28 -0.41 0.00 -0.03 0.00 0.00 56.01 53.29 1xwf n LEU 44 Cb 0.00 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 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 0.20 2.29 -0.75 3.23 4.76 0.68 -1.36 118.16 127.21 1xwf n LYS 45 Ca 0.14 0.81 0.00 0.00 -2.87 0.00 0.00 58.31 56.39 1xwf n LYS 45 Cb 0.55 -2.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.21 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 0.63 1.47 3.73 0.72 0.00 -1.26 -5.00 105.19 105.49 1xwf n GLY 46 Ca 0.04 0.00 -0.38 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 -3.73 3.49 -0.42 4.61 0.00 -0.46 -5.00 121.76 120.25 1xwf s ALA 47 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 1xwf s ALA 47 Cb 0.00 -2.63 0.11 0.00 0.00 0.00 0.00 23.12 20.61 1xwf s ALA 47 CO 0.00 0.04 0.19 1.03 0.00 0.00 0.00 175.76 177.02 1xwf s ARG 48 N 0.48 1.91 -0.10 0.00 0.52 -1.26 -1.06 118.95 119.45 1xwf s ARG 48 Ca 0.26 -1.97 -0.21 0.00 -0.52 0.00 0.00 55.73 53.29 1xwf s ARG 48 Cb -0.15 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.80 1xwf s ARG 48 CO 0.11 -1.05 0.60 0.42 0.02 0.00 0.00 175.30 175.39 1xwf s ILE 49 N 0.85 5.11 -0.48 1.52 1.01 0.90 -1.99 121.20 128.11 1xwf s ILE 49 Ca 0.11 1.21 -0.13 0.00 0.00 0.00 0.00 60.65 61.83 1xwf s ILE 49 Cb -0.22 -3.93 0.10 0.00 0.01 0.00 0.00 42.46 38.42 1xwf s ILE 49 CO -0.05 0.28 0.39 0.00 0.00 0.00 0.00 174.94 175.56 1xwf s ALA 50 N 0.80 3.50 -0.11 9.38 0.00 -0.72 -1.38 121.76 133.22 1xwf s ALA 50 Ca 0.32 -2.35 -0.13 0.00 0.00 0.00 0.00 51.96 49.80 1xwf s ALA 50 Cb -0.16 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 1xwf s ALA 50 CO 0.14 -1.85 0.30 0.20 0.00 0.00 0.00 175.76 174.56 1xwf s GLY 51 N 2.84 2.28 -0.41 0.00 0.00 -0.20 -2.72 107.32 109.12 1xwf s GLY 51 Ca 0.04 -0.41 0.01 0.00 0.00 0.00 0.00 44.72 44.36 1xwf s GLY 51 CO 0.03 0.24 0.23 0.00 0.00 0.00 0.00 173.10 173.59 1xwf s LEU 53 N 0.62 0.68 -0.33 0.00 0.20 -1.09 -2.51 118.68 116.24 1xwf s LEU 53 Ca 0.18 0.68 -0.35 0.00 0.69 0.00 0.00 54.13 55.32 1xwf s LEU 53 Cb -0.24 1.14 -0.15 0.00 -0.43 0.00 0.00 46.19 46.51 1xwf s LEU 53 CO 0.00 -0.12 1.17 1.41 -0.29 0.00 0.00 176.35 178.52 1xwf n HIS 54 N 3.01 1.23 -2.60 5.38 8.25 -1.26 -3.94 115.22 125.28 1xwf n HIS 54 Ca -0.14 0.87 -0.42 0.00 -0.26 0.00 0.00 57.72 57.77 1xwf n HIS 54 Cb 0.57 -1.69 -0.02 0.00 1.12 0.00 0.00 29.99 29.97 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 1.98 3.69 0.25 -0.41 1.75 -1.26 -4.70 119.30 120.60 1xwf s MET 55 Ca 0.79 -1.39 0.01 0.00 -1.25 0.00 0.00 55.69 53.85 1xwf s MET 55 Cb -1.12 -5.36 0.01 0.00 2.84 0.00 0.00 34.83 31.20 1xwf s MET 55 CO 0.60 -2.18 0.07 0.25 -0.65 0.00 0.00 175.02 173.11 1xwf n THR 56 N 6.62 0.00 0.02 10.11 -2.24 -1.26 -0.56 114.28 126.97 1xwf n THR 56 Ca 0.36 -1.12 -0.03 0.00 -2.27 0.00 0.00 64.05 60.99 1xwf n THR 56 Cb 0.50 0.06 0.22 0.00 -2.10 0.00 0.00 70.33 69.00 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 0.94 1.26 -0.04 2.28 2.07 -1.91 -1.98 116.25 118.86 1xwf h VAL 57 Ca -0.19 -1.20 -0.18 0.00 0.82 0.00 0.00 66.70 65.95 1xwf h VAL 57 Cb 0.61 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1xwf h VAL 57 CO 0.31 0.38 -0.76 -0.33 0.02 0.00 0.00 177.57 177.19 1xwf h GLU 58 N 0.43 0.30 -0.24 1.57 3.07 -1.96 -2.82 114.58 114.93 1xwf h GLU 58 Ca 0.07 -0.26 -0.13 0.00 -0.50 0.00 0.00 59.36 58.54 1xwf h GLU 58 Cb 0.62 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 1xwf h GLU 58 CO 0.04 0.92 -0.38 1.15 -1.40 0.00 0.00 179.01 179.35 1xwf h THR 59 N 0.19 1.30 -0.33 1.13 2.02 -1.80 -1.93 112.91 113.48 1xwf h THR 59 Ca -0.03 -1.53 0.01 0.00 0.77 0.00 0.00 66.41 65.63 1xwf h THR 59 Cb 1.34 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 69.26 1xwf h THR 59 CO 0.12 0.48 0.19 0.00 0.37 0.00 0.00 175.52 176.68 1xwf h ALA 60 N 1.14 0.41 -0.43 6.16 0.00 -1.27 0.50 119.26 125.76 1xwf h ALA 60 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xwf h ALA 60 Cb 0.87 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1xwf h ALA 60 CO 0.07 -0.17 0.28 0.28 0.00 0.00 0.00 179.25 179.71 1xwf h VAL 61 N 0.39 1.12 0.46 0.00 2.07 -1.22 -0.91 116.25 118.15 1xwf h VAL 61 Ca 0.13 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1xwf h VAL 61 Cb 0.01 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1xwf h VAL 61 CO -0.06 0.11 -0.22 0.25 0.02 0.00 0.00 177.57 177.67 1xwf h LEU 62 N 0.59 -0.52 -0.47 2.57 5.85 -0.28 -2.37 115.31 120.69 1xwf h LEU 62 Ca 0.16 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1xwf h LEU 62 Cb -0.05 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.02 1xwf h LEU 62 CO -0.03 -0.24 -0.10 0.40 -0.34 0.00 0.00 178.44 178.13 1xwf h ILE 63 N -0.81 0.55 0.00 4.05 2.04 0.35 0.25 117.51 123.94 1xwf h ILE 63 Ca -0.06 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1xwf h ILE 63 Cb 0.56 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1xwf h ILE 63 CO 0.10 0.00 0.00 -0.33 0.00 0.00 0.00 178.15 177.93 1xwf h GLU 64 N 0.01 0.00 0.09 2.37 5.08 -1.21 -2.74 114.58 118.19 1xwf h GLU 64 Ca 0.23 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.33 1xwf h GLU 64 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1xwf h GLU 64 CO -0.47 0.00 -1.15 1.15 -1.00 0.00 0.00 179.01 177.54 1xwf h THR 65 N 0.00 1.51 -0.29 1.13 2.02 0.04 -1.87 112.91 115.45 1xwf h THR 65 Ca 0.00 -2.99 -0.16 0.00 0.77 0.00 0.00 66.41 64.03 1xwf h THR 65 Cb 0.39 2.83 -0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1xwf h THR 65 CO 0.00 0.87 -0.46 -0.07 0.37 0.00 0.00 175.52 176.23 1xwf h LEU 66 N 0.09 0.90 -0.18 2.58 3.38 -1.17 -2.57 115.31 118.34 1xwf h LEU 66 Ca -0.11 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1xwf h LEU 66 Cb 1.86 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 1xwf h LEU 66 CO 0.19 1.24 0.08 0.58 0.09 0.00 0.00 178.44 180.62 1xwf h VAL 67 N 0.58 1.13 -0.34 1.22 2.07 -1.53 -1.54 116.25 117.85 1xwf h VAL 67 Ca 0.02 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.25 1xwf h VAL 67 Cb 1.06 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1xwf h VAL 67 CO 0.10 0.13 0.24 0.00 0.02 0.00 0.00 177.57 178.07 1xwf h ALA 68 N 0.95 2.31 -0.17 1.67 0.00 -1.31 1.29 119.26 123.99 1xwf h ALA 68 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xwf h ALA 68 Cb 0.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xwf h ALA 68 CO -0.01 -0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.11 1xwf n LEU 69 N -4.43 1.83 -2.54 0.00 4.32 -0.60 -4.46 117.00 111.12 1xwf n LEU 69 Ca 0.05 -0.92 -0.00 0.00 -0.02 0.00 0.00 56.01 55.11 1xwf n LEU 69 Cb 0.42 -0.40 -0.00 0.00 -1.62 0.00 0.00 43.42 41.81 1xwf n LEU 69 CO 0.36 0.32 -0.44 0.61 -1.22 0.00 0.00 177.39 177.01 1xwf n GLY 70 N 0.40 -4.21 3.55 -0.72 0.00 0.44 -0.74 105.19 103.92 1xwf n GLY 70 Ca 0.07 0.46 -0.12 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.34 -1.87 -0.03 4.61 0.00 -1.19 -0.23 121.76 121.71 1xwf s ALA 71 Ca -0.02 1.43 -0.14 0.00 0.00 0.00 0.00 51.96 53.23 1xwf s ALA 71 Cb 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1xwf s ALA 71 CO 0.68 -0.38 0.37 -1.21 0.00 0.00 0.00 175.76 175.22 1xwf s GLU 72 N -1.41 3.88 0.02 0.00 0.41 -0.22 -4.37 118.70 117.01 1xwf s GLU 72 Ca -0.03 0.33 0.02 0.00 -0.41 0.00 0.00 54.97 54.88 1xwf s GLU 72 Cb -0.00 -3.23 -0.02 0.00 -1.78 0.00 0.00 34.13 29.10 1xwf s GLU 72 CO 0.02 0.67 -0.08 0.08 -0.49 0.00 0.00 175.26 175.46 1xwf s VAL 73 N -0.95 0.56 -0.06 2.63 1.01 -1.26 -0.07 120.40 122.25 1xwf s VAL 73 Ca 0.22 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 1xwf s VAL 73 Cb -0.16 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.69 1xwf s VAL 73 CO 0.12 -0.15 -0.02 -0.13 0.00 0.00 0.00 175.10 174.91 1xwf s ARG 74 N -0.99 0.77 0.16 2.72 0.52 -0.48 -4.21 118.95 117.45 1xwf s ARG 74 Ca -0.04 -0.01 0.10 0.00 -0.52 0.00 0.00 55.73 55.26 1xwf s ARG 74 Cb -0.07 -0.96 -0.04 0.00 0.52 0.00 0.00 34.95 34.40 1xwf s ARG 74 CO 0.00 -0.21 -0.19 -0.46 0.02 0.00 0.00 175.30 174.46 1xwf s TRP 75 N 1.50 2.44 -0.15 -0.53 -0.11 0.01 -1.03 118.94 121.08 1xwf s TRP 75 Ca -0.02 -0.30 -0.12 0.00 1.22 0.00 0.00 56.10 56.88 1xwf s TRP 75 Cb -0.13 -1.24 0.04 0.00 -1.50 0.00 0.00 33.47 30.64 1xwf s TRP 75 CO -0.03 0.45 0.38 -1.54 -4.62 0.00 0.00 176.95 171.59 1xwf s SER 76 N -2.50 -0.41 0.40 5.86 1.04 -0.53 -0.47 113.70 117.10 1xwf s SER 76 Ca 0.20 0.78 -0.25 0.00 0.48 0.00 0.00 55.95 57.16 1xwf s SER 76 Cb -0.09 0.75 -0.08 0.00 0.10 0.00 0.00 66.02 66.69 1xwf s SER 76 CO 0.11 -0.15 1.14 -0.55 0.98 0.00 0.00 173.24 174.77 1xwf s SER 77 N 0.54 6.55 0.00 7.02 0.15 -1.26 -2.69 113.70 124.02 1xwf s SER 77 Ca -0.03 2.28 0.30 0.00 0.70 0.00 0.00 55.95 59.20 1xwf s SER 77 Cb -0.04 -2.61 1.49 0.00 -1.71 0.00 0.00 66.02 63.15 1xwf s SER 77 CO -0.03 -0.65 2.02 0.00 1.20 0.00 0.00 173.24 175.78 1xwf s ASN 79 N -2.48 1.47 0.37 0.00 3.84 -1.26 -4.93 114.94 111.95 1xwf s ASN 79 Ca 0.31 -0.63 0.24 0.00 0.21 0.00 0.00 52.86 52.99 1xwf s ASN 79 Cb 0.20 -0.02 0.40 0.00 -0.55 0.00 0.00 41.25 41.28 1xwf s ASN 79 CO 0.45 -0.13 1.58 0.16 -2.79 0.00 0.00 177.10 176.38 1xwf h ILE 80 N 4.24 0.00 0.00 -5.21 3.07 -1.90 -3.38 117.51 114.33 1xwf h ILE 80 Ca -0.39 -0.89 -0.04 0.00 1.55 0.00 0.00 64.86 65.09 1xwf h ILE 80 Cb 1.19 1.83 -0.01 0.00 -0.27 0.00 0.00 36.82 39.57 1xwf h ILE 80 CO 0.42 0.00 -1.23 0.49 -1.05 0.00 0.00 178.15 176.78 1xwf n PHE 81 N -2.88 0.00 0.30 0.16 3.72 -1.26 0.12 117.46 117.62 1xwf n PHE 81 Ca 0.04 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.64 1xwf n PHE 81 Cb 0.51 -0.15 1.08 0.00 -0.94 0.00 0.00 39.48 39.98 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 -4.10 4.37 4.64 -1.91 -3.43 113.55 113.12 1xwf h SER 82 Ca -0.06 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.70 1xwf h SER 82 Cb 0.80 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 63.05 1xwf h SER 82 CO 0.00 0.00 0.53 -0.89 -0.87 0.00 0.00 176.83 175.60 1xwf s THR 83 N -4.02 2.01 -0.42 2.95 2.01 -1.26 -4.56 115.64 112.35 1xwf s THR 83 Ca -0.04 0.01 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1xwf s THR 83 Cb 0.11 -3.00 0.12 0.00 0.01 0.00 0.00 72.50 69.74 1xwf s THR 83 CO 0.36 -0.00 0.17 -1.10 -0.69 0.00 0.00 174.62 173.36 1xwf s GLN 84 N -3.34 1.48 0.34 4.92 -0.21 0.28 -4.60 119.66 118.53 1xwf s GLN 84 Ca 0.82 -2.03 0.18 0.00 0.02 0.00 0.00 55.36 54.34 1xwf s GLN 84 Cb -0.38 -2.86 1.20 0.00 1.00 0.00 0.00 33.01 31.97 1xwf s GLN 84 CO 0.41 -1.05 1.48 -0.25 -2.12 0.00 0.00 175.29 173.75 1xwf n ASP 85 N 3.80 0.28 0.15 5.90 10.43 -1.26 0.70 116.55 136.55 1xwf n ASP 85 Ca 0.04 1.56 0.03 0.00 2.57 0.00 0.00 54.79 58.99 1xwf n ASP 85 Cb 0.37 -0.74 0.15 0.00 1.84 0.00 0.00 41.12 42.75 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 0.00 -0.06 1.24 2.07 -1.90 0.02 115.15 116.52 1xwf h HIS 86 Ca 0.77 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 58.25 1xwf h HIS 86 Cb 2.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.98 1xwf h HIS 86 CO -0.06 0.51 -0.11 0.00 -3.07 0.00 0.00 177.93 175.20 1xwf h ALA 87 N 1.49 0.10 -0.25 6.11 0.00 -0.06 -2.65 119.26 124.00 1xwf h ALA 87 Ca -0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1xwf h ALA 87 Cb 1.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1xwf h ALA 87 CO 0.07 -0.03 -0.12 0.00 0.00 0.00 0.00 179.25 179.17 1xwf h ALA 88 N 0.49 1.35 0.51 0.00 0.00 -1.11 -2.92 119.26 117.58 1xwf h ALA 88 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1xwf h ALA 88 Cb 0.68 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1xwf h ALA 88 CO 0.03 0.44 -0.48 0.00 0.00 0.00 0.00 179.25 179.24 1xwf h ALA 89 N 1.51 -1.09 -0.18 0.00 0.00 -0.90 -1.63 119.26 116.98 1xwf h ALA 89 Ca 0.07 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1xwf h ALA 89 Cb 0.44 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1xwf h ALA 89 CO 0.02 -1.15 -0.41 0.00 0.00 0.00 0.00 179.25 177.72 1xwf h ALA 90 N -0.79 -0.53 -0.83 0.00 0.00 -1.36 -0.48 119.26 115.28 1xwf h ALA 90 Ca -0.06 0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.06 1xwf h ALA 90 Cb 0.85 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 1xwf h ALA 90 CO -0.05 -0.90 0.56 0.82 0.00 0.00 0.00 179.25 179.69 1xwf h ILE 91 N -0.45 0.68 0.31 0.00 2.04 -1.38 -0.10 117.51 118.61 1xwf h ILE 91 Ca 0.09 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1xwf h ILE 91 Cb 0.61 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1xwf h ILE 91 CO -0.42 0.05 -0.15 0.00 0.00 0.00 0.00 178.15 177.63 1xwf h ALA 92 N 1.62 -0.42 -0.39 1.87 0.00 -0.13 -2.70 119.26 119.11 1xwf h ALA 92 Ca 0.41 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.27 1xwf h ALA 92 Cb 1.20 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1xwf h ALA 92 CO -0.11 -0.45 0.61 -0.22 0.00 0.00 0.00 179.25 179.08 1xwf h LYS 93 N -1.00 0.00 0.00 0.00 3.11 -0.68 0.70 116.57 118.70 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 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 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 -2.14 2.53 -2.77 5.00 0.00 -0.10 -4.88 120.51 118.16 1xwf n ALA 94 Ca 0.07 -0.13 -0.07 0.00 0.00 0.00 0.00 53.44 53.30 1xwf n ALA 94 Cb 0.76 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.89 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 0.71 0.37 2.97 0.00 0.00 0.24 -5.05 105.19 104.43 1xwf n GLY 95 Ca 0.16 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.11 0.97 -0.08 -0.61 1.01 -1.08 -5.06 121.20 113.24 1xwf s ILE 96 Ca 0.15 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.15 1xwf s ILE 96 Cb -0.06 -0.93 -0.07 0.00 0.01 0.00 0.00 42.46 41.41 1xwf s ILE 96 CO 0.25 0.33 2.04 -2.84 0.00 0.00 0.00 174.94 174.71 1xwf s PRO 97 N 0.96 3.74 -0.03 2.79 0.02 -1.25 -4.24 135.00 136.99 1xwf s PRO 97 Ca -0.09 2.32 0.01 0.00 0.02 0.00 0.00 61.00 63.26 1xwf s PRO 97 Cb -0.15 -4.23 0.01 0.00 0.02 0.00 0.00 34.50 30.15 1xwf s PRO 97 CO 0.00 -1.41 -0.04 0.08 -0.33 0.00 0.00 177.00 175.30 1xwf s VAL 98 N 5.96 0.45 -0.59 3.83 1.01 -1.26 -0.81 120.40 129.00 1xwf s VAL 98 Ca 0.92 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.81 1xwf s VAL 98 Cb -0.38 -0.45 0.18 0.00 0.00 0.00 0.00 36.38 35.73 1xwf s VAL 98 CO 0.38 0.18 0.48 0.49 0.00 0.00 0.00 175.10 176.63 1xwf n PHE 99 N 3.66 1.83 -3.79 5.22 3.72 0.38 0.25 117.46 128.73 1xwf n PHE 99 Ca -0.22 -3.95 -0.13 0.00 -0.05 0.00 0.00 57.45 53.11 1xwf n PHE 99 Cb 0.53 -0.33 -0.11 0.00 -0.94 0.00 0.00 39.48 38.63 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 -1.10 -0.63 -0.05 4.37 0.00 -1.00 -4.09 121.76 119.25 1xwf s ALA 100 Ca 0.30 0.51 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 1xwf s ALA 100 Cb 0.02 -0.23 0.11 0.00 0.00 0.00 0.00 23.12 23.01 1xwf s ALA 100 CO -0.16 -0.17 0.90 1.67 0.00 0.00 0.00 175.76 178.00 1xwf s TRP 101 N -0.45 -0.38 0.68 0.00 -2.14 -1.26 -3.96 118.94 111.44 1xwf s TRP 101 Ca -0.06 0.41 -0.17 0.00 2.66 0.00 0.00 56.10 58.95 1xwf s TRP 101 Cb -0.04 0.50 0.01 0.00 -3.10 0.00 0.00 33.47 30.85 1xwf s TRP 101 CO 0.01 -0.50 1.27 0.21 -2.66 0.00 0.00 176.95 175.29 1xwf s LYS 102 N -2.39 2.34 -0.21 3.25 2.47 -1.26 -4.16 119.74 119.78 1xwf s LYS 102 Ca 0.02 1.99 -0.18 0.00 -1.56 0.00 0.00 55.97 56.23 1xwf s LYS 102 Cb -0.01 -1.83 0.03 0.00 -1.46 0.00 0.00 37.83 34.56 1xwf s LYS 102 CO -0.04 -1.74 0.31 0.41 0.16 0.00 0.00 175.35 174.44 1xwf n GLY 103 N 0.79 0.09 3.97 5.54 0.00 0.31 -4.95 105.19 110.94 1xwf n GLY 103 Ca 0.15 0.54 -0.19 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.15 3.02 0.41 1.61 -1.05 -1.13 -5.03 118.70 115.38 1xwf s GLU 104 Ca 0.18 -1.09 -0.08 0.00 -0.15 0.00 0.00 54.97 53.83 1xwf s GLU 104 Cb -0.02 -2.75 -0.05 0.00 -0.44 0.00 0.00 34.13 30.87 1xwf s GLU 104 CO 0.40 0.04 0.73 0.95 0.95 0.00 0.00 175.26 178.34 1xwf s THR 105 N -2.22 4.87 0.40 1.83 -4.23 -1.26 -4.80 115.64 110.24 1xwf s THR 105 Ca 0.45 0.37 0.20 0.00 -1.18 0.00 0.00 61.69 61.53 1xwf s THR 105 Cb -0.09 -3.78 0.40 0.00 1.34 0.00 0.00 72.50 70.38 1xwf s THR 105 CO 0.30 -0.59 1.74 0.44 -0.54 0.00 0.00 174.62 175.98 1xwf h ASP 106 N 0.99 0.41 0.18 3.99 3.32 -1.99 1.00 116.42 124.32 1xwf h ASP 106 Ca -0.47 0.09 -0.17 0.00 0.02 0.00 0.00 57.03 56.50 1xwf h ASP 106 Cb 1.19 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1xwf h ASP 106 CO 0.63 0.04 -0.64 -0.33 -1.72 0.00 0.00 179.24 177.22 1xwf h GLU 107 N 0.34 0.44 -0.25 3.56 3.07 -2.00 -2.88 114.58 116.87 1xwf h GLU 107 Ca 0.63 -0.32 -0.13 0.00 -0.50 0.00 0.00 59.36 59.05 1xwf h GLU 107 Cb 1.68 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 29.64 1xwf h GLU 107 CO -0.32 0.94 -0.34 0.93 -1.40 0.00 0.00 179.01 178.81 1xwf h GLU 108 N 0.32 0.68 0.11 2.33 5.08 0.41 -1.98 114.58 121.53 1xwf h GLU 108 Ca -0.01 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1xwf h GLU 108 Cb 1.19 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1xwf h GLU 108 CO 0.11 1.01 -0.15 -0.92 -1.00 0.00 0.00 179.01 178.06 1xwf h TYR 109 N 0.40 -0.43 -0.96 4.33 3.20 -0.20 0.44 116.97 123.75 1xwf h TYR 109 Ca 0.03 0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.18 1xwf h TYR 109 Cb 0.93 0.17 -0.14 0.00 1.54 0.00 0.00 36.73 39.23 1xwf h TYR 109 CO 0.08 -0.19 0.46 1.25 -1.64 0.00 0.00 178.16 178.12 1xwf h LEU 110 N -0.27 0.38 0.71 2.82 7.12 -1.59 0.19 115.31 124.67 1xwf h LEU 110 Ca -0.01 0.18 -0.03 0.00 0.13 0.00 0.00 57.88 58.14 1xwf h LEU 110 Cb 0.25 0.16 0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1xwf h LEU 110 CO -0.04 -0.09 -0.35 -0.25 -0.13 0.00 0.00 178.44 177.58 1xwf h TRP 111 N 0.34 -0.90 -0.70 1.25 7.01 -0.51 -2.66 115.95 119.78 1xwf h TRP 111 Ca 0.65 -0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.75 1xwf h TRP 111 Cb 1.39 0.30 -0.13 0.00 -2.10 0.00 0.00 29.16 28.62 1xwf h TRP 111 CO -0.09 -0.56 -0.35 0.00 -2.79 0.00 0.00 178.44 174.66 1xwf h ILE 113 N -0.12 0.61 -0.46 0.00 2.04 -1.16 -2.20 117.51 116.22 1xwf h ILE 113 Ca 0.27 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 66.16 1xwf h ILE 113 Cb 0.56 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1xwf h ILE 113 CO -0.76 0.01 0.31 -0.33 0.00 0.00 0.00 178.15 177.38 1xwf h GLU 114 N 0.05 0.42 0.00 2.37 5.08 -0.69 -1.41 114.58 120.39 1xwf h GLU 114 Ca 0.21 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1xwf h GLU 114 Cb 0.32 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1xwf h GLU 114 CO -0.41 0.28 0.00 1.04 -1.00 0.00 0.00 179.01 178.92 1xwf n GLN 115 N -4.48 0.16 0.00 2.33 1.13 -0.83 -1.40 117.38 114.29 1xwf n GLN 115 Ca 0.06 0.57 0.11 0.00 -1.94 0.00 0.00 57.00 55.80 1xwf n GLN 115 Cb 0.21 -1.94 0.07 0.00 0.11 0.00 0.00 30.24 28.70 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 -2.26 0.00 -0.26 5.09 -2.24 -0.53 -4.38 114.28 109.69 1xwf n THR 116 Ca -0.00 -0.03 -0.07 0.00 -2.27 0.00 0.00 64.05 61.68 1xwf n THR 116 Cb 0.10 0.68 0.05 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.28 1.09 -8.73 3.22 3.38 -1.31 -3.44 115.31 109.80 1xwf h LEU 117 Ca 0.00 -0.23 -0.68 0.00 0.09 0.00 0.00 57.88 57.07 1xwf h LEU 117 Cb 0.52 -0.29 -0.26 0.00 0.09 0.00 0.00 40.66 40.73 1xwf h LEU 117 CO 0.00 1.03 -0.78 -1.00 0.09 0.00 0.00 178.44 177.78 1xwf s HIS 118 N -5.35 2.72 0.16 1.13 3.76 -1.26 -0.75 115.29 115.70 1xwf s HIS 118 Ca -0.12 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 54.38 1xwf s HIS 118 Cb 0.15 -1.72 0.02 0.00 1.11 0.00 0.00 32.58 32.15 1xwf s HIS 118 CO 0.85 -0.03 0.19 1.19 -0.85 0.00 0.00 174.74 176.09 1xwf n PHE 119 N 2.90 -2.29 -0.44 1.40 3.01 0.29 -4.97 117.46 117.37 1xwf n PHE 119 Ca -0.18 -0.63 0.07 0.00 1.01 0.00 0.00 57.45 57.73 1xwf n PHE 119 Cb 0.52 -0.15 0.33 0.00 -0.01 0.00 0.00 39.48 40.17 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 -1.20 3.74 -0.03 -1.08 -0.00 -1.26 -3.47 118.16 114.86 1xwf n LYS 120 Ca 0.03 -2.59 0.00 0.00 -0.00 0.00 0.00 58.31 55.75 1xwf n LYS 120 Cb 0.17 -1.94 0.01 0.00 -0.00 0.00 0.00 35.03 33.27 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 0.83 0.82 0.00 -5.58 8.00 -1.26 -5.12 116.55 114.24 1xwf n ASP 121 Ca 0.23 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 54.22 1xwf n ASP 121 Cb 0.89 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 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 -0.24 0.60 3.96 0.44 0.00 -1.23 -5.10 105.19 103.63 1xwf n GLY 122 Ca 0.01 -2.15 -0.27 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.75 1.16 0.83 1.61 0.04 -1.26 0.11 135.00 136.74 1xwf s PRO 123 Ca 0.00 -0.73 -0.11 0.00 0.04 0.00 0.00 61.00 60.19 1xwf s PRO 123 Cb 0.00 -2.08 0.10 0.00 0.04 0.00 0.00 34.50 32.56 1xwf s PRO 123 CO 0.00 -1.94 1.14 -0.48 0.04 0.00 0.00 177.00 175.77 1xwf s LEU 124 N -5.53 3.00 0.00 -3.56 2.34 0.07 -4.70 118.68 110.30 1xwf s LEU 124 Ca 0.70 2.12 0.00 0.00 0.06 0.00 0.00 54.13 57.01 1xwf s LEU 124 Cb -0.05 -4.56 0.00 0.00 -0.56 0.00 0.00 46.19 41.02 1xwf s LEU 124 CO 0.49 -2.63 0.26 -0.46 -1.06 0.00 0.00 176.35 172.95 1xwf n ASN 125 N -3.71 0.47 -3.76 1.48 0.23 -0.84 -4.30 115.26 104.83 1xwf n ASN 125 Ca 0.11 -1.04 -0.13 0.00 -0.53 0.00 0.00 54.58 53.00 1xwf n ASN 125 Cb 0.52 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.11 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 -0.04 0.41 -0.08 -3.83 -1.94 -1.08 0.56 119.30 113.30 1xwf s MET 126 Ca 0.00 0.43 0.04 0.00 -1.71 0.00 0.00 55.69 54.46 1xwf s MET 126 Cb 0.00 0.20 -0.00 0.00 2.01 0.00 0.00 34.83 37.03 1xwf s MET 126 CO 0.00 -0.05 -0.22 0.42 -0.01 0.00 0.00 175.02 175.15 1xwf s ILE 127 N 0.10 1.88 -0.31 2.53 1.01 -0.01 -1.76 121.20 124.65 1xwf s ILE 127 Ca -0.01 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1xwf s ILE 127 Cb -0.02 -1.62 0.09 0.00 0.01 0.00 0.00 42.46 40.91 1xwf s ILE 127 CO 0.01 0.52 0.01 -0.22 0.00 0.00 0.00 174.94 175.26 1xwf s LEU 128 N 0.18 3.85 0.10 2.97 0.20 -1.10 -1.25 118.68 123.64 1xwf s LEU 128 Ca -0.12 -1.80 0.09 0.00 0.69 0.00 0.00 54.13 52.99 1xwf s LEU 128 Cb -0.16 -1.45 -0.04 0.00 -0.43 0.00 0.00 46.19 44.12 1xwf s LEU 128 CO 0.06 -0.33 -0.20 -0.62 -0.29 0.00 0.00 176.35 174.98 1xwf s ASP 129 N 1.11 3.76 -0.22 3.68 -1.08 -0.75 -1.87 116.67 121.30 1xwf s ASP 129 Ca 0.04 -0.56 0.13 0.00 -0.52 0.00 0.00 52.55 51.64 1xwf s ASP 129 Cb -0.19 -0.50 0.45 0.00 -1.46 0.00 0.00 42.92 41.22 1xwf s ASP 129 CO -0.09 0.20 1.19 -0.67 0.52 0.00 0.00 175.17 176.31 1xwf n ASP 130 N 0.99 2.71 0.00 -0.34 2.03 -1.04 -3.04 116.55 117.86 1xwf n ASP 130 Ca -0.16 -3.39 0.00 0.00 0.52 0.00 0.00 54.79 51.76 1xwf n ASP 130 Cb 0.53 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 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 -0.70 0.00 2.63 0.27 0.00 -1.26 -4.76 105.19 101.36 1xwf n GLY 131 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 0.84 0.26 -0.02 0.00 -1.26 -4.34 105.19 100.66 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 0.76 0.39 1.61 5.19 -1.96 1.07 116.42 123.48 1xwf h ASP 133 Ca 0.00 -0.27 -0.15 0.00 -0.62 0.00 0.00 57.03 55.98 1xwf h ASP 133 Cb 0.00 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 1xwf h ASP 133 CO 0.00 0.97 -0.63 0.25 -3.12 0.00 0.00 179.24 176.70 1xwf h LEU 134 N 0.65 0.26 0.00 1.55 7.12 -1.93 -2.06 115.31 120.89 1xwf h LEU 134 Ca 0.09 -0.16 -0.00 0.00 0.13 0.00 0.00 57.88 57.94 1xwf h LEU 134 Cb 0.74 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.79 1xwf h LEU 134 CO 0.06 0.82 -0.00 0.74 -0.13 0.00 0.00 178.44 179.93 1xwf h THR 135 N 0.16 1.65 0.36 1.05 2.02 -1.84 -3.22 112.91 113.10 1xwf h THR 135 Ca -0.01 -2.05 -0.01 0.00 0.77 0.00 0.00 66.41 65.11 1xwf h THR 135 Cb 1.15 3.02 -0.01 0.00 -1.74 0.00 0.00 68.15 70.57 1xwf h THR 135 CO 0.10 0.52 -0.29 0.78 0.37 0.00 0.00 175.52 177.00 1xwf h ASN 136 N -0.90 -0.77 -0.80 4.18 -0.26 0.11 -2.27 115.58 114.87 1xwf h ASN 136 Ca -0.00 0.05 0.14 0.00 -0.56 0.00 0.00 56.30 55.94 1xwf h ASN 136 Cb 0.86 0.24 -0.14 0.00 -1.06 0.00 0.00 38.32 38.22 1xwf h ASN 136 CO 0.00 -0.41 -0.26 -0.11 -1.06 0.00 0.00 177.43 175.60 1xwf n LEU 137 N -4.13 -0.40 0.03 1.61 7.94 -0.78 -1.85 117.00 119.42 1xwf n LEU 137 Ca -0.08 1.39 -0.01 0.00 -1.11 0.00 0.00 56.01 56.21 1xwf n LEU 137 Cb 0.28 -0.37 -0.00 0.00 0.53 0.00 0.00 43.42 43.85 1xwf n LEU 137 CO 0.17 -1.30 0.44 0.40 -1.11 0.00 0.00 177.39 176.00 1xwf h ILE 138 N 0.00 0.00 -0.76 1.96 2.04 -1.54 -0.48 117.51 118.73 1xwf h ILE 138 Ca 0.34 -0.01 0.32 0.00 1.00 0.00 0.00 64.86 66.51 1xwf h ILE 138 Cb 0.54 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.48 1xwf h ILE 138 CO -0.81 0.00 0.41 1.41 0.00 0.00 0.00 178.15 179.15 1xwf n HIS 139 N -2.19 0.89 0.74 1.37 8.25 -0.83 0.19 115.22 123.63 1xwf n HIS 139 Ca -0.01 0.90 0.10 0.00 -0.26 0.00 0.00 57.72 58.45 1xwf n HIS 139 Cb 0.03 -1.32 -0.13 0.00 1.12 0.00 0.00 29.99 29.69 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 -4.72 0.00 0.00 1.59 -2.24 -0.77 -4.30 114.28 103.84 1xwf n THR 140 Ca 0.29 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1xwf n THR 140 Cb 0.98 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 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 -1.68 3.87 -1.57 -0.78 5.02 0.10 -4.83 118.16 118.29 1xwf n LYS 141 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1xwf n LYS 141 Cb 0.38 -0.46 0.08 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.73 0.58 -0.31 2.13 8.25 0.13 -4.93 115.22 120.34 1xwf n HIS 142 Ca 0.00 -1.30 0.29 0.00 -0.26 0.00 0.00 57.72 56.45 1xwf n HIS 142 Cb 0.00 -0.22 0.50 0.00 1.12 0.00 0.00 29.99 31.40 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 -0.30 -0.04 -0.22 -0.41 -0.02 -1.21 -1.16 135.00 131.64 1xwf n PRO 143 Ca 0.15 1.05 -0.09 0.00 -2.02 0.00 0.00 63.50 62.59 1xwf n PRO 143 Cb 0.94 -1.97 -0.07 0.00 -0.02 0.00 0.00 33.50 32.37 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 -0.10 -0.56 -0.52 7.50 -1.91 -1.29 115.11 118.23 1xwf h GLN 144 Ca 0.69 0.01 0.16 0.00 0.50 0.00 0.00 58.65 60.01 1xwf h GLN 144 Cb 2.02 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 29.55 1xwf h GLN 144 CO -0.50 -0.07 0.48 -0.07 -1.50 0.00 0.00 178.83 177.17 1xwf h LEU 145 N -0.10 0.00 -0.81 1.46 3.38 -1.55 -3.26 115.31 114.42 1xwf h LEU 145 Ca 0.09 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.15 1xwf h LEU 145 Cb 0.34 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.97 1xwf h LEU 145 CO -0.57 0.00 -0.54 -0.07 0.09 0.00 0.00 178.44 177.34 1xwf h LEU 146 N 0.00 -1.94 -1.44 1.67 -0.00 -1.36 0.96 115.31 113.21 1xwf h LEU 146 Ca 0.26 0.30 0.00 0.00 -0.00 0.00 0.00 57.88 58.44 1xwf h LEU 146 Cb 1.21 0.86 0.00 0.00 -0.00 0.00 0.00 40.66 42.73 1xwf h LEU 146 CO -0.00 -0.29 0.28 0.28 -0.00 0.00 0.00 178.44 178.70 1xwf h SER 147 N -0.12 0.00 0.69 -0.43 0.02 -1.75 0.47 113.55 112.43 1xwf h SER 147 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1xwf h SER 147 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1xwf h SER 147 CO -0.83 0.00 -1.15 0.61 -1.14 0.00 0.00 176.83 174.32 1xwf n GLY 148 N -1.25 -1.33 3.68 -3.77 0.00 0.33 -4.88 105.19 97.97 1xwf n GLY 148 Ca -0.01 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 1xwf n GLY 148 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xwf s ILE 149 N -3.34 5.01 0.02 -0.61 1.01 0.17 -4.43 121.20 119.01 1xwf s ILE 149 Ca -0.00 1.36 -0.07 0.00 0.00 0.00 0.00 60.65 61.94 1xwf s ILE 149 Cb 0.12 -4.01 -0.30 0.00 0.01 0.00 0.00 42.46 38.27 1xwf s ILE 149 CO 0.81 0.15 0.91 -0.09 0.00 0.00 0.00 174.94 176.72 1xwf h ARG 150 N 7.17 0.33 -2.98 2.79 2.43 -0.17 -3.47 114.38 120.48 1xwf h ARG 150 Ca -0.35 -0.56 0.06 0.00 -0.81 0.00 0.00 59.98 58.32 1xwf h ARG 150 Cb 1.16 0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.86 1xwf h ARG 150 CO 0.78 1.23 0.23 0.20 -1.51 0.00 0.00 179.97 180.90 1xwf s GLY 151 N -4.85 -0.15 -0.02 2.80 0.00 -1.24 -4.32 107.32 99.54 1xwf s GLY 151 Ca -0.09 -0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.44 1xwf s GLY 151 CO 0.88 -0.06 -0.07 -0.42 0.00 0.00 0.00 173.10 173.43 1xwf s ILE 152 N -3.89 0.58 -0.26 0.90 1.01 -0.60 -0.83 121.20 118.12 1xwf s ILE 152 Ca 0.10 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.49 1xwf s ILE 152 Cb -0.05 -0.52 0.07 0.00 0.01 0.00 0.00 42.46 41.97 1xwf s ILE 152 CO 0.05 0.18 -0.01 -0.94 0.00 0.00 0.00 174.94 174.22 1xwf s SER 153 N 0.12 3.93 0.04 3.58 1.04 -0.38 -0.73 113.70 121.30 1xwf s SER 153 Ca -0.01 -1.36 -0.02 0.00 0.48 0.00 0.00 55.95 55.04 1xwf s SER 153 Cb -0.06 -1.14 -0.04 0.00 0.10 0.00 0.00 66.02 64.88 1xwf s SER 153 CO -0.00 -0.29 0.22 -1.61 0.98 0.00 0.00 173.24 172.54 1xwf s GLU 154 N 1.40 3.47 0.00 4.02 0.41 -1.20 -1.81 118.70 125.00 1xwf s GLU 154 Ca -0.01 -0.33 0.00 0.00 -0.41 0.00 0.00 54.97 54.23 1xwf s GLU 154 Cb -0.18 -3.04 0.00 0.00 -1.78 0.00 0.00 34.13 29.12 1xwf s GLU 154 CO -0.10 0.62 0.47 -1.91 -0.49 0.00 0.00 175.26 173.86 1xwf n GLU 155 N 0.58 0.35 -5.23 1.61 2.13 -1.17 -1.80 120.64 117.11 1xwf n GLU 155 Ca -0.07 -0.58 -0.31 0.00 0.66 0.00 0.00 57.16 56.85 1xwf n GLU 155 Cb 0.52 -0.76 -0.16 0.00 0.27 0.00 0.00 31.44 31.31 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 -0.22 2.07 0.21 6.31 -4.23 -1.26 -4.49 115.64 114.03 1xwf s THR 156 Ca 0.00 -1.16 -0.16 0.00 -1.18 0.00 0.00 61.69 59.19 1xwf s THR 156 Cb 0.00 -1.73 0.22 0.00 1.34 0.00 0.00 72.50 72.33 1xwf s THR 156 CO 0.00 0.54 1.60 0.74 -0.54 0.00 0.00 174.62 176.96 1xwf h THR 157 N 4.44 0.23 0.00 3.99 2.02 -1.97 0.63 112.91 122.25 1xwf h THR 157 Ca -0.44 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 1xwf h THR 157 Cb 1.12 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1xwf h THR 157 CO 0.46 0.00 -0.33 0.71 0.37 0.00 0.00 175.52 176.73 1xwf h THR 158 N -0.07 1.21 0.08 3.16 1.35 -1.96 0.35 112.91 117.04 1xwf h THR 158 Ca 0.30 -1.15 -0.12 0.00 -0.55 0.00 0.00 66.41 64.89 1xwf h THR 158 Cb 0.54 1.62 0.01 0.00 -1.73 0.00 0.00 68.15 68.59 1xwf h THR 158 CO -0.72 0.32 -0.52 1.23 -0.25 0.00 0.00 175.52 175.59 1xwf h GLY 159 N 1.03 0.24 0.59 5.82 0.00 -1.07 -3.11 103.07 106.57 1xwf h GLY 159 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1xwf h GLY 159 CO 0.04 0.50 -0.34 -2.08 0.00 0.00 0.00 176.54 174.66 1xwf h VAL 160 N -0.55 0.29 -0.37 4.60 2.07 0.31 -2.02 116.25 120.59 1xwf h VAL 160 Ca -0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1xwf h VAL 160 Cb 1.39 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.36 1xwf h VAL 160 CO 0.10 0.00 -0.50 -0.74 0.02 0.00 0.00 177.57 176.45 1xwf h HIS 161 N -0.68 -1.49 -1.11 1.57 6.17 -1.07 0.14 115.15 118.68 1xwf h HIS 161 Ca -0.01 0.07 0.31 0.00 0.71 0.00 0.00 60.37 61.45 1xwf h HIS 161 Cb 0.63 0.70 -0.09 0.00 2.52 0.00 0.00 27.41 31.18 1xwf h HIS 161 CO -0.22 -0.48 0.73 -0.97 0.71 0.00 0.00 177.93 177.70 1xwf h ASN 162 N -0.40 0.33 -0.17 3.26 -1.24 -1.43 0.40 115.58 116.33 1xwf h ASN 162 Ca 0.10 0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.15 1xwf h ASN 162 Cb 0.61 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.68 1xwf h ASN 162 CO -0.56 0.03 -0.02 -0.07 -1.29 0.00 0.00 177.43 175.51 1xwf h LEU 163 N 0.27 0.31 -1.36 0.34 3.38 0.00 -0.20 115.31 118.05 1xwf h LEU 163 Ca 0.62 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 58.31 1xwf h LEU 163 Cb 1.81 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 42.43 1xwf h LEU 163 CO -0.26 0.58 0.49 1.88 0.09 0.00 0.00 178.44 181.23 1xwf h TYR 164 N 0.03 0.78 0.21 1.13 0.05 0.61 -0.39 116.97 119.39 1xwf h TYR 164 Ca 0.04 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 1xwf h TYR 164 Cb 0.44 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1xwf h TYR 164 CO 0.05 0.40 -0.10 -0.22 -1.05 0.00 0.00 178.16 177.24 1xwf h LYS 165 N 0.76 -0.27 -0.94 4.88 3.64 -0.66 0.19 116.57 124.17 1xwf h LYS 165 Ca 0.33 0.02 0.26 0.00 -1.27 0.00 0.00 60.65 59.98 1xwf h LYS 165 Cb 0.29 0.06 -0.17 0.00 -0.41 0.00 0.00 32.23 32.00 1xwf h LYS 165 CO -0.11 -0.18 0.07 0.52 -2.27 0.00 0.00 179.45 177.48 1xwf h MET 166 N -0.41 0.05 -0.59 1.90 2.86 -0.95 1.05 114.93 118.84 1xwf h MET 166 Ca -0.03 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 1xwf h MET 166 Cb 0.22 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1xwf h MET 166 CO 0.05 0.03 0.15 1.98 1.06 0.00 0.00 176.91 180.18 1xwf h MET 167 N 0.05 0.94 -0.05 1.72 1.85 -1.08 0.78 114.93 119.15 1xwf h MET 167 Ca 0.58 -0.23 -0.05 0.00 -0.61 0.00 0.00 59.70 59.39 1xwf h MET 167 Cb 1.18 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 33.08 1xwf h MET 167 CO -0.85 0.87 -0.21 0.00 -0.40 0.00 0.00 176.91 176.32 1xwf h ALA 168 N 1.03 1.56 -0.67 0.39 0.00 0.41 -2.53 119.26 119.46 1xwf h ALA 168 Ca 0.19 -0.22 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 1xwf h ALA 168 Cb 0.35 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 17.93 1xwf h ALA 168 CO 0.00 0.32 0.26 0.09 0.00 0.00 0.00 179.25 179.93 1xwf n ASN 169 N -4.26 3.98 -3.83 0.00 3.02 0.14 -4.95 115.26 109.36 1xwf n ASN 169 Ca -0.02 -3.41 -0.30 0.00 -0.03 0.00 0.00 54.58 50.82 1xwf n ASN 169 Cb 0.29 -0.72 0.01 0.00 -0.61 0.00 0.00 39.78 38.75 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 -0.64 -0.49 0.07 7.41 0.00 -0.61 -4.84 105.19 106.09 1xwf n GLY 170 Ca 0.42 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.51 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 -4.46 0.88 -1.68 -0.61 5.41 0.26 -4.95 119.36 114.22 1xwf n ILE 171 Ca 0.03 -0.42 -0.46 0.00 1.00 0.00 0.00 62.75 62.90 1xwf n ILE 171 Cb 0.52 -0.89 -0.04 0.00 -0.71 0.00 0.00 39.64 38.52 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 -2.74 3.60 -0.30 1.39 7.94 -0.93 -4.83 117.00 121.13 1xwf n LEU 172 Ca -0.25 0.97 0.05 0.00 -1.11 0.00 0.00 56.01 55.68 1xwf n LEU 172 Cb 0.84 -1.42 0.11 0.00 0.53 0.00 0.00 43.42 43.48 1xwf n LEU 172 CO 0.20 -0.01 0.58 0.29 -1.11 0.00 0.00 177.39 177.34 1xwf n LYS 173 N 6.40 2.53 -3.84 1.96 5.02 -1.26 -4.84 118.16 124.13 1xwf n LYS 173 Ca 0.21 -2.11 -0.12 0.00 -2.02 0.00 0.00 58.31 54.28 1xwf n LYS 173 Cb 0.32 -1.32 -0.12 0.00 -0.02 0.00 0.00 35.03 33.89 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 -1.76 0.02 0.34 -0.18 1.01 -1.26 -4.85 120.40 113.72 1xwf s VAL 174 Ca 0.20 -0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.74 1xwf s VAL 174 Cb 0.15 -0.25 -0.09 0.00 0.00 0.00 0.00 36.38 36.19 1xwf s VAL 174 CO 0.06 -0.10 1.12 -2.16 0.00 0.00 0.00 175.10 174.02 1xwf s PRO 175 N -0.28 4.35 0.14 2.72 0.04 -1.26 -4.22 135.00 136.49 1xwf s PRO 175 Ca -0.04 1.76 0.07 0.00 0.04 0.00 0.00 61.00 62.84 1xwf s PRO 175 Cb -0.03 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 1xwf s PRO 175 CO 0.00 -0.04 -0.16 0.00 0.04 0.00 0.00 177.00 176.85 1xwf s ALA 176 N -1.35 1.72 -0.27 8.56 0.00 0.65 -1.56 121.76 129.51 1xwf s ALA 176 Ca 0.51 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1xwf s ALA 176 Cb -0.30 -0.13 0.06 0.00 0.00 0.00 0.00 23.12 22.76 1xwf s ALA 176 CO 0.38 0.17 -0.08 0.42 0.00 0.00 0.00 175.76 176.65 1xwf s ILE 177 N -2.05 2.32 -0.93 0.00 1.01 0.09 0.11 121.20 121.75 1xwf s ILE 177 Ca 0.12 -1.65 -0.24 0.00 0.00 0.00 0.00 60.65 58.87 1xwf s ILE 177 Cb -0.05 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1xwf s ILE 177 CO 0.05 -0.09 1.88 0.21 0.00 0.00 0.00 174.94 176.99 1xwf s ASN 178 N 1.12 5.32 0.31 3.58 2.47 0.67 -3.27 114.94 125.14 1xwf s ASN 178 Ca -0.07 -0.82 0.07 0.00 0.42 0.00 0.00 52.86 52.46 1xwf s ASN 178 Cb -0.20 -2.56 0.52 0.00 -1.45 0.00 0.00 41.25 37.56 1xwf s ASN 178 CO -0.05 -2.60 1.75 0.58 -3.72 0.00 0.00 177.10 173.07 1xwf h VAL 179 N 7.15 1.28 -0.41 -5.21 2.07 -1.61 -3.20 116.25 116.31 1xwf h VAL 179 Ca 0.12 -1.32 0.12 0.00 0.82 0.00 0.00 66.70 66.43 1xwf h VAL 179 Cb 1.00 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1xwf h VAL 179 CO 1.24 0.40 0.32 -1.13 0.02 0.00 0.00 177.57 178.42 1xwf h ASN 180 N 0.23 0.00 -0.27 0.57 -1.24 -1.78 -2.37 115.58 110.73 1xwf h ASN 180 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1xwf h ASN 180 Cb 0.70 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.75 1xwf h ASN 180 CO 0.05 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.66 1xwf n ASP 181 N -4.24 2.99 -4.85 1.15 10.43 -1.21 -3.26 116.55 117.56 1xwf n ASP 181 Ca 0.07 -2.37 -0.32 0.00 2.57 0.00 0.00 54.79 54.74 1xwf n ASP 181 Cb 0.52 -0.54 -0.02 0.00 1.84 0.00 0.00 41.12 42.91 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 -0.44 6.49 -0.00 -2.24 0.01 -0.89 -4.88 113.70 111.74 1xwf s SER 182 Ca 0.25 1.55 -0.24 0.00 1.31 0.00 0.00 55.95 58.82 1xwf s SER 182 Cb 0.18 -2.50 -0.14 0.00 0.21 0.00 0.00 66.02 63.77 1xwf s SER 182 CO 0.08 -0.68 1.02 0.58 0.41 0.00 0.00 173.24 174.65 1xwf h VAL 183 N 0.62 0.17 0.00 3.43 2.07 -1.91 0.49 116.25 121.11 1xwf h VAL 183 Ca -0.46 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1xwf h VAL 183 Cb 1.19 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1xwf h VAL 183 CO 0.61 0.03 0.15 0.35 0.02 0.00 0.00 177.57 178.73 1xwf n THR 184 N -5.28 1.02 -0.11 2.57 -2.24 -1.26 -1.17 114.28 107.81 1xwf n THR 184 Ca -0.10 0.67 -0.16 0.00 -2.27 0.00 0.00 64.05 62.19 1xwf n THR 184 Cb 0.32 -1.67 -0.10 0.00 -2.10 0.00 0.00 70.33 66.78 1xwf n THR 184 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1xwf n ASN 185 N -1.92 2.23 0.50 3.42 2.85 -1.15 -4.01 115.26 117.19 1xwf n ASN 185 Ca -0.01 -0.07 -0.21 0.00 -0.11 0.00 0.00 54.58 54.18 1xwf n ASN 185 Cb 0.17 -0.38 -0.10 0.00 1.24 0.00 0.00 39.78 40.71 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 -0.09 -1.19 -0.45 1.20 0.87 -0.11 -1.35 113.55 112.43 1xwf h SER 186 Ca -0.50 0.05 0.08 0.00 -1.23 0.00 0.00 61.79 60.20 1xwf h SER 186 Cb 1.73 0.32 -0.07 0.00 -0.44 0.00 0.00 62.40 63.94 1xwf h SER 186 CO -0.11 -0.80 0.01 0.11 -0.53 0.00 0.00 176.83 175.51 1xwf h LYS 187 N -1.31 0.12 0.10 2.24 1.79 -1.36 0.14 116.57 118.28 1xwf h LYS 187 Ca -0.13 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1xwf h LYS 187 Cb 1.02 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1xwf h LYS 187 CO 0.19 0.08 -0.05 0.74 -1.08 0.00 0.00 179.45 179.33 1xwf h PHE 188 N 0.13 -0.13 0.00 -1.35 -1.00 -1.69 0.63 116.94 113.53 1xwf h PHE 188 Ca 0.23 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.97 1xwf h PHE 188 Cb 0.33 0.04 -0.00 0.00 3.61 0.00 0.00 35.95 39.92 1xwf h PHE 188 CO -0.28 0.39 -0.14 0.22 -1.61 0.00 0.00 178.31 176.89 1xwf h ASP 189 N -0.81 0.00 0.00 2.17 -0.00 -1.25 0.46 116.42 116.99 1xwf h ASP 189 Ca -0.01 0.00 -0.46 0.00 -0.00 0.00 0.00 57.03 56.56 1xwf h ASP 189 Cb 0.57 0.00 -0.07 0.00 -0.00 0.00 0.00 39.33 39.83 1xwf h ASP 189 CO 0.02 0.14 -2.52 0.59 -0.00 0.00 0.00 179.24 177.47 1xwf n ASN 190 N -4.14 1.96 -0.02 2.28 5.03 0.47 -4.49 115.26 116.35 1xwf n ASN 190 Ca -0.02 0.34 -0.01 0.00 0.87 0.00 0.00 54.58 55.76 1xwf n ASN 190 Cb 0.22 -0.82 -0.00 0.00 -1.02 0.00 0.00 39.78 38.16 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 -1.59 3.41 6.46 0.11 -3.22 115.31 119.48 1xwf h LEU 191 Ca -0.69 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.03 1xwf h LEU 191 Cb 1.60 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.53 1xwf h LEU 191 CO -0.42 0.18 -0.20 1.88 -0.62 0.00 0.00 178.44 179.27 1xwf h TYR 192 N -0.26 0.01 0.24 1.25 0.05 -1.36 -1.42 116.97 115.47 1xwf h TYR 192 Ca 0.00 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1xwf h TYR 192 Cb 0.11 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.85 1xwf h TYR 192 CO -0.05 0.21 -0.12 0.78 -1.05 0.00 0.00 178.16 177.93 1xwf h GLY 193 N 0.61 -0.34 2.00 3.88 0.00 -0.27 -2.41 103.07 106.53 1xwf h GLY 193 Ca -0.00 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1xwf h GLY 193 CO 0.03 -0.13 -0.08 0.00 0.00 0.00 0.00 176.54 176.36 1xwf h ARG 195 N 0.00 1.08 -0.01 0.00 2.43 -1.18 0.53 114.38 117.24 1xwf h ARG 195 Ca -0.00 -0.20 -0.13 0.00 -0.81 0.00 0.00 59.98 58.83 1xwf h ARG 195 Cb 0.16 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1xwf h ARG 195 CO 0.01 0.89 -0.63 0.93 -1.51 0.00 0.00 179.97 179.67 1xwf h GLU 196 N 1.04 0.03 -0.05 0.20 4.39 -0.95 -3.36 114.58 115.87 1xwf h GLU 196 Ca 0.24 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1xwf h GLU 196 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1xwf h GLU 196 CO -0.02 0.65 0.00 -1.13 -1.16 0.00 0.00 179.01 177.35 1xwf n SER 197 N -3.80 2.29 -0.01 1.42 3.41 -1.06 -4.51 113.62 111.37 1xwf n SER 197 Ca -0.01 -2.31 -0.11 0.00 -0.26 0.00 0.00 58.87 56.18 1xwf n SER 197 Cb 0.62 -0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.33 -0.08 -1.29 1.04 5.85 -1.05 -3.09 115.31 117.02 1xwf h LEU 198 Ca 0.00 -0.54 -0.05 0.00 0.84 0.00 0.00 57.88 58.13 1xwf h LEU 198 Cb 0.69 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1xwf h LEU 198 CO 0.01 0.60 -0.06 0.40 -0.34 0.00 0.00 178.44 179.05 1xwf h ILE 199 N -0.87 1.19 -0.23 4.05 5.03 -1.83 -2.36 117.51 122.49 1xwf h ILE 199 Ca -0.01 -0.79 0.02 0.00 -0.12 0.00 0.00 64.86 63.96 1xwf h ILE 199 Cb 0.61 1.07 -0.02 0.00 -3.03 0.00 0.00 36.82 35.45 1xwf h ILE 199 CO 0.02 0.26 0.09 -0.78 -0.68 0.00 0.00 178.15 177.05 1xwf h ASP 200 N 0.38 0.11 -0.40 1.72 3.58 -1.79 0.53 116.42 120.54 1xwf h ASP 200 Ca 0.08 0.02 0.07 0.00 0.42 0.00 0.00 57.03 57.62 1xwf h ASP 200 Cb 0.36 0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.35 1xwf h ASP 200 CO 0.02 0.09 0.05 1.23 -2.88 0.00 0.00 179.24 177.75 1xwf h GLY 201 N 0.20 0.45 1.48 -0.78 0.00 -1.38 -0.83 103.07 102.21 1xwf h GLY 201 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 1xwf h GLY 201 CO -0.10 -0.06 -0.15 -2.22 0.00 0.00 0.00 176.54 174.02 1xwf h ILE 202 N 0.17 1.25 0.62 2.60 2.04 -0.81 -2.12 117.51 121.26 1xwf h ILE 202 Ca 0.20 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1xwf h ILE 202 Cb 0.26 1.14 0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1xwf h ILE 202 CO -0.29 0.38 -0.30 0.11 0.00 0.00 0.00 178.15 178.06 1xwf h LYS 203 N 0.56 -0.80 -0.30 2.37 1.79 0.72 0.85 116.57 121.76 1xwf h LYS 203 Ca 0.10 0.05 0.07 0.00 -2.18 0.00 0.00 60.65 58.69 1xwf h LYS 203 Cb 0.58 0.18 -0.08 0.00 -1.58 0.00 0.00 32.23 31.33 1xwf h LYS 203 CO 0.04 -0.50 -0.26 0.00 -1.08 0.00 0.00 179.45 177.65 1xwf h ARG 204 N -1.16 -0.23 0.03 3.15 3.08 -1.23 3.53 114.38 121.55 1xwf h ARG 204 Ca -0.08 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1xwf h ARG 204 Cb 0.67 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 1xwf h ARG 204 CO 0.14 -0.15 -0.03 0.00 -1.07 0.00 0.00 179.97 178.86 1xwf h ALA 205 N 0.83 -0.78 0.00 0.04 0.00 -1.39 -3.36 119.26 114.59 1xwf h ALA 205 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xwf h ALA 205 Cb 0.48 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1xwf h ALA 205 CO -0.43 -0.78 -1.58 0.25 0.00 0.00 0.00 179.25 176.70 1xwf n THR 206 N -2.44 0.14 -1.39 0.00 -2.24 0.28 -4.96 114.28 103.67 1xwf n THR 206 Ca -0.01 -0.43 -0.15 0.00 -2.27 0.00 0.00 64.05 61.20 1xwf n THR 206 Cb 0.03 0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.23 -4.85 -4.79 3.42 8.00 1.17 -4.91 116.55 112.36 1xwf n ASP 207 Ca -0.02 0.36 -0.31 0.00 0.71 0.00 0.00 54.79 55.54 1xwf n ASP 207 Cb 0.53 -4.04 0.08 0.00 -0.02 0.00 0.00 41.12 37.67 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 -2.20 3.49 -0.19 2.53 0.11 -1.26 -5.01 120.40 117.87 1xwf s VAL 208 Ca 0.00 0.49 -0.20 0.00 -2.93 0.00 0.00 61.98 59.34 1xwf s VAL 208 Cb 0.00 -3.10 -0.03 0.00 -1.53 0.00 0.00 36.38 31.72 1xwf s VAL 208 CO 0.00 -0.63 0.58 -0.32 -3.33 0.00 0.00 175.10 171.40 1xwf s MET 209 N -4.99 4.23 0.04 1.54 1.75 -1.26 -4.85 119.30 115.76 1xwf s MET 209 Ca 0.60 0.55 -0.16 0.00 -1.25 0.00 0.00 55.69 55.43 1xwf s MET 209 Cb -0.16 -3.55 -0.30 0.00 2.84 0.00 0.00 34.83 33.66 1xwf s MET 209 CO 0.56 -0.16 1.08 0.82 -0.65 0.00 0.00 175.02 176.66 1xwf h ILE 210 N 5.10 1.30 -4.05 10.11 1.08 -1.95 -3.45 117.51 125.66 1xwf h ILE 210 Ca -0.33 -2.46 -0.56 0.00 -0.39 0.00 0.00 64.86 61.11 1xwf h ILE 210 Cb 1.15 2.75 0.16 0.00 -3.07 0.00 0.00 36.82 37.81 1xwf h ILE 210 CO 0.76 0.75 0.49 0.00 -0.69 0.00 0.00 178.15 179.46 1xwf n ALA 211 N -2.68 1.12 -0.53 1.87 0.00 -1.25 -2.57 120.51 116.48 1xwf n ALA 211 Ca -0.14 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1xwf n ALA 211 Cb 0.97 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1xwf n ALA 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwf n GLY 212 N 0.94 1.08 3.94 0.00 0.00 -0.60 -4.85 105.19 105.69 1xwf n GLY 212 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.24 3.49 -0.33 1.61 1.02 -1.06 -4.86 119.74 119.38 1xwf s LYS 213 Ca 0.00 -0.43 -0.15 0.00 0.02 0.00 0.00 55.97 55.41 1xwf s LYS 213 Cb 0.00 -2.82 -0.02 0.00 -0.52 0.00 0.00 37.83 34.48 1xwf s LYS 213 CO 0.00 0.36 0.37 0.08 -0.92 0.00 0.00 175.35 175.24 1xwf s VAL 214 N -1.98 5.16 -0.20 3.17 1.01 -1.26 0.41 120.40 126.71 1xwf s VAL 214 Ca 0.38 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 1xwf s VAL 214 Cb -0.10 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1xwf s VAL 214 CO 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.37 1xwf s ALA 215 N 2.05 3.05 -0.22 5.51 0.00 -0.15 0.52 121.76 132.53 1xwf s ALA 215 Ca 0.13 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 50.98 1xwf s ALA 215 Cb -0.16 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 1xwf s ALA 215 CO 0.11 -0.13 0.27 0.08 0.00 0.00 0.00 175.76 176.09 1xwf s VAL 216 N 0.96 5.29 -0.21 0.00 1.01 -0.06 -0.81 120.40 126.58 1xwf s VAL 216 Ca 0.02 0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.44 1xwf s VAL 216 Cb -0.14 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.67 1xwf s VAL 216 CO 0.02 0.31 -0.13 -0.69 0.00 0.00 0.00 175.10 174.60 1xwf s VAL 217 N 1.13 1.93 -0.36 2.92 1.01 -0.09 -1.29 120.40 125.65 1xwf s VAL 217 Ca 0.13 -1.18 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 1xwf s VAL 217 Cb -0.14 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1xwf s VAL 217 CO 0.06 0.22 0.65 0.00 0.00 0.00 0.00 175.10 176.03 1xwf s ALA 218 N 1.27 3.45 0.00 5.51 0.00 -0.64 -2.46 121.76 128.90 1xwf s ALA 218 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1xwf s ALA 218 Cb -0.16 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1xwf s ALA 218 CO -0.09 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.71 1xwf n GLY 219 N 4.68 1.85 2.07 0.00 0.00 0.56 -1.28 105.19 113.07 1xwf n GLY 219 Ca -0.01 -1.21 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 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 2.35 2.78 0.00 1.61 9.36 -1.26 -4.10 117.16 127.89 1xwf n TYR 220 Ca 0.00 -2.43 0.00 0.00 3.32 0.00 0.00 57.90 58.79 1xwf n TYR 220 Cb 0.00 -1.00 0.00 0.00 -0.63 0.00 0.00 39.34 37.71 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 -0.70 0.14 2.98 0.00 -1.26 -4.47 105.19 100.91 1xwf n GLY 221 Ca 0.54 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.21 -0.37 1.61 3.32 -1.93 0.22 116.42 119.06 1xwf h ASP 222 Ca 0.00 -0.22 0.05 0.00 0.02 0.00 0.00 57.03 56.87 1xwf h ASP 222 Cb 0.00 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1xwf h ASP 222 CO 0.00 0.12 0.12 0.58 -1.72 0.00 0.00 179.24 178.34 1xwf h VAL 223 N -0.56 0.87 -0.62 -1.35 2.07 -1.88 -0.56 116.25 114.22 1xwf h VAL 223 Ca -0.02 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1xwf h VAL 223 Cb 0.42 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1xwf h VAL 223 CO 0.04 0.05 0.23 1.23 0.02 0.00 0.00 177.57 179.14 1xwf h GLY 224 N 0.26 0.99 0.95 2.17 0.00 -1.70 -1.51 103.07 104.22 1xwf h GLY 224 Ca 0.17 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1xwf h GLY 224 CO -0.19 0.50 0.03 0.50 0.00 0.00 0.00 176.54 177.38 1xwf h LYS 225 N 0.90 0.08 -0.43 4.80 1.57 0.21 -0.77 116.57 122.93 1xwf h LYS 225 Ca 0.21 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1xwf h LYS 225 Cb 0.21 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1xwf h LYS 225 CO -0.02 0.11 0.11 0.78 -0.57 0.00 0.00 179.45 179.87 1xwf h GLY 226 N 0.02 0.67 1.08 3.86 0.00 -0.72 -1.59 103.07 106.40 1xwf h GLY 226 Ca 0.02 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 1xwf h GLY 226 CO -0.00 0.33 -0.38 0.00 0.00 0.00 0.00 176.54 176.49 1xwf h ALA 228 N 0.74 1.37 0.06 0.00 0.00 -0.78 0.17 119.26 120.82 1xwf h ALA 228 Ca 0.05 -0.30 -0.26 0.00 0.00 0.00 0.00 54.91 54.41 1xwf h ALA 228 Cb 0.97 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1xwf h ALA 228 CO 0.09 0.44 -1.25 0.37 0.00 0.00 0.00 179.25 178.91 1xwf h GLN 229 N 0.16 0.13 -0.22 0.00 4.15 -1.22 -2.49 115.11 115.61 1xwf h GLN 229 Ca 0.02 -0.23 -0.06 0.00 0.77 0.00 0.00 58.65 59.16 1xwf h GLN 229 Cb 0.57 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 1xwf h GLN 229 CO 0.04 1.04 -0.10 0.00 -1.93 0.00 0.00 178.83 177.88 1xwf h ALA 230 N 0.77 0.31 -0.17 3.38 0.00 -0.40 -2.25 119.26 120.90 1xwf h ALA 230 Ca -0.12 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1xwf h ALA 230 Cb 1.90 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1xwf h ALA 230 CO 0.15 0.15 -0.38 -0.07 0.00 0.00 0.00 179.25 179.11 1xwf h LEU 231 N 0.18 0.40 -0.39 0.00 3.38 -0.78 -3.09 115.31 115.00 1xwf h LEU 231 Ca 0.05 -0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.68 1xwf h LEU 231 Cb 0.59 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1xwf h LEU 231 CO 0.03 0.74 -0.80 -0.09 0.09 0.00 0.00 178.44 178.41 1xwf h ARG 232 N 0.32 0.20 0.00 1.13 2.43 -1.41 -2.81 114.38 114.23 1xwf h ARG 232 Ca 0.03 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1xwf h ARG 232 Cb 0.81 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1xwf h ARG 232 CO 0.07 0.89 -0.02 0.78 -1.51 0.00 0.00 179.97 180.17 1xwf h GLY 233 N 1.78 0.00 1.38 2.80 0.00 -1.32 -1.53 103.07 106.18 1xwf h GLY 233 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1xwf h GLY 233 CO 0.12 0.00 -0.48 0.74 0.00 0.00 0.00 176.54 176.93 1xwf h PHE 234 N 0.00 0.00 0.00 5.60 0.04 -1.56 -3.48 116.94 117.55 1xwf h PHE 234 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xwf h PHE 234 Cb 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1xwf h PHE 234 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1xwf n GLY 235 N 1.31 1.21 3.92 -1.45 0.00 -0.58 -3.75 105.19 105.85 1xwf n GLY 235 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 3.43 -0.39 4.61 0.00 -1.08 -1.56 121.76 124.77 1xwf s ALA 236 Ca 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 51.96 51.19 1xwf s ALA 236 Cb 0.00 -2.52 0.02 0.00 0.00 0.00 0.00 23.12 20.63 1xwf s ALA 236 CO 0.00 -0.46 0.26 0.50 0.00 0.00 0.00 175.76 176.06 1xwf s ARG 237 N -4.77 2.91 0.10 0.00 3.52 0.16 -4.56 118.95 116.32 1xwf s ARG 237 Ca 0.49 -1.04 -0.18 0.00 -0.13 0.00 0.00 55.73 54.86 1xwf s ARG 237 Cb -0.10 -3.87 -0.07 0.00 -1.56 0.00 0.00 34.95 29.35 1xwf s ARG 237 CO 0.44 -0.73 0.57 0.08 -0.81 0.00 0.00 175.30 174.85 1xwf s VAL 238 N 1.63 4.76 -0.04 7.11 1.01 -1.26 -0.98 120.40 132.62 1xwf s VAL 238 Ca 0.04 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.19 1xwf s VAL 238 Cb -0.19 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 1xwf s VAL 238 CO 0.09 0.46 -0.19 -0.63 0.00 0.00 0.00 175.10 174.83 1xwf s ILE 239 N -1.22 1.54 0.01 2.22 1.01 0.01 -3.70 121.20 121.08 1xwf s ILE 239 Ca 0.32 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 60.27 1xwf s ILE 239 Cb -0.18 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 1xwf s ILE 239 CO 0.19 0.44 -0.23 -0.63 0.00 0.00 0.00 174.94 174.71 1xwf s ILE 240 N -0.01 2.40 -0.01 2.92 1.01 0.28 -0.91 121.20 126.88 1xwf s ILE 240 Ca -0.03 -1.18 0.06 0.00 0.00 0.00 0.00 60.65 59.49 1xwf s ILE 240 Cb -0.12 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1xwf s ILE 240 CO 0.02 0.45 -0.18 0.42 0.00 0.00 0.00 174.94 175.65 1xwf s THR 241 N -0.77 2.78 0.07 2.92 -4.23 -1.03 -0.76 115.64 114.61 1xwf s THR 241 Ca 0.12 -0.98 -0.21 0.00 -1.18 0.00 0.00 61.69 59.45 1xwf s THR 241 Cb -0.10 -2.10 0.05 0.00 1.34 0.00 0.00 72.50 71.68 1xwf s THR 241 CO 0.02 0.49 0.49 -1.61 -0.54 0.00 0.00 174.62 173.46 1xwf s GLU 242 N -1.00 1.04 -0.06 3.99 0.41 -1.26 -0.33 118.70 121.49 1xwf s GLU 242 Ca 0.13 -0.35 0.11 0.00 -0.41 0.00 0.00 54.97 54.44 1xwf s GLU 242 Cb -0.10 0.47 -0.17 0.00 -1.78 0.00 0.00 34.13 32.55 1xwf s GLU 242 CO 0.02 -0.38 0.17 0.44 -0.49 0.00 0.00 175.26 175.02 1xwf n ILE 243 N 0.26 0.32 -3.09 -1.63 -5.35 -1.26 -4.93 119.36 103.69 1xwf n ILE 243 Ca -0.18 -0.36 -0.41 0.00 -0.27 0.00 0.00 62.75 61.53 1xwf n ILE 243 Cb 0.61 -0.17 -0.06 0.00 -1.74 0.00 0.00 39.64 38.28 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 -3.81 6.52 0.59 7.28 3.68 -1.26 -4.96 116.67 124.72 1xwf s ASP 244 Ca -0.05 0.45 0.30 0.00 2.13 0.00 0.00 52.55 55.38 1xwf s ASP 244 Cb 0.06 -2.34 1.79 0.00 -1.45 0.00 0.00 42.92 40.98 1xwf s ASP 244 CO 0.48 -0.50 2.20 1.55 0.13 0.00 0.00 175.17 179.04 1xwf h PRO 245 N 8.18 0.00 0.06 4.34 0.13 -1.99 -1.71 132.00 141.01 1xwf h PRO 245 Ca -0.26 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.60 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 0.81 0.00 -1.10 0.82 -0.23 0.00 0.00 178.00 178.30 1xwf h ILE 246 N 0.00 1.35 -0.35 -3.56 2.04 -1.99 -2.54 117.51 112.45 1xwf h ILE 246 Ca 0.03 -2.49 -0.11 0.00 1.00 0.00 0.00 64.86 63.30 1xwf h ILE 246 Cb 0.18 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 1xwf h ILE 246 CO -0.00 0.75 -0.20 0.78 0.00 0.00 0.00 178.15 179.48 1xwf h ASN 247 N 0.26 0.78 -0.46 1.72 2.35 -1.79 -1.32 115.58 117.12 1xwf h ASN 247 Ca -0.13 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 1xwf h ASN 247 Cb 1.76 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.89 1xwf h ASN 247 CO 0.20 1.03 0.29 0.00 -1.65 0.00 0.00 177.43 177.31 1xwf h ALA 248 N 0.78 1.65 -0.05 -0.83 0.00 -1.36 0.12 119.26 119.55 1xwf h ALA 248 Ca 0.07 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 1xwf h ALA 248 Cb 0.75 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1xwf h ALA 248 CO 0.06 0.32 -0.94 1.25 0.00 0.00 0.00 179.25 179.94 1xwf h LEU 249 N 0.63 0.87 -0.16 0.00 5.85 -1.35 -1.83 115.31 119.32 1xwf h LEU 249 Ca 0.17 -0.65 0.04 0.00 0.84 0.00 0.00 57.88 58.28 1xwf h LEU 249 Cb -0.05 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.67 1xwf h LEU 249 CO -0.03 1.45 -0.13 1.56 -0.34 0.00 0.00 178.44 180.95 1xwf h GLN 250 N 0.42 -0.13 0.37 1.25 4.20 -0.04 -1.57 115.11 119.62 1xwf h GLN 250 Ca -0.10 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1xwf h GLN 250 Cb 1.58 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.36 1xwf h GLN 250 CO 0.18 -0.09 -0.41 0.00 -0.67 0.00 0.00 178.83 177.84 1xwf h ALA 251 N 0.97 -0.88 -0.37 3.87 0.00 -0.75 -2.46 119.26 119.63 1xwf h ALA 251 Ca 0.10 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1xwf h ALA 251 Cb 0.28 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1xwf h ALA 251 CO -0.24 -1.04 0.47 0.00 0.00 0.00 0.00 179.25 178.44 1xwf h ALA 252 N -0.45 2.04 -0.00 0.00 0.00 -0.99 0.13 119.26 119.99 1xwf h ALA 252 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xwf h ALA 252 Cb 0.74 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1xwf h ALA 252 CO -0.09 -0.66 -0.11 -1.33 0.00 0.00 0.00 179.25 177.06 1xwf n MET 253 N -3.56 0.59 -0.05 0.00 2.00 -0.62 -3.05 117.12 112.43 1xwf n MET 253 Ca 0.07 -0.18 0.07 0.00 0.00 0.00 0.00 57.70 57.65 1xwf n MET 253 Cb 0.63 -1.50 0.09 0.00 0.00 0.00 0.00 33.22 32.44 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 -1.05 1.33 -0.20 0.03 -0.58 0.46 -4.98 120.64 115.65 1xwf n GLU 254 Ca 0.14 -1.51 0.00 0.00 -0.42 0.00 0.00 57.16 55.37 1xwf n GLU 254 Cb 0.28 -1.28 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 0.77 0.61 3.88 0.62 0.00 -1.17 -5.08 105.19 104.82 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 -2.42 3.28 -0.18 1.61 2.02 -1.20 -5.01 117.35 115.45 1xwf s TYR 256 Ca 0.00 1.04 -0.05 0.00 -0.37 0.00 0.00 57.07 57.69 1xwf s TYR 256 Cb 0.00 -3.09 -0.03 0.00 -0.40 0.00 0.00 41.96 38.44 1xwf s TYR 256 CO 0.00 -1.23 0.01 -2.00 -1.57 0.00 0.00 175.55 170.76 1xwf s GLU 257 N -5.36 3.75 -0.19 -0.62 2.12 -1.24 -4.31 118.70 112.86 1xwf s GLU 257 Ca 0.58 -0.46 -0.07 0.00 0.36 0.00 0.00 54.97 55.39 1xwf s GLU 257 Cb -0.11 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 1xwf s GLU 257 CO 0.52 0.16 0.04 0.08 -0.54 0.00 0.00 175.26 175.52 1xwf s VAL 258 N 0.62 4.49 0.37 3.70 1.01 -1.25 0.10 120.40 129.43 1xwf s VAL 258 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 61.98 61.75 1xwf s VAL 258 Cb -0.14 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.25 1xwf s VAL 258 CO 0.02 0.44 0.65 0.28 0.00 0.00 0.00 175.10 176.49 1xwf s THR 259 N 0.64 0.00 0.38 3.92 -1.32 0.06 -4.95 115.64 114.37 1xwf s THR 259 Ca 0.02 -1.27 -0.11 0.00 -1.21 0.00 0.00 61.69 59.12 1xwf s THR 259 Cb -0.13 -2.76 -0.07 0.00 -1.51 0.00 0.00 72.50 68.02 1xwf s THR 259 CO 0.02 0.00 0.75 0.42 -2.21 0.00 0.00 174.62 173.60 1xwf s THR 260 N -2.66 4.77 0.38 5.08 -4.23 -1.26 -3.85 115.64 113.86 1xwf s THR 260 Ca 0.22 0.68 0.08 0.00 -1.18 0.00 0.00 61.69 61.50 1xwf s THR 260 Cb -0.03 -3.70 0.30 0.00 1.34 0.00 0.00 72.50 70.41 1xwf s THR 260 CO 0.15 -0.43 1.96 -0.03 -0.54 0.00 0.00 174.62 175.73 1xwf h MET 261 N 1.52 0.64 0.29 3.99 4.05 -1.95 0.29 114.93 123.76 1xwf h MET 261 Ca -0.47 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 1xwf h MET 261 Cb 1.18 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.81 1xwf h MET 261 CO 0.64 0.42 -0.42 -0.44 0.23 0.00 0.00 176.91 177.35 1xwf h ASP 262 N 0.65 -1.18 -0.49 1.39 5.19 -1.93 0.87 116.42 120.93 1xwf h ASP 262 Ca 0.31 0.11 -0.11 0.00 -0.62 0.00 0.00 57.03 56.72 1xwf h ASP 262 Cb 0.37 0.41 -0.01 0.00 0.18 0.00 0.00 39.33 40.28 1xwf h ASP 262 CO -0.10 -0.53 -0.14 -0.33 -3.12 0.00 0.00 179.24 175.01 1xwf h GLU 263 N -0.76 0.96 -0.30 3.56 4.39 -1.81 -3.27 114.58 117.35 1xwf h GLU 263 Ca -0.01 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.30 1xwf h GLU 263 Cb 0.72 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1xwf h GLU 263 CO -0.14 1.05 0.16 0.00 -1.16 0.00 0.00 179.01 178.92 1xwf h ALA 264 N 0.89 0.39 -0.27 3.43 0.00 -0.12 -3.07 119.26 120.52 1xwf h ALA 264 Ca 0.12 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1xwf h ALA 264 Cb 0.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1xwf h ALA 264 CO 0.05 -0.08 0.74 0.00 0.00 0.00 0.00 179.25 179.97 1xwf h LYS 266 N 0.00 0.55 0.00 0.00 1.57 -1.71 -3.26 116.57 113.73 1xwf h LYS 266 Ca 0.13 -0.75 -0.04 0.00 -1.87 0.00 0.00 60.65 58.12 1xwf h LYS 266 Cb 1.61 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 34.16 1xwf h LYS 266 CO -0.00 1.33 -0.21 0.93 -0.57 0.00 0.00 179.45 180.93 1xwf h GLU 267 N 0.24 0.00 -5.46 3.15 5.08 -0.84 -3.41 114.58 113.35 1xwf h GLU 267 Ca -0.17 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.64 1xwf h GLU 267 Cb 1.89 0.00 0.17 0.00 0.50 0.00 0.00 28.75 31.31 1xwf h GLU 267 CO 0.23 0.97 -1.07 0.41 -1.00 0.00 0.00 179.01 178.54 1xwf n GLY 268 N 1.59 -2.98 0.00 -3.84 0.00 -0.92 -4.80 105.19 94.24 1xwf n GLY 268 Ca -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 2.31 4.59 -4.13 1.61 3.02 0.19 -4.43 115.26 118.42 1xwf n ASN 269 Ca 0.07 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.43 1xwf n ASN 269 Cb 0.43 0.48 -0.13 0.00 -0.61 0.00 0.00 39.78 39.95 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 -1.92 1.01 -0.11 2.41 1.01 -1.06 -1.59 121.20 120.96 1xwf s ILE 270 Ca 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.63 1xwf s ILE 270 Cb 0.00 -0.94 0.04 0.00 0.01 0.00 0.00 42.46 41.57 1xwf s ILE 270 CO 0.00 -0.05 0.03 -0.36 0.00 0.00 0.00 174.94 174.56 1xwf s PHE 271 N -0.91 0.62 -0.11 3.97 0.40 -0.36 -0.88 117.98 120.70 1xwf s PHE 271 Ca 0.00 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 1xwf s PHE 271 Cb -0.08 -0.80 -0.01 0.00 0.51 0.00 0.00 43.02 42.64 1xwf s PHE 271 CO 0.01 -0.41 -0.19 0.08 0.70 0.00 0.00 175.22 175.41 1xwf s VAL 272 N 1.99 2.47 -0.24 -0.44 1.01 -0.41 -1.45 120.40 123.33 1xwf s VAL 272 Ca 0.03 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 1xwf s VAL 272 Cb -0.14 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1xwf s VAL 272 CO -0.06 0.54 0.05 0.42 0.00 0.00 0.00 175.10 176.05 1xwf s THR 273 N 0.38 4.15 -0.32 3.92 -4.23 -1.18 -1.61 115.64 116.74 1xwf s THR 273 Ca -0.15 -0.23 0.08 0.00 -1.18 0.00 0.00 61.69 60.21 1xwf s THR 273 Cb -0.17 -2.92 0.50 0.00 1.34 0.00 0.00 72.50 71.25 1xwf s THR 273 CO 0.07 0.37 1.48 0.35 -0.54 0.00 0.00 174.62 176.34 1xwf n THR 274 N 4.79 2.64 -4.12 3.99 -2.24 -0.40 -1.78 114.28 117.15 1xwf n THR 274 Ca -0.17 -2.94 -0.26 0.00 -2.27 0.00 0.00 64.05 58.41 1xwf n THR 274 Cb 0.51 -0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 68.23 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 -3.52 1.89 -0.19 4.28 2.01 -1.26 -4.57 115.64 114.28 1xwf s THR 275 Ca 0.47 -1.65 0.16 0.00 0.31 0.00 0.00 61.69 60.97 1xwf s THR 275 Cb 0.42 -2.54 0.53 0.00 0.01 0.00 0.00 72.50 70.92 1xwf s THR 275 CO 0.00 0.00 1.43 0.61 -0.69 0.00 0.00 174.62 175.97 1xwf n GLY 276 N -1.45 4.14 3.91 4.40 0.00 -1.26 -3.79 105.19 111.13 1xwf n GLY 276 Ca -0.04 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 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 2.98 -1.20 0.00 -7.23 -1.26 -4.19 120.40 107.26 1xwf s VAL 278 Ca 0.42 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1xwf s VAL 278 Cb -0.07 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 1xwf s VAL 278 CO 0.28 -0.30 0.94 0.47 -0.31 0.00 0.00 175.10 176.18 1xwf n ASP 279 N -0.91 -2.55 -0.01 4.85 8.00 -1.19 -4.94 116.55 119.81 1xwf n ASP 279 Ca -0.05 -0.67 -0.21 0.00 0.71 0.00 0.00 54.79 54.57 1xwf n ASP 279 Cb 0.61 -4.94 -0.14 0.00 -0.02 0.00 0.00 41.12 36.63 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 -1.79 1.00 -3.29 0.53 1.08 -1.69 -3.44 117.51 109.91 1xwf h ILE 280 Ca -0.60 -2.36 -0.65 0.00 -0.39 0.00 0.00 64.86 60.86 1xwf h ILE 280 Cb 1.34 2.65 -0.36 0.00 -3.07 0.00 0.00 36.82 37.38 1xwf h ILE 280 CO 0.50 0.67 -0.84 -0.63 -0.69 0.00 0.00 178.15 177.17 1xwf s ILE 281 N -2.46 1.93 0.51 -0.67 1.01 -1.07 -4.96 121.20 115.48 1xwf s ILE 281 Ca -0.21 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.42 1xwf s ILE 281 Cb 0.05 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 1xwf s ILE 281 CO 0.74 0.35 0.04 -0.76 0.00 0.00 0.00 174.94 175.31 1xwf s LEU 282 N 1.30 2.36 0.26 2.97 2.01 -1.26 -1.83 118.68 124.50 1xwf s LEU 282 Ca 0.01 -1.60 -0.01 0.00 0.01 0.00 0.00 54.13 52.54 1xwf s LEU 282 Cb -0.15 -0.79 0.57 0.00 0.01 0.00 0.00 46.19 45.84 1xwf s LEU 282 CO -0.10 -0.86 1.70 1.23 1.01 0.00 0.00 176.35 179.33 1xwf h GLY 283 N 1.31 1.27 1.88 -3.19 0.00 -1.97 0.10 103.07 102.47 1xwf h GLY 283 Ca -0.43 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1xwf h GLY 283 CO 0.73 -0.20 0.05 0.07 0.00 0.00 0.00 176.54 177.19 1xwf h ARG 284 N 0.37 0.00 0.00 4.80 0.11 -1.98 -0.84 114.38 116.84 1xwf h ARG 284 Ca 0.48 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.51 1xwf h ARG 284 Cb 0.84 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.91 1xwf h ARG 284 CO -0.50 0.00 -0.50 0.45 0.10 0.00 0.00 179.97 179.52 1xwf h HIS 285 N 0.00 0.00 -0.92 4.08 3.86 -1.22 -3.37 115.15 117.59 1xwf h HIS 285 Ca 0.00 0.00 0.26 0.00 -1.16 0.00 0.00 60.37 59.47 1xwf h HIS 285 Cb 0.11 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.43 1xwf h HIS 285 CO 0.00 0.37 0.27 0.74 0.86 0.00 0.00 177.93 180.17 1xwf h PHE 286 N -1.00 0.41 0.00 2.45 0.04 -0.70 1.15 116.94 119.29 1xwf h PHE 286 Ca -0.07 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1xwf h PHE 286 Cb 0.58 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.70 1xwf h PHE 286 CO -0.07 -0.25 0.00 0.39 -0.60 0.00 0.00 178.31 177.78 1xwf n GLU 287 N -5.24 0.78 -0.00 1.51 1.02 -0.38 -2.27 120.64 116.06 1xwf n GLU 287 Ca 0.24 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1xwf n GLU 287 Cb 0.77 -1.02 -0.01 0.00 -0.02 0.00 0.00 31.44 31.15 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 -0.52 2.14 -1.67 3.49 1.13 0.39 -5.06 117.38 117.28 1xwf n GLN 288 Ca 0.01 -0.01 -0.38 0.00 -1.94 0.00 0.00 57.00 54.68 1xwf n GLN 288 Cb 0.00 -1.04 0.05 0.00 0.11 0.00 0.00 30.24 29.37 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 -1.84 1.15 -1.62 -1.09 2.81 -0.76 -4.54 117.12 111.24 1xwf n MET 289 Ca -0.01 0.44 -0.32 0.00 -1.81 0.00 0.00 57.70 56.00 1xwf n MET 289 Cb 0.33 -2.32 0.05 0.00 -0.71 0.00 0.00 33.22 30.57 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 -2.85 2.78 0.26 0.03 1.02 -1.26 -4.94 119.74 114.77 1xwf s LYS 290 Ca 0.75 1.17 -0.31 0.00 0.02 0.00 0.00 55.97 57.61 1xwf s LYS 290 Cb -0.42 -1.96 -0.13 0.00 -0.52 0.00 0.00 37.83 34.80 1xwf s LYS 290 CO 0.47 -1.24 1.34 -3.47 -0.92 0.00 0.00 175.35 171.53 1xwf n ASP 291 N -2.85 2.57 -2.85 2.83 2.03 -1.26 -2.15 116.55 114.87 1xwf n ASP 291 Ca 0.09 1.16 -0.21 0.00 0.52 0.00 0.00 54.79 56.35 1xwf n ASP 291 Cb 0.53 -1.42 0.04 0.00 -0.72 0.00 0.00 41.12 39.55 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 1.83 -5.83 -4.77 1.67 8.00 -0.92 -4.88 116.55 111.65 1xwf n ASP 292 Ca 0.10 -0.29 -0.37 0.00 0.71 0.00 0.00 54.79 54.95 1xwf n ASP 292 Cb 0.32 -4.64 -0.00 0.00 -0.02 0.00 0.00 41.12 36.78 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 -3.15 2.94 -0.33 2.24 0.00 -0.91 -4.69 121.76 117.85 1xwf s ALA 293 Ca 0.31 0.97 -0.09 0.00 0.00 0.00 0.00 51.96 53.14 1xwf s ALA 293 Cb -0.13 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.60 1xwf s ALA 293 CO 0.38 -0.74 0.14 0.42 0.00 0.00 0.00 175.76 175.96 1xwf s ILE 294 N -1.54 4.29 -0.11 0.00 1.01 -0.62 -0.99 121.20 123.24 1xwf s ILE 294 Ca 0.65 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 1xwf s ILE 294 Cb -0.29 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 1xwf s ILE 294 CO 0.35 -0.07 0.01 -0.69 0.00 0.00 0.00 174.94 174.55 1xwf s VAL 295 N 1.53 4.39 0.16 2.92 1.01 0.83 -1.23 120.40 130.01 1xwf s VAL 295 Ca 0.02 -0.21 -0.21 0.00 0.00 0.00 0.00 61.98 61.59 1xwf s VAL 295 Cb -0.18 -2.88 0.06 0.00 0.00 0.00 0.00 36.38 33.37 1xwf s VAL 295 CO 0.05 0.56 0.55 0.00 0.00 0.00 0.00 175.10 176.26 1xwf s ASN 297 N -2.77 1.16 0.00 0.00 2.47 -1.26 -3.12 114.94 111.41 1xwf s ASN 297 Ca 0.02 -0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.13 1xwf s ASN 297 Cb -0.00 -0.30 0.01 0.00 -1.45 0.00 0.00 41.25 39.51 1xwf s ASN 297 CO -0.12 0.06 0.81 0.00 -3.72 0.00 0.00 177.10 174.14 1xwf n ILE 298 N 3.27 0.60 0.00 -5.21 3.06 -0.85 -1.16 119.36 119.07 1xwf n ILE 298 Ca -0.18 -0.80 0.00 0.00 -2.50 0.00 0.00 62.75 59.27 1xwf n ILE 298 Cb 0.54 0.70 0.00 0.00 0.54 0.00 0.00 39.64 41.43 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 -0.27 -1.80 0.00 4.50 0.00 -0.74 -4.90 105.19 101.99 1xwf n GLY 299 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.81 1.61 -0.00 -1.25 -4.93 115.22 106.83 1xwf n HIS 300 Ca 0.00 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.09 1xwf n HIS 300 Cb 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.81 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 -0.06 0.09 -0.77 1.57 0.08 -1.26 -4.88 117.98 112.74 1xwf s PHE 301 Ca 0.00 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.56 1xwf s PHE 301 Cb 0.00 0.03 0.00 0.00 -0.57 0.00 0.00 43.02 42.48 1xwf s PHE 301 CO 0.00 -0.61 0.40 -0.40 -0.10 0.00 0.00 175.22 174.51 1xwf n ASP 302 N -0.13 0.94 -0.55 1.36 3.85 -1.26 -3.60 116.55 117.17 1xwf n ASP 302 Ca -0.14 -1.29 0.13 0.00 -0.71 0.00 0.00 54.79 52.77 1xwf n ASP 302 Cb 0.63 -0.32 0.44 0.00 -1.35 0.00 0.00 41.12 40.51 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 0.29 0.09 0.02 2.12 0.24 -1.26 -4.17 118.33 115.66 1xwf n VAL 303 Ca 0.00 -0.31 0.11 0.00 -2.04 0.00 0.00 64.34 62.10 1xwf n VAL 303 Cb 0.20 0.52 -0.14 0.00 -1.47 0.00 0.00 33.84 32.94 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 0.33 0.64 -5.08 7.34 1.02 -1.24 -3.16 120.64 120.50 1xwf n GLU 304 Ca 0.18 -0.15 -0.32 0.00 -0.02 0.00 0.00 57.16 56.85 1xwf n GLU 304 Cb 0.37 -1.56 -0.15 0.00 -0.02 0.00 0.00 31.44 30.08 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 -3.49 2.59 -1.30 -3.67 1.01 -1.26 -1.94 121.20 113.14 1xwf s ILE 305 Ca -0.07 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.54 1xwf s ILE 305 Cb 0.13 -1.97 0.11 0.00 0.01 0.00 0.00 42.46 40.74 1xwf s ILE 305 CO 0.89 0.58 1.75 -0.67 0.00 0.00 0.00 174.94 177.50 1xwf n ASP 306 N 2.45 4.87 0.17 3.58 -0.08 -0.76 -4.69 116.55 122.08 1xwf n ASP 306 Ca -0.17 -2.95 -0.14 0.00 -1.51 0.00 0.00 54.79 50.02 1xwf n ASP 306 Cb 0.52 -1.64 -0.07 0.00 2.34 0.00 0.00 41.12 42.26 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 4.78 0.70 -0.97 5.18 2.07 -1.89 -2.90 116.25 123.22 1xwf h VAL 307 Ca 0.42 0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.08 1xwf h VAL 307 Cb 0.80 0.70 -0.15 0.00 -1.52 0.00 0.00 31.29 31.12 1xwf h VAL 307 CO 1.49 0.00 -0.43 0.11 0.02 0.00 0.00 177.57 178.76 1xwf h LYS 308 N -0.38 -0.01 -0.82 1.57 6.56 -1.96 0.56 116.57 122.08 1xwf h LYS 308 Ca -0.03 0.00 0.19 0.00 -1.06 0.00 0.00 60.65 59.75 1xwf h LYS 308 Cb 0.30 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 31.85 1xwf h LYS 308 CO 0.04 -0.01 0.28 2.35 -2.06 0.00 0.00 179.45 180.05 1xwf h TRP 309 N -0.02 0.45 0.35 -1.35 7.01 -1.91 -0.64 115.95 119.85 1xwf h TRP 309 Ca 0.30 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.32 1xwf h TRP 309 Cb 0.55 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.54 1xwf h TRP 309 CO -0.90 -0.07 -0.25 -0.07 -2.79 0.00 0.00 178.44 174.37 1xwf h LEU 310 N 0.33 -0.65 -1.39 0.65 3.38 0.13 0.59 115.31 118.35 1xwf h LEU 310 Ca 0.49 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.50 1xwf h LEU 310 Cb 0.89 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1xwf h LEU 310 CO -0.53 -0.36 0.47 0.78 0.09 0.00 0.00 178.44 178.88 1xwf h ASN 311 N -0.57 0.00 0.00 -0.43 2.35 -0.86 0.10 115.58 116.17 1xwf h ASN 311 Ca -0.05 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.57 1xwf h ASN 311 Cb 0.47 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 1xwf h ASN 311 CO 0.03 0.00 -1.19 -0.62 -1.65 0.00 0.00 177.43 174.00 1xwf n GLU 312 N -2.66 0.52 -0.25 0.81 1.02 -0.31 -4.55 120.64 115.23 1xwf n GLU 312 Ca -0.01 0.40 0.06 0.00 -0.02 0.00 0.00 57.16 57.58 1xwf n GLU 312 Cb 0.50 -1.59 0.18 0.00 -0.02 0.00 0.00 31.44 30.51 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 -4.47 2.33 -4.84 1.62 5.03 0.20 -4.89 115.26 110.24 1xwf n ASN 313 Ca -0.23 -2.09 -0.37 0.00 0.87 0.00 0.00 54.58 52.76 1xwf n ASN 313 Cb 0.54 -0.32 -0.06 0.00 -1.02 0.00 0.00 39.78 38.92 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 -1.56 3.79 0.00 5.41 0.00 0.31 -4.52 121.76 125.19 1xwf s ALA 314 Ca 0.27 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1xwf s ALA 314 Cb 0.15 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1xwf s ALA 314 CO 0.16 0.50 0.75 0.28 0.00 0.00 0.00 175.76 177.45 1xwf n VAL 315 N 2.20 0.00 -4.89 0.00 0.31 0.01 -4.84 118.33 111.11 1xwf n VAL 315 Ca -0.17 1.23 -0.27 0.00 -0.01 0.00 0.00 64.34 65.12 1xwf n VAL 315 Cb 0.54 -2.20 -0.15 0.00 -0.91 0.00 0.00 33.84 31.12 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 -2.30 1.60 -0.30 5.55 -1.05 -1.25 -4.98 118.70 115.97 1xwf s GLU 316 Ca 0.00 -0.83 -0.00 0.00 -0.15 0.00 0.00 54.97 53.99 1xwf s GLU 316 Cb 0.00 -1.61 0.06 0.00 -0.44 0.00 0.00 34.13 32.14 1xwf s GLU 316 CO 0.00 0.43 -0.02 0.21 0.95 0.00 0.00 175.26 176.83 1xwf s LYS 317 N -0.76 2.31 -0.15 -4.83 2.20 -1.26 -0.91 119.74 116.34 1xwf s LYS 317 Ca 0.08 -1.35 -0.08 0.00 -0.36 0.00 0.00 55.97 54.26 1xwf s LYS 317 Cb -0.08 -3.12 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 1xwf s LYS 317 CO 0.00 -0.64 0.13 0.14 -0.36 0.00 0.00 175.35 174.62 1xwf s VAL 318 N 1.18 5.41 -0.67 4.02 -7.23 -1.03 -4.94 120.40 117.14 1xwf s VAL 318 Ca -0.05 0.18 -0.17 0.00 -1.81 0.00 0.00 61.98 60.13 1xwf s VAL 318 Cb -0.20 -3.40 0.14 0.00 0.56 0.00 0.00 36.38 33.48 1xwf s VAL 318 CO -0.03 0.54 0.72 0.21 -0.31 0.00 0.00 175.10 176.23 1xwf s ASN 319 N -0.42 6.37 0.26 4.85 3.84 -1.26 -0.56 114.94 128.02 1xwf s ASN 319 Ca 0.12 -1.88 -0.03 0.00 0.21 0.00 0.00 52.86 51.27 1xwf s ASN 319 Cb -0.12 -2.27 0.38 0.00 -0.55 0.00 0.00 41.25 38.69 1xwf s ASN 319 CO 0.01 -0.92 1.87 0.40 -2.79 0.00 0.00 177.10 175.67 1xwf h ILE 320 N 5.64 1.08 -2.22 -5.21 5.03 -1.77 -3.47 117.51 116.58 1xwf h ILE 320 Ca -0.15 -0.38 0.27 0.00 -0.12 0.00 0.00 64.86 64.47 1xwf h ILE 320 Cb 1.07 -0.14 -0.05 0.00 -3.03 0.00 0.00 36.82 34.67 1xwf h ILE 320 CO 1.01 0.20 0.75 2.29 -0.68 0.00 0.00 178.15 181.72 1xwf n LYS 321 N -4.54 0.31 -1.69 2.37 2.85 -1.10 -5.05 118.16 111.32 1xwf n LYS 321 Ca 0.14 -0.94 -0.50 0.00 -1.05 0.00 0.00 58.31 55.97 1xwf n LYS 321 Cb 0.18 1.42 -0.05 0.00 -0.65 0.00 0.00 35.03 35.92 1xwf n LYS 321 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1xwf n PRO 322 N -0.80 2.02 -1.55 -1.58 -0.02 -1.26 -1.75 135.00 130.06 1xwf n PRO 322 Ca 0.02 0.74 -0.12 0.00 -2.02 0.00 0.00 63.50 62.13 1xwf n PRO 322 Cb 0.54 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 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 6.35 -0.84 -3.51 -0.52 3.00 -1.26 -4.96 117.38 115.64 1xwf n GLN 323 Ca 0.23 0.83 -0.26 0.00 -0.01 0.00 0.00 57.00 57.78 1xwf n GLN 323 Cb 0.27 -4.86 -0.14 0.00 0.00 0.00 0.00 30.24 25.51 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 -2.47 -0.14 0.27 5.09 1.01 -0.72 -0.48 120.40 122.96 1xwf s VAL 324 Ca 0.00 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.40 1xwf s VAL 324 Cb 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1xwf s VAL 324 CO 0.00 -0.66 -0.01 -1.81 0.00 0.00 0.00 175.10 172.63 1xwf s ASP 325 N 2.16 4.53 -0.28 3.32 1.11 -0.65 -2.15 116.67 124.70 1xwf s ASP 325 Ca 0.09 -0.65 -0.03 0.00 0.18 0.00 0.00 52.55 52.13 1xwf s ASP 325 Cb -0.16 -0.83 0.10 0.00 1.07 0.00 0.00 42.92 43.10 1xwf s ASP 325 CO -0.35 0.00 0.11 -0.60 1.18 0.00 0.00 175.17 175.51 1xwf s ARG 326 N -3.67 0.35 0.42 8.23 3.52 0.27 -0.60 118.95 127.47 1xwf s ARG 326 Ca 0.31 -0.65 -0.22 0.00 -0.13 0.00 0.00 55.73 55.04 1xwf s ARG 326 Cb -0.06 -1.48 -0.10 0.00 -1.56 0.00 0.00 34.95 31.74 1xwf s ARG 326 CO 0.20 -0.97 0.96 0.71 -0.81 0.00 0.00 175.30 175.39 1xwf s TYR 327 N 1.95 3.34 -0.20 5.12 1.51 -0.51 -2.48 117.35 126.08 1xwf s TYR 327 Ca 0.08 1.64 -0.04 0.00 -1.01 0.00 0.00 57.07 57.74 1xwf s TYR 327 Cb -0.16 -2.90 -0.02 0.00 -0.11 0.00 0.00 41.96 38.77 1xwf s TYR 327 CO -0.30 -0.17 -0.03 -1.17 -1.11 0.00 0.00 175.55 172.77 1xwf s LEU 328 N -3.00 3.07 0.48 -1.29 2.96 -0.08 -1.14 118.68 119.68 1xwf s LEU 328 Ca 0.60 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 54.18 1xwf s LEU 328 Cb -0.12 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1xwf s LEU 328 CO 0.16 0.04 0.79 -0.76 -1.32 0.00 0.00 176.35 175.26 1xwf s LEU 329 N 1.11 3.62 0.00 -0.68 1.43 -0.34 -0.81 118.68 123.01 1xwf s LEU 329 Ca 0.02 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 1xwf s LEU 329 Cb -0.15 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.20 1xwf s LEU 329 CO 0.00 -0.58 0.55 0.29 0.23 0.00 0.00 176.35 176.84 1xwf n LYS 330 N -2.26 0.58 0.00 1.70 5.02 -1.26 -2.17 118.16 119.76 1xwf n LYS 330 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1xwf n LYS 330 Cb 0.55 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 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 -0.41 0.96 0.00 4.39 6.94 -1.26 -5.02 115.26 120.86 1xwf n ASN 331 Ca 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 54.58 53.44 1xwf n ASN 331 Cb 0.02 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 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 -0.06 3.20 3.82 4.83 0.00 -0.92 -5.07 105.19 110.98 1xwf n GLY 332 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.79 3.48 0.34 1.61 3.76 -1.26 -4.85 115.29 115.59 1xwf s HIS 333 Ca 0.00 1.43 0.07 0.00 -0.15 0.00 0.00 55.06 56.41 1xwf s HIS 333 Cb 0.00 -2.68 -0.01 0.00 1.11 0.00 0.00 32.58 31.00 1xwf s HIS 333 CO 0.00 0.14 0.44 1.03 -0.85 0.00 0.00 174.74 175.50 1xwf s ARG 334 N -2.61 3.01 -0.17 1.40 3.00 -1.26 -1.20 118.95 121.13 1xwf s ARG 334 Ca 0.52 -1.09 -0.04 0.00 0.00 0.00 0.00 55.73 55.12 1xwf s ARG 334 Cb -0.13 -2.74 0.08 0.00 0.00 0.00 0.00 34.95 32.16 1xwf s ARG 334 CO 0.18 0.03 0.21 0.42 0.00 0.00 0.00 175.30 176.15 1xwf s ILE 335 N -2.22 -0.32 -0.33 1.52 -1.09 -0.29 -2.17 121.20 116.29 1xwf s ILE 335 Ca 0.45 0.04 -0.24 0.00 -2.23 0.00 0.00 60.65 58.67 1xwf s ILE 335 Cb -0.09 -0.56 0.01 0.00 -1.58 0.00 0.00 42.46 40.24 1xwf s ILE 335 CO 0.30 -0.09 0.84 -0.63 -1.23 0.00 0.00 174.94 174.14 1xwf s ILE 336 N 2.33 4.71 -0.19 2.92 1.09 -0.17 -1.42 121.20 130.48 1xwf s ILE 336 Ca 0.05 1.16 -0.04 0.00 -1.10 0.00 0.00 60.65 60.72 1xwf s ILE 336 Cb -0.14 -4.23 -0.02 0.00 -1.06 0.00 0.00 42.46 37.01 1xwf s ILE 336 CO -0.10 -0.38 -0.02 -0.22 -0.10 0.00 0.00 174.94 174.12 1xwf s LEU 337 N 3.16 3.18 0.30 2.97 1.98 0.23 -0.12 118.68 130.38 1xwf s LEU 337 Ca 0.34 -0.21 0.04 0.00 -2.89 0.00 0.00 54.13 51.41 1xwf s LEU 337 Cb -0.13 -1.79 -0.02 0.00 0.66 0.00 0.00 46.19 44.90 1xwf s LEU 337 CO 0.15 0.09 0.44 -0.76 -1.89 0.00 0.00 176.35 174.38 1xwf s LEU 338 N 0.86 4.14 0.00 -0.68 1.43 -0.50 -1.63 118.68 122.30 1xwf s LEU 338 Ca -0.00 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1xwf s LEU 338 Cb -0.14 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.12 1xwf s LEU 338 CO 0.02 -0.23 0.00 0.00 0.23 0.00 0.00 176.35 176.36 1xwf n ALA 339 N -1.58 -0.30 -2.23 4.21 0.00 0.37 -0.87 120.51 120.09 1xwf n ALA 339 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 1xwf n ALA 339 Cb 0.57 -0.32 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.45 -1.67 0.00 0.00 4.07 -1.26 -1.07 120.64 119.25 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 0.15 -5.63 0.00 0.00 -0.06 0.00 0.00 31.44 25.91 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 -0.87 2.87 3.77 8.31 0.00 -0.05 -4.99 105.19 114.23 1xwf n GLY 341 Ca -0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1xwf n GLY 341 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xwf s ARG 342 N -0.76 -0.52 -0.25 1.61 0.52 -0.24 -4.09 118.95 115.23 1xwf s ARG 342 Ca 0.00 -0.37 -0.31 0.00 -0.52 0.00 0.00 55.73 54.53 1xwf s ARG 342 Cb 0.00 -1.71 -0.08 0.00 0.52 0.00 0.00 34.95 33.68 1xwf s ARG 342 CO 0.00 -3.19 2.17 1.28 0.02 0.00 0.00 175.30 175.58 1xwf n LEU 343 N -4.33 2.88 -0.14 2.53 4.32 -1.25 -4.22 117.00 116.80 1xwf n LEU 343 Ca 0.16 0.38 -0.07 0.00 -0.02 0.00 0.00 56.01 56.46 1xwf n LEU 343 Cb 0.59 -1.43 0.10 0.00 -1.62 0.00 0.00 43.42 41.07 1xwf n LEU 343 CO 0.43 -0.61 0.83 1.62 -1.22 0.00 0.00 177.39 178.43 1xwf h VAL 344 N 6.91 1.26 -0.07 4.08 3.04 -1.49 0.76 116.25 130.73 1xwf h VAL 344 Ca -0.37 -1.13 -0.11 0.00 -1.01 0.00 0.00 66.70 64.08 1xwf h VAL 344 Cb 1.27 0.91 -0.01 0.00 -2.01 0.00 0.00 31.29 31.45 1xwf h VAL 344 CO 0.98 0.40 -0.48 -0.55 -1.01 0.00 0.00 177.57 176.91 1xwf h ASN 345 N 0.81 0.18 0.71 3.17 -1.07 -1.84 0.25 115.58 117.78 1xwf h ASN 345 Ca 0.15 -0.09 -0.26 0.00 0.07 0.00 0.00 56.30 56.17 1xwf h ASN 345 Cb 0.55 -0.05 -0.02 0.00 -2.07 0.00 0.00 38.32 36.73 1xwf h ASN 345 CO 0.03 0.64 -1.27 -0.07 0.07 0.00 0.00 177.43 176.82 1xwf h LEU 346 N 0.14 0.22 -0.96 6.14 3.38 -1.76 -2.00 115.31 120.47 1xwf h LEU 346 Ca 0.01 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1xwf h LEU 346 Cb 0.90 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1xwf h LEU 346 CO 0.07 1.21 -0.23 0.61 0.09 0.00 0.00 178.44 180.19 1xwf n GLY 347 N 1.50 -0.05 0.00 0.83 0.00 0.26 -4.43 105.19 103.30 1xwf n GLY 347 Ca -0.08 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.07 0.06 -0.94 0.00 0.00 -1.07 -4.61 120.51 113.87 1xwf n ALA 349 Ca 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 1xwf n ALA 349 Cb 0.10 0.13 0.13 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.07 2.13 0.00 0.00 0.00 -1.25 -4.63 117.12 113.30 1xwf n MET 350 Ca -0.00 -2.55 0.00 0.00 0.00 0.00 0.00 57.70 55.15 1xwf n MET 350 Cb 0.06 -2.00 0.00 0.00 0.00 0.00 0.00 33.22 31.27 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 -0.76 0.44 3.90 3.03 0.00 -0.77 -4.78 105.19 106.25 1xwf n GLY 351 Ca 0.50 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 3.38 0.87 1.61 3.76 -1.26 -4.78 115.29 118.87 1xwf s HIS 352 Ca 0.00 0.87 -0.11 0.00 -0.15 0.00 0.00 55.06 55.66 1xwf s HIS 352 Cb 0.00 -2.74 0.11 0.00 1.11 0.00 0.00 32.58 31.06 1xwf s HIS 352 CO 0.00 -0.80 1.09 -2.14 -0.85 0.00 0.00 174.74 172.05 1xwf s PRO 353 N -5.07 1.47 0.08 8.40 0.02 -1.26 -4.87 135.00 133.77 1xwf s PRO 353 Ca 0.54 0.83 -0.25 0.00 0.02 0.00 0.00 61.00 62.15 1xwf s PRO 353 Cb -0.11 -1.83 -0.16 0.00 0.02 0.00 0.00 34.50 32.42 1xwf s PRO 353 CO 0.48 -2.10 1.70 0.77 -0.33 0.00 0.00 177.00 177.52 1xwf h SER 354 N -1.44 -0.12 -0.95 2.53 0.02 -1.94 -2.33 113.55 109.32 1xwf h SER 354 Ca -0.48 -0.01 0.12 0.00 -0.84 0.00 0.00 61.79 60.58 1xwf h SER 354 Cb 1.28 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.77 1xwf h SER 354 CO 0.55 -0.07 0.61 0.15 -1.14 0.00 0.00 176.83 176.93 1xwf h PHE 355 N -0.16 1.02 0.35 3.45 3.57 -1.84 0.33 116.94 123.65 1xwf h PHE 355 Ca -0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1xwf h PHE 355 Cb 0.13 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1xwf h PHE 355 CO -0.06 0.40 -0.17 -0.24 -2.23 0.00 0.00 178.31 176.01 1xwf h VAL 356 N 0.88 0.66 -0.96 1.41 3.04 -1.79 -2.79 116.25 116.69 1xwf h VAL 356 Ca 0.47 -0.38 0.19 0.00 -1.01 0.00 0.00 66.70 65.97 1xwf h VAL 356 Cb 0.55 0.85 -0.11 0.00 -2.01 0.00 0.00 31.29 30.58 1xwf h VAL 356 CO -0.24 0.07 0.56 0.24 -1.01 0.00 0.00 177.57 177.19 1xwf h MET 357 N -0.69 0.66 -0.57 4.17 2.86 -0.65 0.15 114.93 120.86 1xwf h MET 357 Ca -0.05 -0.04 0.17 0.00 -2.06 0.00 0.00 59.70 57.72 1xwf h MET 357 Cb 0.48 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1xwf h MET 357 CO 0.08 0.44 0.48 1.03 1.06 0.00 0.00 176.91 180.00 1xwf h SER 358 N 0.68 0.00 0.06 1.22 0.87 -0.13 0.44 113.55 116.70 1xwf h SER 358 Ca 0.56 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 61.12 1xwf h SER 358 Cb 0.90 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1xwf h SER 358 CO -0.40 0.00 -0.03 0.78 -0.53 0.00 0.00 176.83 176.65 1xwf h ASN 359 N 0.00 -0.07 0.89 6.23 4.21 -0.69 -2.67 115.58 123.48 1xwf h ASN 359 Ca 0.27 -0.50 0.00 0.00 1.21 0.00 0.00 56.30 57.28 1xwf h ASN 359 Cb 1.24 0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 1xwf h ASN 359 CO -0.00 0.62 0.00 0.77 -1.29 0.00 0.00 177.43 177.53 1xwf h SER 360 N -0.93 0.00 0.65 5.81 4.64 -1.41 -2.78 113.55 119.53 1xwf h SER 360 Ca -0.01 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 1xwf h SER 360 Cb 0.57 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 1xwf h SER 360 CO 0.01 0.00 -1.48 0.49 -0.87 0.00 0.00 176.83 174.99 1xwf n PHE 361 N -2.63 0.94 0.09 4.77 3.72 0.10 -3.04 117.46 121.40 1xwf n PHE 361 Ca 0.02 0.32 -0.06 0.00 -0.05 0.00 0.00 57.45 57.67 1xwf n PHE 361 Cb 0.27 -1.09 0.06 0.00 -0.94 0.00 0.00 39.48 37.78 1xwf n PHE 361 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1xwf h THR 362 N 0.00 1.46 -0.57 4.37 2.02 -1.34 -0.06 112.91 118.79 1xwf h THR 362 Ca -0.18 -2.35 0.03 0.00 0.77 0.00 0.00 66.41 64.67 1xwf h THR 362 Cb 1.63 2.27 -0.04 0.00 -1.74 0.00 0.00 68.15 70.27 1xwf h THR 362 CO 0.05 0.69 0.34 0.78 0.37 0.00 0.00 175.52 177.75 1xwf h ASN 363 N 0.12 0.56 -0.34 4.18 2.35 -1.57 -0.99 115.58 119.88 1xwf h ASN 363 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1xwf h ASN 363 Cb 1.32 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 1xwf h ASN 363 CO 0.11 0.39 0.23 -0.61 -1.65 0.00 0.00 177.43 175.90 1xwf h GLN 364 N 0.68 0.45 -0.47 0.81 5.75 -1.29 -1.19 115.11 119.85 1xwf h GLN 364 Ca 0.23 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.67 1xwf h GLN 364 Cb 0.02 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 1xwf h GLN 364 CO -0.10 0.30 0.18 0.28 -2.65 0.00 0.00 178.83 176.84 1xwf h VAL 365 N 0.46 1.18 -0.41 2.39 2.07 -0.57 -2.50 116.25 118.87 1xwf h VAL 365 Ca 0.13 -0.57 -0.15 0.00 0.82 0.00 0.00 66.70 66.92 1xwf h VAL 365 Cb -0.05 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1xwf h VAL 365 CO -0.03 0.22 -0.34 0.24 0.02 0.00 0.00 177.57 177.68 1xwf h MET 366 N 0.67 0.95 -0.39 1.57 2.86 -0.61 -2.75 114.93 117.24 1xwf h MET 366 Ca 0.16 -0.48 0.05 0.00 -2.06 0.00 0.00 59.70 57.37 1xwf h MET 366 Cb 0.15 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 1xwf h MET 366 CO -0.01 1.14 0.12 0.00 1.06 0.00 0.00 176.91 179.22 1xwf h ALA 367 N 0.79 0.44 -0.24 6.32 0.00 -0.81 -0.79 119.26 124.97 1xwf h ALA 367 Ca 0.07 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1xwf h ALA 367 Cb 0.94 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1xwf h ALA 367 CO 0.09 -0.28 -0.15 1.96 0.00 0.00 0.00 179.25 180.88 1xwf h GLN 368 N 0.27 -0.12 -0.09 0.00 1.08 -1.39 0.83 115.11 115.68 1xwf h GLN 368 Ca 0.18 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.41 1xwf h GLN 368 Cb 0.18 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1xwf h GLN 368 CO -0.20 -0.08 -0.01 0.82 -0.95 0.00 0.00 178.83 178.40 1xwf h ILE 369 N -0.13 0.92 0.21 2.54 2.04 -1.11 -1.07 117.51 120.91 1xwf h ILE 369 Ca 0.13 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 1xwf h ILE 369 Cb 0.33 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1xwf h ILE 369 CO -0.32 0.00 -0.14 -0.33 0.00 0.00 0.00 178.15 177.36 1xwf h GLU 370 N 0.01 -0.32 -1.16 2.37 4.39 -0.70 0.20 114.58 119.38 1xwf h GLU 370 Ca 0.04 0.02 0.36 0.00 0.34 0.00 0.00 59.36 60.13 1xwf h GLU 370 Cb 0.06 0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 28.66 1xwf h GLU 370 CO -0.09 -0.21 0.73 -0.07 -1.16 0.00 0.00 179.01 178.21 1xwf h LEU 371 N -0.33 0.36 -1.83 1.33 4.07 -0.86 0.62 115.31 118.67 1xwf h LEU 371 Ca -0.03 0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1xwf h LEU 371 Cb 0.27 0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1xwf h LEU 371 CO 0.02 -0.11 0.00 1.87 -1.08 0.00 0.00 178.44 179.14 1xwf n TRP 372 N -4.77 0.00 0.00 1.13 -0.00 -0.41 -3.65 117.44 109.74 1xwf n TRP 372 Ca 0.33 -0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.83 1xwf n TRP 372 Cb 1.18 -0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.49 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 1.20 0.00 -2.44 5.87 -1.04 0.69 -4.77 114.28 113.79 1xwf n THR 373 Ca 0.12 -0.35 -0.04 0.00 -2.04 0.00 0.00 64.05 61.75 1xwf n THR 373 Cb 0.53 0.95 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 -0.80 1.20 -0.31 -1.42 8.25 0.20 -4.93 115.22 117.42 1xwf n HIS 374 Ca 0.00 -1.74 0.10 0.00 -0.26 0.00 0.00 57.72 55.82 1xwf n HIS 374 Cb 0.00 -0.24 0.22 0.00 1.12 0.00 0.00 29.99 31.09 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 1.99 0.06 -0.99 -0.41 0.13 -1.71 0.51 132.00 131.58 1xwf h PRO 375 Ca -0.03 -0.00 0.26 0.00 -0.87 0.00 0.00 66.00 65.36 1xwf h PRO 375 Cb 1.44 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.49 1xwf h PRO 375 CO 0.28 0.04 0.67 -0.44 -0.23 0.00 0.00 178.00 178.32 1xwf h ASP 376 N 0.06 0.26 1.27 1.44 5.19 -1.91 0.13 116.42 122.85 1xwf h ASP 376 Ca 0.51 0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.90 1xwf h ASP 376 Cb 0.97 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 1xwf h ASP 376 CO -0.81 0.07 -0.29 0.11 -3.12 0.00 0.00 179.24 175.20 1xwf h LYS 377 N 0.24 0.00 -3.67 3.56 1.57 -0.36 -3.41 116.57 114.50 1xwf h LYS 377 Ca 0.51 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.64 1xwf h LYS 377 Cb 1.58 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.50 1xwf h LYS 377 CO -0.15 0.29 -0.59 0.71 -0.57 0.00 0.00 179.45 179.14 1xwf s TYR 378 N -3.35 3.33 0.76 -1.35 1.51 0.45 -5.10 117.35 113.61 1xwf s TYR 378 Ca 0.03 -3.03 -0.11 0.00 -1.01 0.00 0.00 57.07 52.95 1xwf s TYR 378 Cb 0.09 -2.93 0.05 0.00 -0.11 0.00 0.00 41.96 39.05 1xwf s TYR 378 CO 0.68 -0.80 1.08 -1.25 -1.11 0.00 0.00 175.55 174.15 1xwf s PRO 379 N -0.01 2.40 -0.15 -1.71 0.04 -1.26 -4.71 135.00 129.59 1xwf s PRO 379 Ca 0.16 1.04 -0.36 0.00 0.04 0.00 0.00 61.00 61.88 1xwf s PRO 379 Cb -0.24 -1.92 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 1xwf s PRO 379 CO -0.02 -1.51 1.86 0.28 0.04 0.00 0.00 177.00 177.65 1xwf n VAL 380 N -3.41 0.50 0.00 -0.36 0.31 -1.26 -4.63 118.33 109.48 1xwf n VAL 380 Ca 0.08 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1xwf n VAL 380 Cb 0.54 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 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 4.40 0.66 3.51 2.92 0.00 -1.26 -4.90 105.19 110.52 1xwf n GLY 381 Ca 0.24 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.00 4.90 0.37 1.61 0.11 -1.26 -0.25 120.40 123.88 1xwf s VAL 382 Ca 0.00 -0.14 0.08 0.00 -2.93 0.00 0.00 61.98 58.99 1xwf s VAL 382 Cb 0.00 -3.40 -0.04 0.00 -1.53 0.00 0.00 36.38 31.41 1xwf s VAL 382 CO 0.00 0.17 0.23 -1.00 -3.33 0.00 0.00 175.10 171.18 1xwf s HIS 383 N 1.68 2.72 0.01 1.54 4.02 0.31 -4.81 115.29 120.77 1xwf s HIS 383 Ca 0.06 -0.44 0.02 0.00 1.02 0.00 0.00 55.06 55.72 1xwf s HIS 383 Cb -0.16 -1.87 -0.04 0.00 -1.02 0.00 0.00 32.58 29.49 1xwf s HIS 383 CO 0.08 0.16 0.01 -0.06 1.02 0.00 0.00 174.74 175.95 1xwf s PHE 384 N -2.46 3.08 0.28 1.40 0.40 -1.26 0.24 117.98 119.67 1xwf s PHE 384 Ca 0.42 0.07 -0.29 0.00 -0.60 0.00 0.00 56.93 56.53 1xwf s PHE 384 Cb -0.02 -1.65 -0.10 0.00 0.51 0.00 0.00 43.02 41.76 1xwf s PHE 384 CO 0.25 0.47 1.34 -1.17 0.70 0.00 0.00 175.22 176.80 1xwf s LEU 385 N -1.71 4.42 0.62 -0.37 2.96 -1.26 -4.94 118.68 118.40 1xwf s LEU 385 Ca 0.21 2.62 -0.19 0.00 -0.22 0.00 0.00 54.13 56.55 1xwf s LEU 385 Cb -0.12 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 1xwf s LEU 385 CO 0.12 -0.57 1.28 -0.81 -1.32 0.00 0.00 176.35 175.06 1xwf n PRO 386 N 1.55 1.22 -0.24 0.98 -0.04 -1.26 -4.87 135.00 132.34 1xwf n PRO 386 Ca 0.03 0.47 -0.05 0.00 -0.04 0.00 0.00 63.50 63.91 1xwf n PRO 386 Cb 0.42 -2.52 0.11 0.00 -0.04 0.00 0.00 33.50 31.47 1xwf n PRO 386 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xwf h LYS 387 N 0.71 1.09 -0.14 0.54 3.64 -1.99 -1.27 116.57 119.15 1xwf h LYS 387 Ca -0.51 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 58.71 1xwf h LYS 387 Cb 1.33 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1xwf h LYS 387 CO 0.54 0.90 0.23 -0.22 -2.27 0.00 0.00 179.45 178.63 1xwf h LYS 388 N 1.06 0.00 0.00 1.90 3.11 -1.98 0.54 116.57 121.20 1xwf h LYS 388 Ca 0.24 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 58.00 1xwf h LYS 388 Cb 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 1xwf h LYS 388 CO -0.02 0.00 -1.07 -0.07 -2.81 0.00 0.00 179.45 175.49 1xwf h LEU 389 N 0.00 0.00 0.30 5.20 3.38 -1.59 -3.01 115.31 119.59 1xwf h LEU 389 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xwf h LEU 389 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1xwf h LEU 389 CO -0.00 0.27 -0.15 -0.78 0.09 0.00 0.00 178.44 177.87 1xwf h ASP 390 N 0.00 -0.34 -1.03 -0.43 -0.00 -0.69 -1.70 116.42 112.22 1xwf h ASP 390 Ca -0.06 -0.19 0.30 0.00 -0.00 0.00 0.00 57.03 57.07 1xwf h ASP 390 Cb 1.26 0.09 -0.04 0.00 -0.00 0.00 0.00 39.33 40.64 1xwf h ASP 390 CO 0.02 0.10 0.75 -0.33 -0.00 0.00 0.00 179.24 179.79 1xwf h GLU 391 N -0.90 0.00 -0.45 0.28 5.08 -1.50 0.79 114.58 117.87 1xwf h GLU 391 Ca -0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1xwf h GLU 391 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1xwf h GLU 391 CO 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 178.07 1xwf h ALA 392 N 1.47 0.61 -0.66 3.43 0.00 -1.27 0.34 119.26 123.18 1xwf h ALA 392 Ca 0.49 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1xwf h ALA 392 Cb 1.98 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 1xwf h ALA 392 CO -0.01 0.41 0.26 0.28 0.00 0.00 0.00 179.25 180.20 1xwf h VAL 393 N 0.65 1.23 0.48 0.00 2.07 0.15 -2.83 116.25 117.99 1xwf h VAL 393 Ca 0.13 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1xwf h VAL 393 Cb 0.51 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1xwf h VAL 393 CO 0.02 0.29 -0.23 0.00 0.02 0.00 0.00 177.57 177.67 1xwf h ALA 394 N 1.34 -0.80 -1.40 1.67 0.00 -1.14 -3.17 119.26 115.75 1xwf h ALA 394 Ca 0.22 -0.14 0.45 0.00 0.00 0.00 0.00 54.91 55.44 1xwf h ALA 394 Cb 0.18 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 1xwf h ALA 394 CO -0.02 -0.75 0.93 1.49 0.00 0.00 0.00 179.25 180.90 1xwf h GLU 395 N -0.92 0.07 0.00 0.00 4.22 -0.95 0.99 114.58 117.99 1xwf h GLU 395 Ca -0.07 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1xwf h GLU 395 Cb 0.49 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1xwf h GLU 395 CO 0.11 0.05 0.00 0.00 -2.18 0.00 0.00 179.01 176.98 1xwf n ALA 396 N -2.59 1.68 0.22 2.92 0.00 -1.07 -2.91 120.51 118.76 1xwf n ALA 396 Ca 0.37 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.84 1xwf n ALA 396 Cb 1.50 -1.27 -0.08 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.63 0.00 0.28 0.00 8.25 0.34 -4.27 115.22 118.19 1xwf n HIS 397 Ca 0.03 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.66 1xwf n HIS 397 Cb 0.18 -0.16 0.90 0.00 1.12 0.00 0.00 29.99 32.04 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 0.05 2.41 4.07 -1.38 -2.67 115.31 117.80 1xwf h LEU 398 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1xwf h LEU 398 Cb 0.42 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1xwf h LEU 398 CO 0.00 0.00 -0.03 1.23 -1.08 0.00 0.00 178.44 178.56 1xwf h GLY 399 N 0.00 -0.07 -0.19 0.83 0.00 -1.77 -0.32 103.07 101.55 1xwf h GLY 399 Ca 0.00 0.03 0.14 0.00 0.00 0.00 0.00 47.33 47.49 1xwf h GLY 399 CO 0.00 -0.03 -0.05 1.70 0.00 0.00 0.00 176.54 178.16 1xwf h LYS 400 N -0.83 0.07 -0.22 4.80 1.63 -1.76 0.11 116.57 120.37 1xwf h LYS 400 Ca -0.01 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1xwf h LYS 400 Cb 0.65 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1xwf h LYS 400 CO 0.01 0.05 0.00 1.47 -3.45 0.00 0.00 179.45 177.53 1xwf n LEU 401 N -5.34 1.70 -3.39 5.20 -0.00 -1.22 -4.98 117.00 108.97 1xwf n LEU 401 Ca 0.09 -0.76 -0.19 0.00 -0.00 0.00 0.00 56.01 55.16 1xwf n LEU 401 Cb 0.37 -0.14 0.05 0.00 -0.00 0.00 0.00 43.42 43.70 1xwf n LEU 401 CO 0.07 0.38 0.03 -3.20 -0.00 0.00 0.00 177.39 174.67 1xwf n ASN 402 N 0.36 -6.31 -4.38 1.45 5.15 0.40 -5.01 115.26 106.92 1xwf n ASN 402 Ca 0.15 -0.74 -0.33 0.00 -0.60 0.00 0.00 54.58 53.06 1xwf n ASN 402 Cb 0.31 -4.49 -0.14 0.00 -0.53 0.00 0.00 39.78 34.93 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 -3.35 3.08 -0.66 3.44 -7.23 -0.17 -5.04 120.40 110.47 1xwf s VAL 403 Ca 0.39 -0.65 -0.25 0.00 -1.81 0.00 0.00 61.98 59.66 1xwf s VAL 403 Cb -0.09 -2.29 0.05 0.00 0.56 0.00 0.00 36.38 34.61 1xwf s VAL 403 CO 0.79 0.53 1.08 -0.54 -0.31 0.00 0.00 175.10 176.64 1xwf s LYS 404 N 0.29 3.20 -0.12 4.82 3.01 -1.26 -4.76 119.74 124.91 1xwf s LYS 404 Ca -0.10 -0.47 -0.29 0.00 -1.01 0.00 0.00 55.97 54.10 1xwf s LYS 404 Cb -0.16 -4.17 -0.02 0.00 -1.01 0.00 0.00 37.83 32.48 1xwf s LYS 404 CO 0.05 -1.86 1.16 -1.17 0.51 0.00 0.00 175.35 174.04 1xwf s LEU 405 N 4.66 4.22 0.34 3.17 2.96 -1.26 -5.00 118.68 127.77 1xwf s LEU 405 Ca 0.29 1.66 -0.28 0.00 -0.22 0.00 0.00 54.13 55.59 1xwf s LEU 405 Cb -0.13 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.92 1xwf s LEU 405 CO 0.14 -0.62 1.18 -0.89 -1.32 0.00 0.00 176.35 174.84 1xwf s THR 406 N 2.70 3.15 -0.21 3.68 2.01 -1.26 -5.02 115.64 120.69 1xwf s THR 406 Ca 0.52 1.07 -0.05 0.00 0.31 0.00 0.00 61.69 63.55 1xwf s THR 406 Cb -0.21 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 1xwf s THR 406 CO 0.17 0.20 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.53 1xwf s LYS 407 N -1.89 3.52 0.99 4.92 2.36 -1.26 -5.09 119.74 123.29 1xwf s LYS 407 Ca 0.51 -0.56 -0.14 0.00 -2.55 0.00 0.00 55.97 53.22 1xwf s LYS 407 Cb -0.33 -3.05 0.04 0.00 -1.05 0.00 0.00 37.83 33.43 1xwf s LYS 407 CO 0.43 -0.07 0.23 -0.11 1.55 0.00 0.00 175.35 177.37 1xwf n LEU 408 N 4.47 -1.05 -4.14 5.43 7.94 -1.26 -5.01 117.00 123.38 1xwf n LEU 408 Ca -0.17 0.23 -0.21 0.00 -1.11 0.00 0.00 56.01 54.74 1xwf n LEU 408 Cb 0.51 -1.12 -0.14 0.00 0.53 0.00 0.00 43.42 43.20 1xwf n LEU 408 CO 0.30 -3.67 -0.47 0.42 -1.11 0.00 0.00 177.39 172.86 1xwf s THR 409 N -2.33 1.16 0.05 1.96 -4.23 -1.26 -4.93 115.64 106.05 1xwf s THR 409 Ca 0.55 -0.86 -0.09 0.00 -1.18 0.00 0.00 61.69 60.11 1xwf s THR 409 Cb -0.19 -1.01 -0.02 0.00 1.34 0.00 0.00 72.50 72.62 1xwf s THR 409 CO 0.68 0.14 0.54 -0.62 -0.54 0.00 0.00 174.62 174.82 1xwf n GLU 410 N 2.21 -0.12 -0.05 3.99 -0.58 -1.26 0.91 120.64 125.73 1xwf n GLU 410 Ca -0.16 0.53 -0.07 0.00 -0.42 0.00 0.00 57.16 57.03 1xwf n GLU 410 Cb 0.55 -0.78 -0.01 0.00 -0.57 0.00 0.00 31.44 30.62 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 -0.14 0.64 3.49 3.64 -1.99 0.97 116.57 123.18 1xwf h LYS 411 Ca 0.05 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1xwf h LYS 411 Cb 0.12 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1xwf h LYS 411 CO -0.27 -0.09 -0.41 1.96 -2.27 0.00 0.00 179.45 178.38 1xwf h GLN 412 N -0.15 -0.95 -0.92 1.90 4.20 0.12 0.11 115.11 119.43 1xwf h GLN 412 Ca 0.14 0.06 0.20 0.00 0.06 0.00 0.00 58.65 59.11 1xwf h GLN 412 Cb 0.36 0.22 -0.17 0.00 0.30 0.00 0.00 27.48 28.18 1xwf h GLN 412 CO -0.34 -0.63 -0.18 0.00 -0.67 0.00 0.00 178.83 177.00 1xwf h ALA 413 N -1.29 0.69 0.62 3.87 0.00 0.55 0.35 119.26 124.05 1xwf h ALA 413 Ca -0.09 0.35 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1xwf h ALA 413 Cb 0.79 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1xwf h ALA 413 CO 0.08 -0.42 -0.35 0.37 0.00 0.00 0.00 179.25 178.94 1xwf h GLN 414 N 0.01 -0.86 -0.92 0.00 5.75 -0.63 0.58 115.11 119.04 1xwf h GLN 414 Ca 0.46 0.06 0.26 0.00 -0.15 0.00 0.00 58.65 59.28 1xwf h GLN 414 Cb 0.75 0.20 -0.16 0.00 1.07 0.00 0.00 27.48 29.34 1xwf h GLN 414 CO -0.93 -0.58 0.18 -0.92 -2.65 0.00 0.00 178.83 173.93 1xwf h TYR 415 N -0.90 0.23 0.00 3.99 3.20 0.99 0.61 116.97 125.10 1xwf h TYR 415 Ca -0.08 0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 1xwf h TYR 415 Cb 0.71 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 1xwf h TYR 415 CO 0.00 -0.31 -0.46 -0.07 -1.64 0.00 0.00 178.16 175.68 1xwf h LEU 416 N 0.11 0.00 -2.08 2.82 3.38 -0.02 -3.48 115.31 116.04 1xwf h LEU 416 Ca 0.59 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.45 1xwf h LEU 416 Cb 1.23 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.04 1xwf h LEU 416 CO -0.76 0.46 -0.27 0.61 0.09 0.00 0.00 178.44 178.58 1xwf n GLY 417 N 0.50 0.18 3.35 0.83 0.00 0.21 -5.06 105.19 105.20 1xwf n GLY 417 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.25 1.05 0.12 1.61 0.23 -0.76 -5.03 119.30 112.27 1xwf s MET 418 Ca 0.03 -0.46 -0.31 0.00 -1.03 0.00 0.00 55.69 53.93 1xwf s MET 418 Cb -0.00 0.47 -0.08 0.00 -1.53 0.00 0.00 34.83 33.69 1xwf s MET 418 CO 0.25 -0.40 1.32 -1.25 -2.03 0.00 0.00 175.02 172.91 1xwf s PRO 419 N -3.08 4.37 0.58 3.16 0.04 -1.26 -4.50 135.00 134.31 1xwf s PRO 419 Ca -0.02 2.00 0.32 0.00 0.04 0.00 0.00 61.00 63.35 1xwf s PRO 419 Cb 0.00 -3.26 1.37 0.00 0.04 0.00 0.00 34.50 32.65 1xwf s PRO 419 CO -0.07 -0.35 1.67 0.97 0.04 0.00 0.00 177.00 179.27 1xwf h ILE 420 N 4.18 0.24 0.00 0.56 2.10 -1.94 -1.10 117.51 121.54 1xwf h ILE 420 Ca -0.43 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.51 1xwf h ILE 420 Cb 1.21 0.33 0.00 0.00 -1.09 0.00 0.00 36.82 37.27 1xwf h ILE 420 CO 0.83 0.00 -0.98 0.59 -1.08 0.00 0.00 178.15 177.51 1xwf n ASN 421 N -3.72 4.91 -4.33 2.19 4.13 -1.26 -4.56 115.26 112.63 1xwf n ASN 421 Ca 0.20 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.18 1xwf n ASN 421 Cb 1.19 0.82 0.25 0.00 -1.54 0.00 0.00 39.78 40.49 1xwf n ASN 421 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1xwf s GLY 422 N -2.30 1.52 0.11 7.41 0.00 -0.42 -4.86 107.32 108.79 1xwf s GLY 422 Ca 0.00 -0.36 -0.35 0.00 0.00 0.00 0.00 44.72 44.01 1xwf s GLY 422 CO 0.00 0.40 1.15 -1.05 0.00 0.00 0.00 173.10 173.60 1xwf n PRO 423 N -4.90 0.84 0.00 2.90 -0.02 -1.26 -4.62 135.00 127.94 1xwf n PRO 423 Ca 0.05 0.30 0.12 0.00 -2.02 0.00 0.00 63.50 61.96 1xwf n PRO 423 Cb 0.56 -1.81 0.23 0.00 -0.02 0.00 0.00 33.50 32.47 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 1.69 0.00 -3.94 6.00 3.72 -1.26 -4.55 117.46 119.11 1xwf n PHE 424 Ca 0.17 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.48 1xwf n PHE 424 Cb 0.20 -0.03 -0.10 0.00 -0.94 0.00 0.00 39.48 38.61 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 -2.26 0.52 1.04 -1.08 1.02 -1.26 -5.12 119.74 112.59 1xwf s LYS 425 Ca 0.27 -0.72 -0.12 0.00 0.02 0.00 0.00 55.97 55.42 1xwf s LYS 425 Cb 0.19 0.20 0.21 0.00 -0.52 0.00 0.00 37.83 37.92 1xwf s LYS 425 CO 0.44 -0.12 1.08 -2.14 -0.92 0.00 0.00 175.35 173.69 1xwf s PRO 426 N -2.33 0.09 0.25 -1.68 0.02 -1.26 -4.93 135.00 125.16 1xwf s PRO 426 Ca -0.07 1.09 0.10 0.00 0.02 0.00 0.00 61.00 62.14 1xwf s PRO 426 Cb -0.03 -1.65 0.24 0.00 0.02 0.00 0.00 34.50 33.08 1xwf s PRO 426 CO -0.03 -3.12 1.54 -0.44 -0.33 0.00 0.00 177.00 174.62 1xwf h ASP 427 N -2.20 0.00 -0.02 2.53 3.32 -2.03 -2.88 116.42 115.15 1xwf h ASP 427 Ca -0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1xwf h ASP 427 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1xwf h ASP 427 CO 0.48 0.68 0.00 0.00 -1.72 0.00 0.00 179.24 178.68 1xwf n HIS 428 N -3.66 0.02 -1.70 4.55 1.44 -1.26 -4.88 115.22 109.74 1xwf n HIS 428 Ca -0.01 -0.01 -0.42 0.00 -2.01 0.00 0.00 57.72 55.27 1xwf n HIS 428 Cb 0.69 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.79 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 -0.60 2.27 0.58 -1.40 9.36 -1.09 -4.90 117.16 121.38 1xwf n TYR 429 Ca 0.20 0.54 0.07 0.00 3.32 0.00 0.00 57.90 62.03 1xwf n TYR 429 Cb 0.17 -2.41 0.01 0.00 -0.63 0.00 0.00 39.34 36.48 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 0.47 1.62 -0.20 2.98 1.74 -1.26 -5.03 116.66 116.97 1xwf n ARG 430 Ca 0.05 -0.87 0.00 0.00 -0.77 0.00 0.00 57.85 56.26 1xwf n ARG 430 Cb 0.37 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 1xwf n ARG 430 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77