#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dgf s ASP 6 N 0.00 6.32 0.22 0.55 -4.77 -1.26 -4.91 116.67 112.82 1dgf s ASP 6 Ca 0.00 1.36 -0.09 0.00 -3.30 0.00 0.00 52.55 50.52 1dgf s ASP 6 Cb 0.00 -2.44 0.33 0.00 -1.09 0.00 0.00 42.92 39.72 1dgf s ASP 6 CO 0.00 -0.76 1.70 -0.65 0.70 0.00 0.00 175.17 176.16 1dgf h PRO 7 N 0.05 0.24 -0.29 2.11 0.11 -1.95 -2.20 132.00 130.07 1dgf h PRO 7 Ca -0.45 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1dgf h PRO 7 Cb 1.19 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1dgf h PRO 7 CO 0.62 0.16 0.07 0.00 -0.21 0.00 0.00 178.00 178.63 1dgf h ALA 8 N 1.52 0.30 -0.61 -0.75 0.00 -1.94 -2.30 119.26 115.49 1dgf h ALA 8 Ca 0.34 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1dgf h ALA 8 Cb 0.53 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1dgf h ALA 8 CO -0.44 -0.34 0.35 0.77 0.00 0.00 0.00 179.25 179.59 1dgf h SER 9 N 0.18 0.73 -0.26 0.00 0.02 -1.83 -2.52 113.55 109.87 1dgf h SER 9 Ca 0.13 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1dgf h SER 9 Cb 0.13 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1dgf h SER 9 CO -0.16 0.57 0.00 0.47 -1.14 0.00 0.00 176.83 176.57 1dgf n ASP 10 N -4.40 2.53 -0.05 3.07 8.00 -0.87 -4.55 116.55 120.28 1dgf n ASP 10 Ca 0.06 -2.26 -0.09 0.00 0.71 0.00 0.00 54.79 53.21 1dgf n ASP 10 Cb 0.08 -0.46 -0.02 0.00 -0.02 0.00 0.00 41.12 40.69 1dgf n ASP 10 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1dgf h GLN 11 N 1.67 -0.28 -0.53 -1.24 -0.00 -1.14 0.21 115.11 113.80 1dgf h GLN 11 Ca 0.00 0.02 -0.08 0.00 -0.00 0.00 0.00 58.65 58.59 1dgf h GLN 11 Cb 0.89 0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.42 1dgf h GLN 11 CO 0.14 -0.19 0.01 0.52 0.00 0.00 0.00 178.83 179.31 1dgf h MET 12 N -0.29 0.93 -0.63 1.69 2.86 -1.86 -1.63 114.93 115.99 1dgf h MET 12 Ca 0.13 -0.29 0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1dgf h MET 12 Cb 0.50 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 1dgf h MET 12 CO -0.41 0.94 0.39 0.37 1.06 0.00 0.00 176.91 179.26 1dgf h GLN 13 N 0.81 0.73 -0.57 1.72 5.75 -1.78 -0.34 115.11 121.43 1dgf h GLN 13 Ca 0.15 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.51 1dgf h GLN 13 Cb 0.52 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 1dgf h GLN 13 CO 0.03 0.48 -0.03 0.45 -2.65 0.00 0.00 178.83 177.11 1dgf h HIS 14 N 0.75 1.10 -0.64 3.99 3.86 -0.78 -1.25 115.15 122.17 1dgf h HIS 14 Ca 0.26 -0.19 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1dgf h HIS 14 Cb 0.04 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.20 1dgf h HIS 14 CO -0.05 0.99 0.26 2.35 0.86 0.00 0.00 177.93 182.34 1dgf h TRP 15 N 0.91 0.97 -0.22 2.45 7.01 -0.77 -1.36 115.95 124.95 1dgf h TRP 15 Ca 0.16 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1dgf h TRP 15 Cb 0.57 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1dgf h TRP 15 CO 0.04 0.76 0.11 -0.22 -2.79 0.00 0.00 178.44 176.34 1dgf h LYS 16 N 0.90 0.31 -0.67 2.65 3.64 -0.85 -2.74 116.57 119.82 1dgf h LYS 16 Ca 0.21 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1dgf h LYS 16 Cb 0.20 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1dgf h LYS 16 CO -0.02 0.32 0.39 0.93 -2.27 0.00 0.00 179.45 178.80 1dgf h GLU 17 N 0.23 0.91 -0.19 1.90 5.08 -0.98 0.15 114.58 121.67 1dgf h GLU 17 Ca 0.07 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1dgf h GLU 17 Cb 0.11 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1dgf h GLU 17 CO -0.01 0.65 -0.07 1.96 -1.00 0.00 0.00 179.01 180.54 1dgf h GLN 18 N 0.92 0.29 0.18 2.33 7.50 -1.03 -2.78 115.11 122.52 1dgf h GLN 18 Ca 0.24 -0.06 -0.31 0.00 0.50 0.00 0.00 58.65 59.03 1dgf h GLN 18 Cb -0.02 -0.05 0.02 0.00 0.05 0.00 0.00 27.48 27.48 1dgf h GLN 18 CO -0.04 0.38 -1.39 0.00 -1.50 0.00 0.00 178.83 176.27 1dgf h ARG 19 N 0.28 0.38 0.00 1.46 3.08 -1.01 -3.49 114.38 115.08 1dgf h ARG 19 Ca 0.06 -0.65 0.00 0.00 0.07 0.00 0.00 59.98 59.46 1dgf h ARG 19 Cb 0.31 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1dgf h ARG 19 CO 0.01 1.30 0.00 0.00 -1.07 0.00 0.00 179.97 180.21 1dgf n ALA 20 N -2.63 -0.65 -1.43 0.04 0.00 -0.06 -3.05 120.51 112.74 1dgf n ALA 20 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 1dgf n ALA 20 Cb 1.06 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.47 1dgf n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dgf n ALA 21 N 0.00 -0.18 -2.89 0.00 0.00 -1.26 -5.01 120.51 111.17 1dgf n ALA 21 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.48 1dgf n ALA 21 Cb 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.04 1dgf n ALA 21 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1dgf s GLN 22 N -3.11 0.04 0.47 0.00 -2.07 -1.17 -5.14 119.66 108.68 1dgf s GLN 22 Ca 0.00 -0.07 -0.24 0.00 -1.82 0.00 0.00 55.36 53.24 1dgf s GLN 22 Cb 0.00 0.02 -0.07 0.00 -1.09 0.00 0.00 33.01 31.87 1dgf s GLN 22 CO 0.00 -0.01 1.28 0.21 -1.32 0.00 0.00 175.29 175.46 1dgf s LYS 23 N -0.17 3.61 0.57 9.60 2.20 -1.26 -4.99 119.74 129.29 1dgf s LYS 23 Ca -0.02 2.07 -0.19 0.00 -0.36 0.00 0.00 55.97 57.47 1dgf s LYS 23 Cb -0.01 -2.47 -0.05 0.00 -1.51 0.00 0.00 37.83 33.79 1dgf s LYS 23 CO -0.00 -0.76 1.17 0.00 -0.36 0.00 0.00 175.35 175.40 1dgf s ALA 24 N -1.36 2.63 0.80 3.13 0.00 -1.26 -5.00 121.76 120.69 1dgf s ALA 24 Ca 0.64 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 53.42 1dgf s ALA 24 Cb -0.36 -3.41 0.07 0.00 0.00 0.00 0.00 23.12 19.42 1dgf s ALA 24 CO 0.44 -0.97 1.11 -0.51 0.00 0.00 0.00 175.76 175.83 1dgf s ASP 25 N -1.66 4.19 -0.02 0.00 -0.00 -1.26 -4.97 116.67 112.95 1dgf s ASP 25 Ca 0.75 1.92 -0.30 0.00 -0.00 0.00 0.00 52.55 54.92 1dgf s ASP 25 Cb -0.27 -2.53 -0.03 0.00 -0.00 0.00 0.00 42.92 40.08 1dgf s ASP 25 CO 0.30 -2.25 1.06 -0.69 -0.00 0.00 0.00 175.17 173.59 1dgf s VAL 26 N -2.80 4.61 -0.01 -1.27 1.01 -1.26 -4.99 120.40 115.69 1dgf s VAL 26 Ca 0.63 1.88 -0.30 0.00 0.00 0.00 0.00 61.98 64.19 1dgf s VAL 26 Cb -0.19 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 1dgf s VAL 26 CO 0.55 0.09 1.34 -0.22 0.00 0.00 0.00 175.10 176.87 1dgf s LEU 27 N 1.40 4.31 0.34 3.92 0.20 -1.26 -4.97 118.68 122.62 1dgf s LEU 27 Ca 0.53 2.04 0.05 0.00 0.69 0.00 0.00 54.13 57.43 1dgf s LEU 27 Cb -0.22 -3.56 -0.07 0.00 -0.43 0.00 0.00 46.19 41.91 1dgf s LEU 27 CO 0.25 -0.68 0.04 0.42 -0.29 0.00 0.00 176.35 176.09 1dgf s THR 28 N 2.31 1.41 0.97 3.68 -4.23 -1.26 -0.72 115.64 117.80 1dgf s THR 28 Ca 0.62 -2.01 -0.16 0.00 -1.18 0.00 0.00 61.69 58.95 1dgf s THR 28 Cb -0.30 -2.80 0.21 0.00 1.34 0.00 0.00 72.50 70.95 1dgf s THR 28 CO 0.25 -0.03 1.33 0.42 -0.54 0.00 0.00 174.62 176.05 1dgf s THR 29 N -3.14 2.00 0.46 3.99 -4.23 0.15 -4.88 115.64 109.99 1dgf s THR 29 Ca 0.35 -0.00 0.14 0.00 -1.18 0.00 0.00 61.69 61.00 1dgf s THR 29 Cb 0.09 -3.00 0.21 0.00 1.34 0.00 0.00 72.50 71.14 1dgf s THR 29 CO 0.16 0.00 2.04 1.23 -0.54 0.00 0.00 174.62 177.50 1dgf h GLY 30 N -1.67 0.05 -0.97 3.99 0.00 -1.92 -1.66 103.07 100.89 1dgf h GLY 30 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1dgf h GLY 30 CO 0.36 0.02 0.00 0.00 0.00 0.00 0.00 176.54 176.93 1dgf n ALA 31 N -2.51 2.56 -1.00 3.60 0.00 -1.26 -4.90 120.51 117.00 1dgf n ALA 31 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1dgf n ALA 31 Cb 0.19 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1dgf n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dgf n GLY 32 N 0.68 0.49 3.70 0.00 0.00 -0.62 -5.02 105.19 104.41 1dgf n GLY 32 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1dgf n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dgf s ASN 33 N -2.05 7.29 0.41 1.61 0.02 -1.26 -4.73 114.94 116.22 1dgf s ASN 33 Ca 0.00 1.57 -0.27 0.00 -1.02 0.00 0.00 52.86 53.14 1dgf s ASN 33 Cb 0.00 -2.55 -0.10 0.00 0.02 0.00 0.00 41.25 38.62 1dgf s ASN 33 CO 0.00 -0.34 1.45 -2.65 0.02 0.00 0.00 177.10 175.58 1dgf n PRO 34 N 4.41 2.46 -3.86 -0.60 -0.02 -1.26 -0.67 135.00 135.45 1dgf n PRO 34 Ca 0.07 0.87 -0.35 0.00 -2.02 0.00 0.00 63.50 62.06 1dgf n PRO 34 Cb 0.50 -2.62 -0.10 0.00 -0.02 0.00 0.00 33.50 31.25 1dgf n PRO 34 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dgf s VAL 35 N -1.15 4.84 0.04 -1.45 1.01 0.11 -4.85 120.40 118.95 1dgf s VAL 35 Ca 0.57 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.37 1dgf s VAL 35 Cb -0.47 -3.22 -0.24 0.00 0.00 0.00 0.00 36.38 32.44 1dgf s VAL 35 CO 0.61 0.40 1.13 1.23 0.00 0.00 0.00 175.10 178.47 1dgf h GLY 36 N 7.26 0.64 -6.48 4.51 0.00 -1.94 -3.45 103.07 103.61 1dgf h GLY 36 Ca -0.37 -1.16 -0.18 0.00 0.00 0.00 0.00 47.33 45.61 1dgf h GLY 36 CO 0.66 1.02 -0.50 -0.35 0.00 0.00 0.00 176.54 177.37 1dgf s ASP 37 N -7.10 0.44 -0.28 0.19 2.15 -1.26 -5.02 116.67 105.79 1dgf s ASP 37 Ca -0.11 0.22 0.11 0.00 0.43 0.00 0.00 52.55 53.20 1dgf s ASP 37 Cb 0.05 0.96 0.57 0.00 -0.30 0.00 0.00 42.92 44.21 1dgf s ASP 37 CO 0.88 -0.30 1.56 1.17 -0.17 0.00 0.00 175.17 178.32 1dgf n LYS 38 N 5.36 2.51 0.00 4.34 4.81 -1.26 -4.43 118.16 129.49 1dgf n LYS 38 Ca -0.05 -3.05 0.01 0.00 -0.87 0.00 0.00 58.31 54.36 1dgf n LYS 38 Cb 0.50 -1.93 -0.01 0.00 0.02 0.00 0.00 35.03 33.60 1dgf n LYS 38 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1dgf n LEU 39 N -0.79 0.32 -3.80 3.14 4.77 -1.26 -5.02 117.00 114.36 1dgf n LEU 39 Ca 0.34 -0.58 -0.13 0.00 -0.03 0.00 0.00 56.01 55.61 1dgf n LEU 39 Cb 1.13 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 42.08 1dgf n LEU 39 CO 0.27 0.07 -0.22 0.20 -1.33 0.00 0.00 177.39 176.38 1dgf s ASN 40 N -1.10 -0.13 0.64 -1.43 0.01 -1.26 -5.17 114.94 106.50 1dgf s ASN 40 Ca 0.01 0.28 -0.07 0.00 -0.71 0.00 0.00 52.86 52.38 1dgf s ASN 40 Cb 0.02 0.24 0.02 0.00 0.41 0.00 0.00 41.25 41.95 1dgf s ASN 40 CO 0.10 -0.08 0.96 0.68 -1.51 0.00 0.00 177.10 177.25 1dgf s VAL 41 N 0.45 3.24 -0.17 1.60 -7.23 -1.26 -4.96 120.40 112.07 1dgf s VAL 41 Ca -0.03 -0.01 -0.24 0.00 -1.81 0.00 0.00 61.98 59.89 1dgf s VAL 41 Cb -0.05 -3.33 -0.02 0.00 0.56 0.00 0.00 36.38 33.55 1dgf s VAL 41 CO -0.02 -0.36 0.79 -0.63 -0.31 0.00 0.00 175.10 174.58 1dgf s ILE 42 N -3.11 4.91 0.21 -0.62 1.01 -1.26 -5.05 121.20 117.29 1dgf s ILE 42 Ca 0.56 1.56 0.04 0.00 0.00 0.00 0.00 60.65 62.81 1dgf s ILE 42 Cb -0.11 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 1dgf s ILE 42 CO 0.46 0.05 -0.03 0.42 0.00 0.00 0.00 174.94 175.84 1dgf s THR 43 N 2.02 1.13 -1.02 2.92 -4.23 -1.26 -2.19 115.64 113.00 1dgf s THR 43 Ca 0.37 -2.05 -0.21 0.00 -1.18 0.00 0.00 61.69 58.62 1dgf s THR 43 Cb -0.17 -2.23 0.09 0.00 1.34 0.00 0.00 72.50 71.53 1dgf s THR 43 CO 0.13 -0.42 1.37 -0.69 -0.54 0.00 0.00 174.62 174.46 1dgf s VAL 44 N -3.36 4.27 0.01 2.29 1.01 -0.62 -4.82 120.40 119.18 1dgf s VAL 44 Ca 0.26 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1dgf s VAL 44 Cb 0.05 -4.97 0.00 0.00 0.00 0.00 0.00 36.38 31.46 1dgf s VAL 44 CO 0.07 -1.79 0.00 0.61 0.00 0.00 0.00 175.10 173.99 1dgf n GLY 45 N 6.15 -1.90 0.28 4.51 0.00 -1.26 -2.41 105.19 110.56 1dgf n GLY 45 Ca 0.32 -1.49 0.13 0.00 0.00 0.00 0.00 46.02 44.97 1dgf n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dgf h PRO 46 N -0.04 0.00 -0.24 1.61 0.13 -2.01 -3.00 132.00 128.45 1dgf h PRO 46 Ca -0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.93 1dgf h PRO 46 Cb 0.03 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.95 1dgf h PRO 46 CO 0.00 0.01 -0.72 0.54 -0.23 0.00 0.00 178.00 177.60 1dgf n ARG 47 N -4.03 1.91 -3.66 0.86 1.74 -1.26 -5.06 116.66 107.15 1dgf n ARG 47 Ca -0.03 -3.36 -0.22 0.00 -0.77 0.00 0.00 57.85 53.47 1dgf n ARG 47 Cb 0.10 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 1dgf n ARG 47 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1dgf s GLY 48 N -3.19 2.18 0.91 -0.13 0.00 -1.01 -5.02 107.32 101.05 1dgf s GLY 48 Ca 0.40 -1.84 -0.11 0.00 0.00 0.00 0.00 44.72 43.17 1dgf s GLY 48 CO -0.05 -1.76 1.09 2.56 0.00 0.00 0.00 173.10 174.94 1dgf s PRO 49 N -4.14 1.14 0.27 2.90 0.04 -1.26 -4.09 135.00 129.86 1dgf s PRO 49 Ca 0.46 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 1dgf s PRO 49 Cb -0.02 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 1dgf s PRO 49 CO 0.27 -2.37 1.00 -1.17 0.04 0.00 0.00 177.00 174.76 1dgf s LEU 50 N -6.35 4.54 0.01 -3.56 2.96 -1.26 -1.59 118.68 113.44 1dgf s LEU 50 Ca 0.64 2.04 -0.07 0.00 -0.22 0.00 0.00 54.13 56.52 1dgf s LEU 50 Cb -0.19 -3.71 -0.05 0.00 0.50 0.00 0.00 46.19 42.74 1dgf s LEU 50 CO 0.58 -0.01 0.28 -0.76 -1.32 0.00 0.00 176.35 175.12 1dgf s LEU 51 N -1.48 4.37 0.43 -0.68 2.01 -0.93 -4.97 118.68 117.42 1dgf s LEU 51 Ca 0.44 0.58 0.15 0.00 0.01 0.00 0.00 54.13 55.32 1dgf s LEU 51 Cb -0.27 -2.70 0.94 0.00 0.01 0.00 0.00 46.19 44.17 1dgf s LEU 51 CO 0.33 0.25 1.94 0.58 1.01 0.00 0.00 176.35 180.46 1dgf h VAL 52 N 3.03 1.12 0.00 -1.59 2.07 -1.97 -2.54 116.25 116.37 1dgf h VAL 52 Ca -0.50 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1dgf h VAL 52 Cb 1.20 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1dgf h VAL 52 CO 0.66 0.24 0.00 0.00 0.02 0.00 0.00 177.57 178.49 1dgf n GLN 53 N -4.17 0.31 -2.72 1.57 10.64 -1.26 -4.03 117.38 117.72 1dgf n GLN 53 Ca -0.02 0.07 -0.43 0.00 -1.83 0.00 0.00 57.00 54.79 1dgf n GLN 53 Cb 0.30 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 28.18 1dgf n GLN 53 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1dgf s ASP 54 N -2.24 6.83 0.31 2.61 3.68 -0.96 -4.71 116.67 122.20 1dgf s ASP 54 Ca 0.16 -2.41 0.16 0.00 2.13 0.00 0.00 52.55 52.59 1dgf s ASP 54 Cb 0.09 -2.51 0.35 0.00 -1.45 0.00 0.00 42.92 39.40 1dgf s ASP 54 CO 0.17 -1.09 1.57 0.58 0.13 0.00 0.00 175.17 176.53 1dgf h VAL 55 N 5.52 0.95 -0.48 1.11 2.07 -1.88 -2.98 116.25 120.56 1dgf h VAL 55 Ca 0.34 -1.98 -0.00 0.00 0.82 0.00 0.00 66.70 65.88 1dgf h VAL 55 Cb 0.91 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 1dgf h VAL 55 CO 1.36 0.47 0.29 0.58 0.02 0.00 0.00 177.57 180.28 1dgf h VAL 56 N 0.00 1.15 0.50 2.57 2.07 -1.94 0.33 116.25 120.92 1dgf h VAL 56 Ca -0.00 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1dgf h VAL 56 Cb 1.18 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1dgf h VAL 56 CO 0.06 0.16 -0.24 0.15 0.02 0.00 0.00 177.57 177.72 1dgf h PHE 57 N 0.64 -0.62 -0.72 1.57 3.57 -1.95 -2.67 116.94 116.77 1dgf h PHE 57 Ca 0.17 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1dgf h PHE 57 Cb 0.01 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 1dgf h PHE 57 CO -0.03 -0.31 0.44 1.15 -2.23 0.00 0.00 178.31 177.33 1dgf h THR 58 N -0.85 1.06 -0.25 4.41 2.02 -1.46 0.12 112.91 117.96 1dgf h THR 58 Ca -0.07 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 66.85 1dgf h THR 58 Cb 0.59 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1dgf h THR 58 CO 0.11 0.15 0.07 -0.78 0.37 0.00 0.00 175.52 175.44 1dgf h ASP 59 N 0.84 0.05 -0.16 4.18 1.82 -0.96 0.23 116.42 122.42 1dgf h ASP 59 Ca 0.30 0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.90 1dgf h ASP 59 Cb 0.08 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.12 1dgf h ASP 59 CO -0.13 0.06 -0.17 -0.08 -1.61 0.00 0.00 179.24 177.30 1dgf h GLU 60 N 0.17 0.40 -0.66 0.28 4.81 -1.11 -3.05 114.58 115.42 1dgf h GLU 60 Ca 0.11 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 1dgf h GLU 60 Cb 0.10 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1dgf h GLU 60 CO -0.14 0.78 0.19 1.98 -0.73 0.00 0.00 179.01 181.09 1dgf h MET 61 N 0.04 1.05 -0.53 1.92 4.05 -0.61 -1.68 114.93 119.18 1dgf h MET 61 Ca 0.02 -0.24 -0.01 0.00 -0.28 0.00 0.00 59.70 59.20 1dgf h MET 61 Cb 0.72 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.34 1dgf h MET 61 CO 0.04 0.92 0.29 0.00 0.23 0.00 0.00 176.91 178.39 1dgf h ALA 62 N 1.08 1.52 -0.04 0.39 0.00 -0.60 0.56 119.26 122.17 1dgf h ALA 62 Ca 0.21 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 1dgf h ALA 62 Cb 0.33 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1dgf h ALA 62 CO -0.00 0.40 -0.94 1.25 0.00 0.00 0.00 179.25 179.96 1dgf h HIS 63 N 0.73 0.91 -0.85 0.00 6.17 -1.38 -3.07 115.15 117.67 1dgf h HIS 63 Ca 0.19 -0.47 0.01 0.00 0.71 0.00 0.00 60.37 60.81 1dgf h HIS 63 Cb 0.02 -0.11 -0.04 0.00 2.52 0.00 0.00 27.41 29.79 1dgf h HIS 63 CO 0.00 1.30 0.56 0.35 0.71 0.00 0.00 177.93 180.85 1dgf h PHE 64 N 0.38 1.07 0.00 5.26 3.57 -0.70 -1.41 116.94 125.11 1dgf h PHE 64 Ca -0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1dgf h PHE 64 Cb 1.58 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1dgf h PHE 64 CO 0.08 0.66 0.00 -0.25 -2.23 0.00 0.00 178.31 176.58 1dgf n ASP 65 N -4.50 0.61 -0.27 0.41 10.43 0.13 -2.56 116.55 120.80 1dgf n ASP 65 Ca 0.09 0.72 0.06 0.00 2.57 0.00 0.00 54.79 58.23 1dgf n ASP 65 Cb 0.02 -0.82 0.11 0.00 1.84 0.00 0.00 41.12 42.28 1dgf n ASP 65 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1dgf n ARG 66 N -2.25 2.37 -0.05 -1.24 1.74 -0.56 -4.79 116.66 111.89 1dgf n ARG 66 Ca 0.00 -2.18 -0.00 0.00 -0.77 0.00 0.00 57.85 54.90 1dgf n ARG 66 Cb 0.12 -1.35 0.28 0.00 -1.02 0.00 0.00 32.46 30.49 1dgf n ARG 66 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1dgf h GLU 67 N 0.60 0.64 -6.57 5.56 5.08 -1.21 -3.44 114.58 115.23 1dgf h GLU 67 Ca 0.00 -0.11 -0.52 0.00 -1.00 0.00 0.00 59.36 57.73 1dgf h GLU 67 Cb 0.87 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1dgf h GLU 67 CO 0.04 0.59 0.22 1.03 -1.00 0.00 0.00 179.01 179.88 1dgf s ARG 68 N -5.15 4.63 0.26 2.33 1.81 -1.26 -5.08 118.95 116.48 1dgf s ARG 68 Ca -0.08 1.23 0.08 0.00 -1.72 0.00 0.00 55.73 55.24 1dgf s ARG 68 Cb 0.16 -3.27 -0.05 0.00 -0.45 0.00 0.00 34.95 31.34 1dgf s ARG 68 CO 0.77 0.56 -0.12 0.96 -0.68 0.00 0.00 175.30 176.79 1dgf s ILE 69 N -1.15 1.91 0.34 1.52 -4.36 -1.26 -5.10 121.20 113.10 1dgf s ILE 69 Ca 0.37 -2.22 -0.29 0.00 -0.26 0.00 0.00 60.65 58.25 1dgf s ILE 69 Cb -0.24 -2.30 -0.11 0.00 1.25 0.00 0.00 42.46 41.06 1dgf s ILE 69 CO 0.27 -0.41 1.49 -2.65 0.24 0.00 0.00 174.94 173.88 1dgf n PRO 70 N -0.54 2.58 -1.76 0.37 -0.02 -1.26 -4.98 135.00 129.39 1dgf n PRO 70 Ca -0.06 0.91 -0.30 0.00 -2.02 0.00 0.00 63.50 62.03 1dgf n PRO 70 Cb 0.62 -2.63 0.06 0.00 -0.02 0.00 0.00 33.50 31.52 1dgf n PRO 70 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1dgf s GLU 71 N -1.57 2.68 0.33 -0.52 -1.05 -1.26 -4.95 118.70 112.36 1dgf s GLU 71 Ca 0.57 0.57 -0.29 0.00 -0.15 0.00 0.00 54.97 55.68 1dgf s GLU 71 Cb -0.50 -1.99 -0.12 0.00 -0.44 0.00 0.00 34.13 31.08 1dgf s GLU 71 CO 0.59 -1.19 1.46 0.54 0.95 0.00 0.00 175.26 177.61 1dgf n ARG 72 N -3.13 2.49 0.02 -4.83 1.74 -1.26 -4.86 116.66 106.83 1dgf n ARG 72 Ca 0.07 0.88 0.14 0.00 -0.77 0.00 0.00 57.85 58.17 1dgf n ARG 72 Cb 0.56 -2.58 0.60 0.00 -1.02 0.00 0.00 32.46 30.02 1dgf n ARG 72 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1dgf h VAL 73 N 2.97 0.86 -3.97 1.55 3.04 -1.98 -3.37 116.25 115.35 1dgf h VAL 73 Ca -0.48 -0.06 -0.12 0.00 -1.01 0.00 0.00 66.70 65.03 1dgf h VAL 73 Cb 1.25 0.67 -0.17 0.00 -2.01 0.00 0.00 31.29 31.04 1dgf h VAL 73 CO 0.69 0.03 -0.58 0.68 -1.01 0.00 0.00 177.57 177.38 1dgf s VAL 74 N -5.19 0.16 -1.37 1.51 -7.23 -1.26 -4.88 120.40 102.15 1dgf s VAL 74 Ca -0.06 -1.33 -0.03 0.00 -1.81 0.00 0.00 61.98 58.74 1dgf s VAL 74 Cb 0.19 -1.10 0.00 0.00 0.56 0.00 0.00 36.38 36.03 1dgf s VAL 74 CO 0.73 -0.74 0.43 1.41 -0.31 0.00 0.00 175.10 176.62 1dgf n HIS 75 N 0.52 -1.54 -0.04 2.82 -0.00 -0.17 -4.92 115.22 111.89 1dgf n HIS 75 Ca -0.17 0.37 -0.01 0.00 -0.00 0.00 0.00 57.72 57.90 1dgf n HIS 75 Cb 0.59 -3.92 0.25 0.00 -0.00 0.00 0.00 29.99 26.92 1dgf n HIS 75 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1dgf h ALA 76 N 0.85 1.30 -2.34 -1.41 0.00 -1.72 -3.42 119.26 112.52 1dgf h ALA 76 Ca -0.45 -0.21 -0.64 0.00 0.00 0.00 0.00 54.91 53.61 1dgf h ALA 76 Cb 1.31 -0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 1dgf h ALA 76 CO 0.49 0.48 0.08 0.21 0.00 0.00 0.00 179.25 180.51 1dgf s LYS 77 N -5.01 3.61 0.35 0.00 2.47 -1.26 -4.58 119.74 115.32 1dgf s LYS 77 Ca -0.08 -0.07 -0.08 0.00 -1.56 0.00 0.00 55.97 54.17 1dgf s LYS 77 Cb 0.15 -3.83 0.03 0.00 -1.46 0.00 0.00 37.83 32.73 1dgf s LYS 77 CO 0.78 -0.74 0.61 0.41 0.16 0.00 0.00 175.35 176.57 1dgf n GLY 78 N 4.75 1.55 3.04 5.54 0.00 -1.26 -1.85 105.19 116.96 1dgf n GLY 78 Ca -0.02 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 1dgf n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dgf s ALA 79 N -2.31 0.50 0.13 4.61 0.00 0.12 -4.91 121.76 119.88 1dgf s ALA 79 Ca 0.20 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.52 1dgf s ALA 79 Cb -0.03 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1dgf s ALA 79 CO 0.15 -0.03 -0.13 0.20 0.00 0.00 0.00 175.76 175.94 1dgf s GLY 80 N -1.45 1.08 0.21 0.00 0.00 -1.26 -0.09 107.32 105.81 1dgf s GLY 80 Ca -0.10 -1.32 -0.19 0.00 0.00 0.00 0.00 44.72 43.10 1dgf s GLY 80 CO 0.00 -1.39 0.59 0.00 0.00 0.00 0.00 173.10 172.30 1dgf s ALA 81 N -2.31 -1.14 0.18 3.20 0.00 -0.69 -4.41 121.76 116.59 1dgf s ALA 81 Ca 0.10 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.01 1dgf s ALA 81 Cb -0.04 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 1dgf s ALA 81 CO 0.03 -0.86 -0.06 -0.06 0.00 0.00 0.00 175.76 174.81 1dgf s PHE 82 N -3.86 1.40 0.00 0.00 0.40 0.31 -0.85 117.98 115.39 1dgf s PHE 82 Ca 0.08 -0.82 0.00 0.00 -0.60 0.00 0.00 56.93 55.59 1dgf s PHE 82 Cb -0.02 -0.75 0.00 0.00 0.51 0.00 0.00 43.02 42.76 1dgf s PHE 82 CO -0.02 0.04 0.00 0.41 0.70 0.00 0.00 175.22 176.35 1dgf n GLY 83 N -0.29 -0.75 3.38 4.36 0.00 -0.67 -1.12 105.19 110.09 1dgf n GLY 83 Ca -0.08 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1dgf n GLY 83 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dgf s TYR 84 N -1.82 0.01 -0.09 1.61 -0.85 -0.07 -1.15 117.35 114.99 1dgf s TYR 84 Ca 0.00 -0.36 0.01 0.00 -0.52 0.00 0.00 57.07 56.20 1dgf s TYR 84 Cb 0.00 0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.51 1dgf s TYR 84 CO 0.00 -0.76 -0.12 0.12 -1.52 0.00 0.00 175.55 173.28 1dgf s PHE 85 N -3.87 2.81 -0.06 -3.49 5.36 0.35 -0.92 117.98 118.15 1dgf s PHE 85 Ca 0.09 -0.28 0.02 0.00 -0.96 0.00 0.00 56.93 55.80 1dgf s PHE 85 Cb 0.02 -1.74 0.01 0.00 -0.34 0.00 0.00 43.02 40.97 1dgf s PHE 85 CO -0.06 0.07 -0.13 -2.00 -1.46 0.00 0.00 175.22 171.65 1dgf s GLU 86 N -0.32 1.73 0.04 10.12 2.12 -0.20 -0.90 118.70 131.29 1dgf s GLU 86 Ca 0.03 -0.43 -0.30 0.00 0.36 0.00 0.00 54.97 54.63 1dgf s GLU 86 Cb -0.13 -1.43 -0.05 0.00 0.26 0.00 0.00 34.13 32.79 1dgf s GLU 86 CO 0.02 0.04 1.13 0.08 -0.54 0.00 0.00 175.26 176.00 1dgf s VAL 87 N 0.61 4.30 -0.02 3.70 1.01 -0.49 -0.82 120.40 128.69 1dgf s VAL 87 Ca -0.14 1.65 0.05 0.00 0.00 0.00 0.00 61.98 63.54 1dgf s VAL 87 Cb -0.15 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 1dgf s VAL 87 CO 0.04 0.13 0.12 0.35 0.00 0.00 0.00 175.10 175.73 1dgf n THR 88 N 3.92 0.00 -4.16 3.92 -2.24 0.33 -0.14 114.28 115.91 1dgf n THR 88 Ca 0.08 -0.13 -0.11 0.00 -2.27 0.00 0.00 64.05 61.62 1dgf n THR 88 Cb 0.48 0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 69.02 1dgf n THR 88 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1dgf s HIS 89 N -2.31 0.86 -0.39 4.78 3.76 -0.72 -4.90 115.29 116.38 1dgf s HIS 89 Ca -0.02 -0.86 -0.20 0.00 -0.15 0.00 0.00 55.06 53.84 1dgf s HIS 89 Cb 0.03 -0.50 0.01 0.00 1.11 0.00 0.00 32.58 33.23 1dgf s HIS 89 CO 0.21 -0.14 0.58 0.34 -0.85 0.00 0.00 174.74 174.89 1dgf s ASP 90 N -2.85 6.34 -0.13 1.40 -1.08 -1.26 -4.76 116.67 114.32 1dgf s ASP 90 Ca 0.09 -0.15 0.15 0.00 -0.52 0.00 0.00 52.55 52.12 1dgf s ASP 90 Cb 0.03 -2.30 0.30 0.00 -1.46 0.00 0.00 42.92 39.50 1dgf s ASP 90 CO -0.04 -0.62 1.15 2.30 0.52 0.00 0.00 175.17 178.48 1dgf n ILE 91 N 5.62 1.73 0.27 4.11 -5.35 -1.26 -4.74 119.36 119.74 1dgf n ILE 91 Ca -0.03 -2.26 0.11 0.00 -0.27 0.00 0.00 62.75 60.30 1dgf n ILE 91 Cb 0.48 -0.13 0.53 0.00 -1.74 0.00 0.00 39.64 38.79 1dgf n ILE 91 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1dgf n THR 92 N -1.15 0.96 0.28 7.28 -2.24 -1.26 -0.76 114.28 117.38 1dgf n THR 92 Ca 0.15 0.50 0.16 0.00 -2.27 0.00 0.00 64.05 62.58 1dgf n THR 92 Cb 0.68 -1.46 0.56 0.00 -2.10 0.00 0.00 70.33 68.00 1dgf n THR 92 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1dgf h LYS 93 N 0.00 0.00 0.00 -0.78 2.10 -2.00 -3.31 116.57 112.58 1dgf h LYS 93 Ca 0.00 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.36 1dgf h LYS 93 Cb 0.17 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.45 1dgf h LYS 93 CO 0.00 0.00 -2.09 0.66 -2.00 0.00 0.00 179.45 176.02 1dgf n TYR 94 N -3.05 0.00 -4.17 0.07 0.53 0.06 -4.77 117.16 105.83 1dgf n TYR 94 Ca 0.01 0.00 -0.18 0.00 -1.02 0.00 0.00 57.90 56.72 1dgf n TYR 94 Cb 0.35 -0.73 -0.15 0.00 -1.03 0.00 0.00 39.34 37.78 1dgf n TYR 94 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1dgf s SER 95 N -6.00 0.77 0.00 7.72 0.15 -0.64 -2.95 113.70 112.75 1dgf s SER 95 Ca -0.26 -0.11 0.28 0.00 0.70 0.00 0.00 55.95 56.56 1dgf s SER 95 Cb 0.07 -0.25 1.02 0.00 -1.71 0.00 0.00 66.02 65.16 1dgf s SER 95 CO 0.42 0.01 1.73 2.29 1.20 0.00 0.00 173.24 178.89 1dgf n LYS 96 N 3.51 1.56 -1.63 5.44 2.85 -0.32 -4.15 118.16 125.42 1dgf n LYS 96 Ca -0.20 -0.90 -0.48 0.00 -1.05 0.00 0.00 58.31 55.68 1dgf n LYS 96 Cb 0.54 -1.48 -0.04 0.00 -0.65 0.00 0.00 35.03 33.40 1dgf n LYS 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1dgf n ALA 97 N 0.07 0.30 0.07 0.58 0.00 -1.21 -4.83 120.51 115.48 1dgf n ALA 97 Ca 0.18 0.46 0.15 0.00 0.00 0.00 0.00 53.44 54.23 1dgf n ALA 97 Cb 0.35 -2.20 0.65 0.00 0.00 0.00 0.00 19.45 18.25 1dgf n ALA 97 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1dgf h LYS 98 N 4.60 0.06 -0.02 0.00 1.57 -1.93 -1.20 116.57 119.65 1dgf h LYS 98 Ca -0.45 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.33 1dgf h LYS 98 Cb 1.30 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 1dgf h LYS 98 CO 0.79 0.04 0.05 -0.24 -0.57 0.00 0.00 179.45 179.52 1dgf h VAL 99 N 0.06 0.19 -0.07 0.50 3.04 -1.95 -1.75 116.25 116.27 1dgf h VAL 99 Ca 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.87 1dgf h VAL 99 Cb 0.63 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 1dgf h VAL 99 CO -0.01 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.04 1dgf n PHE 100 N -3.34 0.09 -0.24 3.17 3.72 -0.46 -4.80 117.46 115.59 1dgf n PHE 100 Ca -0.02 -0.11 0.32 0.00 -0.05 0.00 0.00 57.45 57.59 1dgf n PHE 100 Cb 0.13 -0.01 0.71 0.00 -0.94 0.00 0.00 39.48 39.37 1dgf n PHE 100 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1dgf h GLU 101 N 1.88 0.00 -2.03 -1.08 4.11 -1.19 -3.43 114.58 112.84 1dgf h GLU 101 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1dgf h GLU 101 Cb 0.47 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.52 1dgf h GLU 101 CO 0.00 0.00 0.16 -3.38 0.07 0.00 0.00 179.01 175.86 1dgf s HIS 102 N -4.79 -0.69 0.24 2.06 -3.43 -1.26 -5.02 115.29 102.40 1dgf s HIS 102 Ca -0.04 1.37 -0.31 0.00 -0.80 0.00 0.00 55.06 55.27 1dgf s HIS 102 Cb 0.20 0.36 -0.11 0.00 -1.43 0.00 0.00 32.58 31.59 1dgf s HIS 102 CO 0.71 -0.53 1.65 0.42 -2.00 0.00 0.00 174.74 174.99 1dgf s ILE 103 N -0.68 2.12 0.00 -5.38 1.01 -1.26 -1.78 121.20 115.23 1dgf s ILE 103 Ca -0.07 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1dgf s ILE 103 Cb -0.02 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1dgf s ILE 103 CO 0.07 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1dgf n GLY 104 N 3.17 2.05 3.71 6.18 0.00 0.80 -4.99 105.19 116.11 1dgf n GLY 104 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1dgf n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dgf s LYS 105 N -0.92 4.18 -0.11 1.61 2.20 -0.73 -4.65 119.74 121.32 1dgf s LYS 105 Ca 0.00 2.43 -0.02 0.00 -0.36 0.00 0.00 55.97 58.02 1dgf s LYS 105 Cb 0.00 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 1dgf s LYS 105 CO 0.00 -0.70 -0.05 0.15 -0.36 0.00 0.00 175.35 174.40 1dgf s LYS 106 N 1.75 3.19 -0.07 4.03 1.02 -1.26 -1.40 119.74 127.01 1dgf s LYS 106 Ca 0.73 -0.52 0.02 0.00 0.02 0.00 0.00 55.97 56.23 1dgf s LYS 106 Cb -0.44 -2.76 0.01 0.00 -0.52 0.00 0.00 37.83 34.12 1dgf s LYS 106 CO 0.32 0.48 -0.12 0.99 -0.92 0.00 0.00 175.35 176.10 1dgf s THR 107 N -0.30 1.17 0.43 2.17 2.01 -0.08 -4.95 115.64 116.08 1dgf s THR 107 Ca 0.05 -0.49 -0.25 0.00 0.31 0.00 0.00 61.69 61.30 1dgf s THR 107 Cb -0.13 -1.07 -0.08 0.00 0.01 0.00 0.00 72.50 71.24 1dgf s THR 107 CO 0.02 0.36 1.35 -2.84 -0.69 0.00 0.00 174.62 172.82 1dgf s PRO 108 N 0.69 3.82 0.10 4.92 0.02 -1.26 -0.49 135.00 142.80 1dgf s PRO 108 Ca -0.14 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.16 1dgf s PRO 108 Cb -0.16 -2.68 -0.04 0.00 0.02 0.00 0.00 34.50 31.64 1dgf s PRO 108 CO 0.03 -0.65 -0.09 0.96 -0.33 0.00 0.00 177.00 176.93 1dgf s ILE 109 N -1.25 0.90 -0.03 2.83 -4.36 -0.30 -1.71 121.20 117.29 1dgf s ILE 109 Ca 0.59 -1.74 0.04 0.00 -0.26 0.00 0.00 60.65 59.28 1dgf s ILE 109 Cb -0.40 -1.46 -0.00 0.00 1.25 0.00 0.00 42.46 41.84 1dgf s ILE 109 CO 0.51 -0.64 -0.15 0.00 0.24 0.00 0.00 174.94 174.90 1dgf s ALA 110 N -2.77 1.29 0.03 2.27 0.00 -0.50 -1.67 121.76 120.40 1dgf s ALA 110 Ca 0.08 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.48 1dgf s ALA 110 Cb -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1dgf s ALA 110 CO -0.01 0.26 -0.10 0.08 0.00 0.00 0.00 175.76 175.98 1dgf s VAL 111 N -0.05 0.79 -0.05 0.00 1.01 -0.03 -0.35 120.40 121.72 1dgf s VAL 111 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1dgf s VAL 111 Cb -0.09 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.57 1dgf s VAL 111 CO 0.01 -0.07 -0.03 -0.60 0.00 0.00 0.00 175.10 174.41 1dgf s ARG 112 N -1.01 0.70 0.16 2.72 3.52 -0.90 -1.70 118.95 122.44 1dgf s ARG 112 Ca -0.02 -0.03 0.04 0.00 -0.13 0.00 0.00 55.73 55.60 1dgf s ARG 112 Cb -0.07 -0.82 -0.04 0.00 -1.56 0.00 0.00 34.95 32.46 1dgf s ARG 112 CO 0.01 -0.14 0.16 -0.06 -0.81 0.00 0.00 175.30 174.46 1dgf s PHE 113 N 1.18 3.22 0.06 5.12 0.40 0.87 -2.03 117.98 126.80 1dgf s PHE 113 Ca -0.07 0.01 -0.28 0.00 -0.60 0.00 0.00 56.93 56.00 1dgf s PHE 113 Cb -0.14 -1.55 0.09 0.00 0.51 0.00 0.00 43.02 41.93 1dgf s PHE 113 CO -0.01 0.52 1.04 -1.54 0.70 0.00 0.00 175.22 175.92 1dgf s SER 114 N -3.10 -0.18 0.12 1.36 1.04 -0.95 -0.71 113.70 111.29 1dgf s SER 114 Ca 0.32 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1dgf s SER 114 Cb -0.10 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1dgf s SER 114 CO 0.24 -0.67 0.00 0.35 0.98 0.00 0.00 173.24 174.15 1dgf n THR 115 N -0.41 0.00 0.05 2.02 -2.24 -0.77 -0.24 114.28 112.70 1dgf n THR 115 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1dgf n THR 115 Cb 0.61 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 1dgf n THR 115 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1dgf n VAL 116 N -0.55 1.05 0.09 2.28 0.31 -1.26 -3.90 118.33 116.35 1dgf n VAL 116 Ca 0.00 0.35 -0.22 0.00 -0.01 0.00 0.00 64.34 64.46 1dgf n VAL 116 Cb 0.00 -1.50 -0.13 0.00 -0.91 0.00 0.00 33.84 31.30 1dgf n VAL 116 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dgf h ALA 117 N 0.00 0.01 -2.96 3.52 0.00 -1.93 -0.43 119.26 117.46 1dgf h ALA 117 Ca 0.00 -0.78 -0.54 0.00 0.00 0.00 0.00 54.91 53.59 1dgf h ALA 117 Cb 0.08 0.10 0.13 0.00 0.00 0.00 0.00 17.79 18.10 1dgf h ALA 117 CO 0.00 0.72 0.54 0.20 0.00 0.00 0.00 179.25 180.70 1dgf s GLY 118 N -4.46 2.83 0.94 0.00 0.00 -1.26 -4.91 107.32 100.46 1dgf s GLY 118 Ca -0.09 1.18 -0.15 0.00 0.00 0.00 0.00 44.72 45.67 1dgf s GLY 118 CO 0.93 1.63 1.29 -0.54 0.00 0.00 0.00 173.10 176.41 1dgf s GLU 119 N -3.12 0.76 0.31 2.90 8.01 -1.26 -3.98 118.70 122.31 1dgf s GLU 119 Ca 0.75 -0.47 -0.29 0.00 0.01 0.00 0.00 54.97 54.97 1dgf s GLU 119 Cb -0.36 -1.89 -0.11 0.00 -4.31 0.00 0.00 34.13 27.46 1dgf s GLU 119 CO 0.40 -2.31 1.45 -1.12 0.01 0.00 0.00 175.26 173.69 1dgf s SER 120 N -4.87 6.56 0.00 -0.19 0.01 -1.26 -1.72 113.70 112.23 1dgf s SER 120 Ca 0.73 2.81 0.00 0.00 1.31 0.00 0.00 55.95 60.80 1dgf s SER 120 Cb -0.04 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1dgf s SER 120 CO 0.52 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1dgf n GLY 121 N 1.46 2.82 3.36 3.44 0.00 -1.26 -5.03 105.19 109.98 1dgf n GLY 121 Ca 0.04 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1dgf n GLY 121 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dgf n SER 122 N 0.15 -2.08 -4.82 1.61 3.41 -0.70 -4.97 113.62 106.22 1dgf n SER 122 Ca 0.00 -0.11 -0.34 0.00 -0.26 0.00 0.00 58.87 58.16 1dgf n SER 122 Cb 0.00 -1.09 -0.07 0.00 -0.26 0.00 0.00 64.21 62.79 1dgf n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dgf s ALA 123 N -2.31 3.19 0.03 7.33 0.00 -1.26 -4.82 121.76 123.92 1dgf s ALA 123 Ca 0.61 0.31 -0.18 0.00 0.00 0.00 0.00 51.96 52.70 1dgf s ALA 123 Cb -0.18 -3.02 -0.22 0.00 0.00 0.00 0.00 23.12 19.70 1dgf s ALA 123 CO 0.66 0.22 1.14 -0.44 0.00 0.00 0.00 175.76 177.33 1dgf h ASP 124 N 2.48 0.63 -0.50 0.00 3.32 -0.90 -3.38 116.42 118.06 1dgf h ASP 124 Ca -0.48 -0.73 -0.71 0.00 0.02 0.00 0.00 57.03 55.13 1dgf h ASP 124 Cb 1.18 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.50 1dgf h ASP 124 CO 0.63 1.28 3.15 0.35 -1.72 0.00 0.00 179.24 182.93 1dgf n THR 125 N -4.15 4.54 -4.38 0.35 -2.24 -1.26 -4.91 114.28 102.23 1dgf n THR 125 Ca -0.10 -3.37 -0.20 0.00 -2.27 0.00 0.00 64.05 58.11 1dgf n THR 125 Cb 0.70 -2.41 -0.10 0.00 -2.10 0.00 0.00 70.33 66.42 1dgf n THR 125 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1dgf s VAL 126 N 1.01 1.98 -0.01 2.28 -7.23 -1.26 -4.50 120.40 112.67 1dgf s VAL 126 Ca 0.60 -2.26 -0.30 0.00 -1.81 0.00 0.00 61.98 58.20 1dgf s VAL 126 Cb 0.17 -2.12 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 1dgf s VAL 126 CO -0.07 -0.52 1.39 -0.60 -0.31 0.00 0.00 175.10 174.99 1dgf s ARG 127 N -3.55 4.28 0.00 4.82 3.52 -1.26 -4.71 118.95 122.05 1dgf s ARG 127 Ca 0.24 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 57.79 1dgf s ARG 127 Cb -0.02 -3.58 0.00 0.00 -1.56 0.00 0.00 34.95 29.79 1dgf s ARG 127 CO 0.09 -0.57 0.00 -3.47 -0.81 0.00 0.00 175.30 170.54 1dgf n ASP 128 N 5.41 0.00 -4.68 -2.12 4.64 -1.12 -5.04 116.55 113.64 1dgf n ASP 128 Ca 0.13 0.00 -0.29 0.00 -1.38 0.00 0.00 54.79 53.25 1dgf n ASP 128 Cb 0.44 0.00 0.17 0.00 -1.04 0.00 0.00 41.12 40.69 1dgf n ASP 128 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 1dgf s PRO 129 N -2.00 0.42 -0.08 -0.67 0.02 -1.26 -4.75 135.00 126.69 1dgf s PRO 129 Ca 0.00 0.44 0.03 0.00 0.02 0.00 0.00 61.00 61.49 1dgf s PRO 129 Cb 0.00 -1.74 0.01 0.00 0.02 0.00 0.00 34.50 32.78 1dgf s PRO 129 CO 0.00 -2.72 -0.18 1.03 -0.33 0.00 0.00 177.00 174.80 1dgf s ARG 130 N -5.02 2.37 0.41 5.54 1.81 -1.26 -4.01 118.95 118.79 1dgf s ARG 130 Ca 0.65 -0.66 -0.23 0.00 -1.72 0.00 0.00 55.73 53.78 1dgf s ARG 130 Cb -0.18 -1.86 -0.10 0.00 -0.45 0.00 0.00 34.95 32.37 1dgf s ARG 130 CO 0.57 0.12 1.00 0.20 -0.68 0.00 0.00 175.30 176.52 1dgf s GLY 131 N 0.45 2.60 -0.47 -3.53 0.00 0.67 -0.41 107.32 106.64 1dgf s GLY 131 Ca -0.16 0.57 0.06 0.00 0.00 0.00 0.00 44.72 45.19 1dgf s GLY 131 CO 0.06 0.94 0.60 0.33 0.00 0.00 0.00 173.10 175.03 1dgf n PHE 132 N -0.32 -2.51 -3.37 1.90 -0.00 0.03 -2.23 117.46 110.96 1dgf n PHE 132 Ca 0.06 -2.25 -0.38 0.00 -0.00 0.00 0.00 57.45 54.88 1dgf n PHE 132 Cb 0.52 0.93 -0.06 0.00 -0.00 0.00 0.00 39.48 40.86 1dgf n PHE 132 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1dgf s ALA 133 N 0.39 3.57 -0.11 3.13 0.00 -0.86 -2.36 121.76 125.52 1dgf s ALA 133 Ca 0.32 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1dgf s ALA 133 Cb 0.06 -2.56 0.01 0.00 0.00 0.00 0.00 23.12 20.63 1dgf s ALA 133 CO -0.13 0.23 -0.18 0.08 0.00 0.00 0.00 175.76 175.76 1dgf s VAL 134 N -0.25 1.67 -0.28 0.00 1.01 -0.00 -2.13 120.40 120.42 1dgf s VAL 134 Ca 0.26 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 1dgf s VAL 134 Cb -0.16 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.73 1dgf s VAL 134 CO 0.13 0.47 0.06 -0.75 0.00 0.00 0.00 175.10 175.01 1dgf s LYS 135 N 0.76 3.14 -0.29 2.72 2.20 0.52 -0.57 119.74 128.22 1dgf s LYS 135 Ca -0.11 -0.82 -0.11 0.00 -0.36 0.00 0.00 55.97 54.58 1dgf s LYS 135 Cb -0.16 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 1dgf s LYS 135 CO 0.02 -0.40 0.20 -0.06 -0.36 0.00 0.00 175.35 174.75 1dgf s PHE 136 N 1.49 3.22 -1.01 4.03 0.40 0.45 -1.41 117.98 125.16 1dgf s PHE 136 Ca 0.03 0.02 -0.18 0.00 -0.60 0.00 0.00 56.93 56.20 1dgf s PHE 136 Cb -0.17 -2.40 0.13 0.00 0.51 0.00 0.00 43.02 41.09 1dgf s PHE 136 CO 0.01 -0.21 1.25 0.71 0.70 0.00 0.00 175.22 177.68 1dgf s TYR 137 N 1.75 3.10 0.53 0.36 2.02 -0.69 -1.23 117.35 123.18 1dgf s TYR 137 Ca 0.07 -1.46 0.02 0.00 -0.37 0.00 0.00 57.07 55.33 1dgf s TYR 137 Cb -0.16 -4.36 0.03 0.00 -0.40 0.00 0.00 41.96 37.06 1dgf s TYR 137 CO 0.11 -1.54 0.74 0.95 -1.57 0.00 0.00 175.55 174.23 1dgf s THR 138 N 2.85 2.80 0.22 -0.71 -4.23 -0.93 -4.43 115.64 111.21 1dgf s THR 138 Ca 0.37 -0.70 0.27 0.00 -1.18 0.00 0.00 61.69 60.45 1dgf s THR 138 Cb -0.03 -3.03 0.28 0.00 1.34 0.00 0.00 72.50 71.05 1dgf s THR 138 CO -0.07 -0.02 1.93 -0.33 -0.54 0.00 0.00 174.62 175.59 1dgf h GLU 139 N 0.17 0.00 -1.05 3.99 3.07 -1.95 -1.98 114.58 116.83 1dgf h GLU 139 Ca -0.42 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 57.93 1dgf h GLU 139 Cb 1.29 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 28.94 1dgf h GLU 139 CO 0.51 0.16 0.65 -0.25 -1.40 0.00 0.00 179.01 178.68 1dgf n ASP 140 N -3.40 5.07 0.00 1.42 10.43 -1.26 -4.54 116.55 124.28 1dgf n ASP 140 Ca -0.00 -3.48 0.00 0.00 2.57 0.00 0.00 54.79 53.87 1dgf n ASP 140 Cb 0.35 -0.87 0.00 0.00 1.84 0.00 0.00 41.12 42.44 1dgf n ASP 140 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1dgf n GLY 141 N -0.82 -2.53 3.75 0.44 0.00 -0.74 -4.61 105.19 100.68 1dgf n GLY 141 Ca 0.53 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 1dgf n GLY 141 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dgf s ASN 142 N -2.31 7.49 -0.23 1.61 0.01 -1.26 -2.19 114.94 118.07 1dgf s ASN 142 Ca 0.00 2.07 0.01 0.00 -0.71 0.00 0.00 52.86 54.24 1dgf s ASN 142 Cb 0.00 -2.62 0.04 0.00 0.41 0.00 0.00 41.25 39.08 1dgf s ASN 142 CO 0.00 0.03 -0.13 0.86 -1.51 0.00 0.00 177.10 176.35 1dgf s TRP 143 N -1.13 3.05 -0.32 2.20 -0.00 -0.36 -4.16 118.94 118.21 1dgf s TRP 143 Ca 0.43 -1.91 -0.09 0.00 -0.00 0.00 0.00 56.10 54.53 1dgf s TRP 143 Cb -0.28 -1.96 0.01 0.00 -0.00 0.00 0.00 33.47 31.24 1dgf s TRP 143 CO 0.36 -0.82 0.14 -0.51 -0.00 0.00 0.00 176.95 176.12 1dgf s ASP 144 N 1.22 5.47 -0.65 5.86 -0.00 -0.54 -0.41 116.67 127.62 1dgf s ASP 144 Ca -0.02 -0.68 -0.11 0.00 -0.00 0.00 0.00 52.55 51.74 1dgf s ASP 144 Cb -0.17 -1.97 0.17 0.00 -0.00 0.00 0.00 42.92 40.95 1dgf s ASP 144 CO -0.08 -0.23 0.56 -0.22 -0.00 0.00 0.00 175.17 175.19 1dgf s LEU 145 N 1.57 6.12 -1.22 1.23 2.96 0.26 -4.44 118.68 125.16 1dgf s LEU 145 Ca 0.03 -2.36 -0.14 0.00 -0.22 0.00 0.00 54.13 51.44 1dgf s LEU 145 Cb -0.18 -2.10 0.15 0.00 0.50 0.00 0.00 46.19 44.57 1dgf s LEU 145 CO 0.05 -0.62 1.48 -0.69 -1.32 0.00 0.00 176.35 175.26 1dgf s VAL 146 N 0.69 4.88 0.68 1.68 1.01 -1.26 -0.82 120.40 127.26 1dgf s VAL 146 Ca 0.12 -2.52 0.04 0.00 0.00 0.00 0.00 61.98 59.62 1dgf s VAL 146 Cb -0.20 -4.96 0.13 0.00 0.00 0.00 0.00 36.38 31.35 1dgf s VAL 146 CO -0.04 -1.69 0.94 -0.83 0.00 0.00 0.00 175.10 173.48 1dgf s GLY 147 N 3.06 1.73 0.36 4.51 0.00 -1.00 -4.90 107.32 111.08 1dgf s GLY 147 Ca 0.45 -2.01 0.03 0.00 0.00 0.00 0.00 44.72 43.19 1dgf s GLY 147 CO 0.01 -1.43 0.10 -1.31 0.00 0.00 0.00 173.10 170.46 1dgf s ASN 148 N -4.76 2.42 -0.08 1.64 0.01 -0.86 -0.79 114.94 112.52 1dgf s ASN 148 Ca 0.66 -1.52 0.05 0.00 -0.71 0.00 0.00 52.86 51.34 1dgf s ASN 148 Cb -0.05 0.23 0.29 0.00 0.41 0.00 0.00 41.25 42.13 1dgf s ASN 148 CO 0.43 -0.78 0.94 -0.46 -1.51 0.00 0.00 177.10 175.72 1dgf n ASN 149 N -0.95 2.65 -3.93 -1.22 6.94 0.46 -0.73 115.26 118.48 1dgf n ASN 149 Ca -0.04 -2.32 -0.12 0.00 -0.02 0.00 0.00 54.58 52.08 1dgf n ASN 149 Cb 0.66 -0.56 -0.13 0.00 -2.36 0.00 0.00 39.78 37.39 1dgf n ASN 149 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1dgf s THR 150 N -1.62 0.13 -1.04 5.53 -1.32 -1.26 -4.69 115.64 111.36 1dgf s THR 150 Ca 0.19 -0.35 0.26 0.00 -1.21 0.00 0.00 61.69 60.58 1dgf s THR 150 Cb 0.15 -0.17 0.24 0.00 -1.51 0.00 0.00 72.50 71.20 1dgf s THR 150 CO 0.06 -0.14 1.82 -0.81 -2.21 0.00 0.00 174.62 173.34 1dgf n PRO 151 N 2.56 0.04 -4.30 7.08 -0.04 -1.26 -4.56 135.00 134.52 1dgf n PRO 151 Ca -0.16 0.06 -0.25 0.00 -0.04 0.00 0.00 63.50 63.11 1dgf n PRO 151 Cb 0.58 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.47 1dgf n PRO 151 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1dgf n ILE 152 N -1.48 0.00 -4.19 0.52 -5.35 -1.26 -4.37 119.36 103.23 1dgf n ILE 152 Ca 0.07 -2.26 -0.12 0.00 -0.27 0.00 0.00 62.75 60.17 1dgf n ILE 152 Cb 0.29 0.78 -0.10 0.00 -1.74 0.00 0.00 39.64 38.87 1dgf n ILE 152 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1dgf s PHE 153 N -2.98 1.13 0.27 4.28 2.19 -0.68 -4.99 117.98 117.19 1dgf s PHE 153 Ca 0.18 -1.35 0.17 0.00 0.33 0.00 0.00 56.93 56.26 1dgf s PHE 153 Cb 0.01 -0.53 0.72 0.00 -1.31 0.00 0.00 43.02 41.91 1dgf s PHE 153 CO 0.13 -0.66 1.77 0.74 1.83 0.00 0.00 175.22 179.03 1dgf h PHE 154 N 2.60 0.00 -3.49 10.12 -1.00 -1.89 -3.40 116.94 119.89 1dgf h PHE 154 Ca -0.35 0.00 -0.36 0.00 2.81 0.00 0.00 57.97 60.07 1dgf h PHE 154 Cb 1.25 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.67 1dgf h PHE 154 CO 0.36 0.39 -0.65 0.96 -1.61 0.00 0.00 178.31 177.77 1dgf s ILE 155 N -3.82 0.87 -0.01 -0.55 -4.36 -1.26 -2.47 121.20 109.59 1dgf s ILE 155 Ca -0.01 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1dgf s ILE 155 Cb 0.12 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.47 1dgf s ILE 155 CO 0.70 -0.28 0.70 -2.11 0.24 0.00 0.00 174.94 174.19 1dgf n ARG 156 N -0.40 0.60 -4.03 0.37 1.85 -1.26 -4.58 116.66 109.22 1dgf n ARG 156 Ca -0.04 -0.90 -0.19 0.00 -1.00 0.00 0.00 57.85 55.71 1dgf n ARG 156 Cb 0.64 -1.00 -0.16 0.00 -1.05 0.00 0.00 32.46 30.89 1dgf n ARG 156 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1dgf s ASP 157 N -0.40 0.83 0.57 2.89 2.15 -1.26 -4.19 116.67 117.26 1dgf s ASP 157 Ca 0.00 -0.08 0.29 0.00 0.43 0.00 0.00 52.55 53.19 1dgf s ASP 157 Cb 0.00 -0.36 1.72 0.00 -0.30 0.00 0.00 42.92 43.98 1dgf s ASP 157 CO 0.00 -0.09 2.20 1.55 -0.17 0.00 0.00 175.17 178.67 1dgf h PRO 158 N 7.35 0.00 0.00 4.34 0.13 -1.88 -2.69 132.00 139.25 1dgf h PRO 158 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1dgf h PRO 158 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1dgf h PRO 158 CO 0.44 0.04 0.00 1.51 -0.23 0.00 0.00 178.00 179.76 1dgf n ILE 159 N -3.78 0.99 1.02 -3.56 3.06 -1.26 -1.34 119.36 114.48 1dgf n ILE 159 Ca -0.03 0.39 0.11 0.00 -2.50 0.00 0.00 62.75 60.72 1dgf n ILE 159 Cb 0.13 -1.32 0.08 0.00 0.54 0.00 0.00 39.64 39.07 1dgf n ILE 159 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1dgf n LEU 160 N -2.11 0.91 0.04 9.51 4.32 -1.01 -4.53 117.00 124.14 1dgf n LEU 160 Ca 0.01 -0.31 -0.12 0.00 -0.02 0.00 0.00 56.01 55.58 1dgf n LEU 160 Cb 0.15 -0.11 -0.06 0.00 -1.62 0.00 0.00 43.42 41.78 1dgf n LEU 160 CO 0.15 0.21 0.84 0.15 -1.22 0.00 0.00 177.39 177.52 1dgf h PHE 161 N 0.34 -0.09 -0.84 -1.77 3.04 -1.36 0.37 116.94 116.64 1dgf h PHE 161 Ca 0.00 0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.01 1dgf h PHE 161 Cb 0.53 0.04 -0.06 0.00 2.56 0.00 0.00 35.95 39.02 1dgf h PHE 161 CO 0.00 -0.06 0.52 -1.35 -2.02 0.00 0.00 178.31 175.40 1dgf h PRO 162 N -0.07 0.94 -0.23 6.41 0.11 -1.80 -0.11 132.00 137.25 1dgf h PRO 162 Ca 0.02 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1dgf h PRO 162 Cb 0.09 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 1dgf h PRO 162 CO -0.04 0.62 0.12 0.77 -0.21 0.00 0.00 178.00 179.26 1dgf h SER 163 N 0.97 0.30 -0.37 -2.05 0.02 -1.76 -0.02 113.55 110.63 1dgf h SER 163 Ca 0.36 -0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.22 1dgf h SER 163 Cb 0.12 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1dgf h SER 163 CO -0.15 0.32 0.19 0.15 -1.14 0.00 0.00 176.83 176.20 1dgf h PHE 164 N 0.25 0.35 -0.68 3.45 3.04 -0.38 -0.99 116.94 121.98 1dgf h PHE 164 Ca 0.08 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 1dgf h PHE 164 Cb 0.10 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.47 1dgf h PHE 164 CO -0.03 0.19 0.31 0.82 -2.02 0.00 0.00 178.31 177.59 1dgf h ILE 165 N 0.39 1.23 -0.54 1.41 1.08 -0.82 -2.13 117.51 118.13 1dgf h ILE 165 Ca 0.15 -0.68 0.03 0.00 -0.39 0.00 0.00 64.86 63.97 1dgf h ILE 165 Cb 0.05 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 34.18 1dgf h ILE 165 CO -0.10 0.28 0.32 0.45 -0.69 0.00 0.00 178.15 178.41 1dgf h HIS 166 N 0.96 0.61 0.00 1.37 3.86 -0.60 -1.54 115.15 119.80 1dgf h HIS 166 Ca 0.23 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.44 1dgf h HIS 166 Cb 0.14 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 1dgf h HIS 166 CO 0.01 0.34 -0.12 0.66 0.86 0.00 0.00 177.93 179.68 1dgf h SER 167 N 0.64 0.00 1.20 2.45 4.64 -0.81 -1.98 113.55 119.69 1dgf h SER 167 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1dgf h SER 167 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1dgf h SER 167 CO -0.10 0.12 -0.47 1.56 -0.87 0.00 0.00 176.83 177.07 1dgf h GLN 168 N 0.00 0.00 0.00 4.77 1.08 -0.67 -3.11 115.11 117.18 1dgf h GLN 168 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1dgf h GLN 168 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1dgf h GLN 168 CO 0.02 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.53 1dgf n LYS 169 N -2.41 3.91 -2.87 1.46 5.02 -0.67 -4.92 118.16 117.69 1dgf n LYS 169 Ca 0.03 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.96 1dgf n LYS 169 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.42 1dgf n LYS 169 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1dgf s ARG 170 N 3.79 4.45 0.25 1.97 0.52 -1.26 -4.27 118.95 124.40 1dgf s ARG 170 Ca 0.00 1.18 -0.31 0.00 -0.52 0.00 0.00 55.73 56.08 1dgf s ARG 170 Cb 0.00 -2.73 -0.11 0.00 0.52 0.00 0.00 34.95 32.63 1dgf s ARG 170 CO 0.00 0.26 1.63 1.21 0.02 0.00 0.00 175.30 178.42 1dgf s ASN 171 N -1.72 6.40 0.64 0.23 3.84 0.45 -4.84 114.94 119.95 1dgf s ASN 171 Ca 0.50 2.89 0.39 0.00 0.21 0.00 0.00 52.86 56.85 1dgf s ASN 171 Cb -0.17 -2.62 2.17 0.00 -0.55 0.00 0.00 41.25 40.08 1dgf s ASN 171 CO 0.22 -0.92 2.29 1.55 -2.79 0.00 0.00 177.10 177.45 1dgf h PRO 172 N 5.64 0.00 0.00 0.43 0.13 -1.95 0.32 132.00 136.57 1dgf h PRO 172 Ca -0.45 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.25 1dgf h PRO 172 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 1dgf h PRO 172 CO 0.86 0.00 -2.42 0.94 -0.23 0.00 0.00 178.00 177.14 1dgf n GLN 173 N -3.30 0.55 0.12 0.86 7.27 -1.26 -4.67 117.38 116.95 1dgf n GLN 173 Ca -0.03 0.24 0.01 0.00 0.07 0.00 0.00 57.00 57.30 1dgf n GLN 173 Cb 0.12 -1.43 0.00 0.00 2.41 0.00 0.00 30.24 31.34 1dgf n GLN 173 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1dgf h THR 174 N -0.94 0.90 -0.98 1.69 1.35 -1.96 -3.47 112.91 109.49 1dgf h THR 174 Ca -0.65 -2.29 -0.21 0.00 -0.55 0.00 0.00 66.41 62.70 1dgf h THR 174 Cb 1.56 2.42 -0.05 0.00 -1.73 0.00 0.00 68.15 70.35 1dgf h THR 174 CO -0.39 0.51 -0.23 1.57 -0.25 0.00 0.00 175.52 176.73 1dgf n HIS 175 N -3.20 -0.24 -4.27 4.73 -0.00 0.10 -4.96 115.22 107.38 1dgf n HIS 175 Ca 0.01 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.95 1dgf n HIS 175 Cb 0.76 -2.25 -0.07 0.00 -0.12 0.00 0.00 29.99 28.31 1dgf n HIS 175 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1dgf s LEU 176 N -2.71 3.21 0.48 0.27 1.43 -1.26 -4.69 118.68 115.41 1dgf s LEU 176 Ca 0.00 -0.57 -0.24 0.00 -1.03 0.00 0.00 54.13 52.29 1dgf s LEU 176 Cb 0.00 -1.78 -0.07 0.00 0.03 0.00 0.00 46.19 44.37 1dgf s LEU 176 CO 0.00 0.03 1.33 -0.54 0.23 0.00 0.00 176.35 177.40 1dgf s LYS 177 N -3.41 3.53 -0.27 1.70 -0.14 -1.26 -0.41 119.74 119.48 1dgf s LYS 177 Ca 0.30 2.18 -0.02 0.00 -1.36 0.00 0.00 55.97 57.07 1dgf s LYS 177 Cb -0.07 -2.47 0.08 0.00 -1.68 0.00 0.00 37.83 33.69 1dgf s LYS 177 CO 0.19 -0.86 0.07 0.34 -0.76 0.00 0.00 175.35 174.34 1dgf s ASP 178 N -0.89 3.61 0.55 2.83 -1.08 -1.26 -4.84 116.67 115.60 1dgf s ASP 178 Ca 0.65 -1.32 0.23 0.00 -0.52 0.00 0.00 52.55 51.60 1dgf s ASP 178 Cb -0.39 -0.74 1.49 0.00 -1.46 0.00 0.00 42.92 41.83 1dgf s ASP 178 CO 0.47 -0.37 2.14 -0.65 0.52 0.00 0.00 175.17 177.28 1dgf h PRO 179 N 8.16 0.00 -0.25 4.34 0.11 -1.93 -1.24 132.00 141.19 1dgf h PRO 179 Ca -0.15 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.91 1dgf h PRO 179 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1dgf h PRO 179 CO 0.42 0.00 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.74 1dgf h ASP 180 N 0.00 0.45 -0.11 -2.05 3.45 -1.94 -1.47 116.42 114.75 1dgf h ASP 180 Ca 0.06 -0.34 -0.00 0.00 0.43 0.00 0.00 57.03 57.18 1dgf h ASP 180 Cb 0.28 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 1dgf h ASP 180 CO -0.00 0.69 0.06 0.24 -1.57 0.00 0.00 179.24 178.66 1dgf h MET 181 N 0.21 0.16 0.21 3.56 2.86 -1.56 0.11 114.93 120.48 1dgf h MET 181 Ca 0.07 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1dgf h MET 181 Cb 0.47 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1dgf h MET 181 CO 0.02 0.18 -0.28 0.28 1.06 0.00 0.00 176.91 178.17 1dgf h VAL 182 N 0.09 0.39 0.00 -2.22 2.07 -1.26 -2.65 116.25 112.66 1dgf h VAL 182 Ca 0.04 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 1dgf h VAL 182 Cb 0.07 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1dgf h VAL 182 CO -0.01 0.00 -0.36 -0.50 0.02 0.00 0.00 177.57 176.73 1dgf h TRP 183 N -0.56 0.00 -0.16 1.57 4.06 -1.28 -2.58 115.95 117.01 1dgf h TRP 183 Ca 0.01 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 1dgf h TRP 183 Cb 0.54 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.70 1dgf h TRP 183 CO -0.21 0.29 -0.01 0.22 -3.56 0.00 0.00 178.44 175.17 1dgf h ASP 184 N 0.00 0.29 0.24 -3.49 3.58 -0.74 0.88 116.42 117.18 1dgf h ASP 184 Ca -0.01 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.10 1dgf h ASP 184 Cb 1.23 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.21 1dgf h ASP 184 CO 0.04 0.55 -0.12 0.15 -2.88 0.00 0.00 179.24 176.98 1dgf h PHE 185 N 0.03 -0.30 -0.82 0.28 3.04 -1.51 -1.35 116.94 116.31 1dgf h PHE 185 Ca 0.04 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 1dgf h PHE 185 Cb 0.41 0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.98 1dgf h PHE 185 CO 0.04 -0.13 0.48 -1.49 -2.02 0.00 0.00 178.31 175.19 1dgf h TRP 186 N -0.39 1.09 -0.07 0.41 6.55 -1.44 -0.34 115.95 121.76 1dgf h TRP 186 Ca -0.03 -0.01 -0.11 0.00 0.95 0.00 0.00 58.89 59.69 1dgf h TRP 186 Cb 0.30 -0.36 -0.01 0.00 -0.86 0.00 0.00 29.16 28.23 1dgf h TRP 186 CO -0.04 0.74 -0.45 0.66 -1.05 0.00 0.00 178.44 178.30 1dgf h SER 187 N 1.13 0.18 1.65 -3.49 4.64 -0.73 -2.78 113.55 114.15 1dgf h SER 187 Ca 0.29 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.47 1dgf h SER 187 Cb -0.02 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1dgf h SER 187 CO -0.05 0.61 -0.29 -0.07 -0.87 0.00 0.00 176.83 176.15 1dgf h LEU 188 N 0.14 0.00 -6.84 5.97 3.38 -0.92 -3.38 115.31 113.67 1dgf h LEU 188 Ca 0.01 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.37 1dgf h LEU 188 Cb 0.85 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.18 1dgf h LEU 188 CO 0.07 0.29 -0.59 0.54 0.09 0.00 0.00 178.44 178.84 1dgf n ARG 189 N -3.19 1.96 0.00 1.13 5.12 -0.16 -4.96 116.66 116.57 1dgf n ARG 189 Ca 0.03 -4.50 0.01 0.00 -1.93 0.00 0.00 57.85 51.45 1dgf n ARG 189 Cb 0.64 -2.26 0.03 0.00 -1.16 0.00 0.00 32.46 29.71 1dgf n ARG 189 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1dgf n PRO 190 N 1.69 0.01 0.29 5.56 -0.04 -1.22 -1.87 135.00 139.42 1dgf n PRO 190 Ca 0.23 0.42 0.20 0.00 -0.04 0.00 0.00 63.50 64.30 1dgf n PRO 190 Cb 0.37 -1.50 0.96 0.00 -0.04 0.00 0.00 33.50 33.29 1dgf n PRO 190 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1dgf h GLU 191 N 0.00 0.00 0.00 0.54 9.09 -1.86 -1.29 114.58 121.06 1dgf h GLU 191 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1dgf h GLU 191 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 1dgf h GLU 191 CO 0.00 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 177.93 1dgf n SER 192 N -2.96 0.26 -0.26 3.06 3.41 -0.78 -3.99 113.62 112.36 1dgf n SER 192 Ca -0.01 0.55 0.06 0.00 -0.26 0.00 0.00 58.87 59.21 1dgf n SER 192 Cb 0.15 -0.61 0.20 0.00 -0.26 0.00 0.00 64.21 63.68 1dgf n SER 192 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1dgf h LEU 193 N 0.00 0.19 0.26 1.04 3.38 -1.47 -0.49 115.31 118.21 1dgf h LEU 193 Ca 0.00 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1dgf h LEU 193 Cb 0.36 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1dgf h LEU 193 CO 0.00 0.04 -0.13 -0.74 0.09 0.00 0.00 178.44 177.70 1dgf h HIS 194 N 0.37 -0.33 0.00 1.13 2.76 -1.80 -1.56 115.15 115.73 1dgf h HIS 194 Ca 0.43 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.47 1dgf h HIS 194 Cb 0.71 0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.76 1dgf h HIS 194 CO -0.20 -0.16 -0.60 0.37 -1.30 0.00 0.00 177.93 176.04 1dgf h GLN 195 N -0.41 0.00 -0.53 5.26 5.75 -1.73 -2.71 115.11 120.74 1dgf h GLN 195 Ca -0.04 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.38 1dgf h GLN 195 Cb 0.31 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 1dgf h GLN 195 CO 0.06 0.60 -0.02 0.28 -2.65 0.00 0.00 178.83 177.10 1dgf h VAL 196 N 0.00 1.26 -0.67 2.39 2.07 -0.99 0.13 116.25 120.43 1dgf h VAL 196 Ca -0.01 -1.11 -0.07 0.00 0.82 0.00 0.00 66.70 66.34 1dgf h VAL 196 Cb 1.13 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1dgf h VAL 196 CO 0.08 0.39 0.15 0.28 0.02 0.00 0.00 177.57 178.50 1dgf h SER 197 N 0.85 1.03 -0.27 0.57 0.02 -1.11 -1.23 113.55 113.41 1dgf h SER 197 Ca 0.15 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.75 1dgf h SER 197 Cb 0.53 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1dgf h SER 197 CO 0.03 1.00 -0.29 0.15 -1.14 0.00 0.00 176.83 176.58 1dgf h PHE 198 N 1.01 0.82 -0.77 3.45 3.04 -1.20 -2.95 116.94 120.33 1dgf h PHE 198 Ca 0.21 -0.25 0.03 0.00 3.98 0.00 0.00 57.97 61.94 1dgf h PHE 198 Cb 0.38 -0.17 -0.05 0.00 2.56 0.00 0.00 35.95 38.68 1dgf h PHE 198 CO 0.03 0.99 0.49 1.25 -2.02 0.00 0.00 178.31 179.05 1dgf h LEU 199 N 0.41 0.82 -0.81 0.59 5.85 -0.52 -2.32 115.31 119.32 1dgf h LEU 199 Ca 0.04 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1dgf h LEU 199 Cb 0.86 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1dgf h LEU 199 CO 0.07 0.57 0.00 0.49 -0.34 0.00 0.00 178.44 179.23 1dgf n PHE 200 N -4.61 0.18 -2.20 1.25 3.01 -0.48 -3.81 117.46 110.79 1dgf n PHE 200 Ca 0.09 -0.09 -0.14 0.00 1.01 0.00 0.00 57.45 58.32 1dgf n PHE 200 Cb 0.08 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.63 1dgf n PHE 200 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1dgf n SER 201 N 0.04 0.59 -0.12 4.37 3.41 -0.87 -4.26 113.62 116.78 1dgf n SER 201 Ca 0.15 -1.56 0.08 0.00 -0.26 0.00 0.00 58.87 57.28 1dgf n SER 201 Cb 0.25 -0.44 0.42 0.00 -0.26 0.00 0.00 64.21 64.18 1dgf n SER 201 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1dgf h ASP 202 N -0.53 0.53 0.00 4.04 3.32 -1.89 -1.83 116.42 120.05 1dgf h ASP 202 Ca -0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1dgf h ASP 202 Cb 0.71 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1dgf h ASP 202 CO 0.20 0.34 0.00 0.54 -1.72 0.00 0.00 179.24 178.60 1dgf n ARG 203 N -4.48 0.71 0.25 3.56 1.74 -1.26 -3.06 116.66 114.12 1dgf n ARG 203 Ca 0.09 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.31 1dgf n ARG 203 Cb 0.25 -1.32 0.57 0.00 -1.02 0.00 0.00 32.46 30.93 1dgf n ARG 203 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1dgf h GLY 204 N 3.78 0.00 -6.54 -0.13 0.00 -1.43 -3.35 103.07 95.40 1dgf h GLY 204 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1dgf h GLY 204 CO 0.00 0.00 -0.88 -0.42 0.00 0.00 0.00 176.54 175.24 1dgf s ILE 205 N -3.64 0.84 0.65 2.60 1.01 -1.17 -2.78 121.20 118.71 1dgf s ILE 205 Ca 0.01 -2.88 -0.16 0.00 0.00 0.00 0.00 60.65 57.62 1dgf s ILE 205 Cb 0.09 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 40.98 1dgf s ILE 205 CO 0.59 -1.16 1.17 -2.16 0.00 0.00 0.00 174.94 173.38 1dgf s PRO 206 N -0.13 2.68 -1.20 2.79 0.04 -1.26 -0.55 135.00 137.37 1dgf s PRO 206 Ca 0.30 1.66 -0.19 0.00 0.04 0.00 0.00 61.00 62.81 1dgf s PRO 206 Cb -0.01 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.70 1dgf s PRO 206 CO -0.17 -1.40 1.60 0.34 0.04 0.00 0.00 177.00 177.42 1dgf s ASP 207 N -2.04 6.76 0.06 6.66 3.68 0.50 -4.49 116.67 127.79 1dgf s ASP 207 Ca 0.73 -2.20 0.00 0.00 2.13 0.00 0.00 52.55 53.21 1dgf s ASP 207 Cb -0.27 -2.55 0.00 0.00 -1.45 0.00 0.00 42.92 38.65 1dgf s ASP 207 CO 0.39 -1.22 0.00 0.61 0.13 0.00 0.00 175.17 175.08 1dgf n GLY 208 N 5.70 -1.50 0.20 2.66 0.00 -1.26 -4.20 105.19 106.78 1dgf n GLY 208 Ca 0.42 -1.47 0.10 0.00 0.00 0.00 0.00 46.02 45.06 1dgf n GLY 208 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1dgf h HIS 209 N -0.20 0.00 0.00 1.61 3.86 -1.89 -3.31 115.15 115.22 1dgf h HIS 209 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1dgf h HIS 209 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1dgf h HIS 209 CO -0.42 0.13 0.00 0.54 0.86 0.00 0.00 177.93 179.04 1dgf n ARG 210 N -3.11 0.16 -1.35 2.45 1.74 -1.26 -3.88 116.66 111.41 1dgf n ARG 210 Ca 0.03 0.19 -0.19 0.00 -0.77 0.00 0.00 57.85 57.11 1dgf n ARG 210 Cb 0.58 -1.71 0.11 0.00 -1.02 0.00 0.00 32.46 30.42 1dgf n ARG 210 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1dgf n HIS 211 N -2.00 2.26 -4.09 -1.55 8.25 -1.25 -4.42 115.22 112.41 1dgf n HIS 211 Ca 0.05 -2.17 -0.08 0.00 -0.26 0.00 0.00 57.72 55.26 1dgf n HIS 211 Cb 0.36 -0.71 -0.10 0.00 1.12 0.00 0.00 29.99 30.66 1dgf n HIS 211 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dgf s MET 212 N -3.51 0.71 0.52 -0.41 0.23 -1.25 -2.28 119.30 113.31 1dgf s MET 212 Ca 0.52 -1.27 0.02 0.00 -1.03 0.00 0.00 55.69 53.94 1dgf s MET 212 Cb 0.44 0.23 0.03 0.00 -1.53 0.00 0.00 34.83 33.99 1dgf s MET 212 CO 0.01 -0.16 0.74 -0.80 -2.03 0.00 0.00 175.02 172.79 1dgf s ASN 213 N -2.95 5.38 0.08 -1.18 0.01 -1.26 -4.07 114.94 110.95 1dgf s ASN 213 Ca 0.11 -0.02 0.07 0.00 -0.71 0.00 0.00 52.86 52.31 1dgf s ASN 213 Cb 0.08 -0.93 -0.03 0.00 0.41 0.00 0.00 41.25 40.78 1dgf s ASN 213 CO -0.07 -1.05 -0.17 -0.83 -1.51 0.00 0.00 177.10 173.47 1dgf s GLY 214 N -4.39 1.03 -0.00 0.66 0.00 0.22 -4.13 107.32 100.70 1dgf s GLY 214 Ca 0.56 -1.09 -0.10 0.00 0.00 0.00 0.00 44.72 44.09 1dgf s GLY 214 CO 0.38 -1.10 0.19 -0.19 0.00 0.00 0.00 173.10 172.38 1dgf s TYR 215 N -1.17 -0.03 -0.44 1.90 2.02 0.09 -0.98 117.35 118.74 1dgf s TYR 215 Ca 0.02 0.00 0.24 0.00 -0.37 0.00 0.00 57.07 56.97 1dgf s TYR 215 Cb -0.10 -0.00 0.51 0.00 -0.40 0.00 0.00 41.96 41.97 1dgf s TYR 215 CO 0.03 -0.31 1.67 0.78 -1.57 0.00 0.00 175.55 176.14 1dgf h GLY 216 N 4.19 0.00 0.00 0.71 0.00 -1.57 -2.29 103.07 104.10 1dgf h GLY 216 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1dgf h GLY 216 CO 0.40 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.38 1dgf n SER 217 N -2.95 0.00 -4.73 0.19 7.64 -1.26 -4.80 113.62 107.71 1dgf n SER 217 Ca 0.04 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.60 1dgf n SER 217 Cb 0.49 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.80 1dgf n SER 217 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1dgf s HIS 218 N 0.00 2.21 0.03 1.43 3.76 -1.26 -4.79 115.29 116.67 1dgf s HIS 218 Ca 0.00 1.64 -0.25 0.00 -0.15 0.00 0.00 55.06 56.29 1dgf s HIS 218 Cb 0.00 -3.21 -0.05 0.00 1.11 0.00 0.00 32.58 30.43 1dgf s HIS 218 CO 0.00 -2.20 0.79 0.99 -0.85 0.00 0.00 174.74 173.46 1dgf s THR 219 N -2.64 4.78 0.53 1.30 2.01 -1.26 -4.59 115.64 115.76 1dgf s THR 219 Ca 0.65 1.66 0.01 0.00 0.31 0.00 0.00 61.69 64.33 1dgf s THR 219 Cb -0.21 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.17 1dgf s THR 219 CO 0.54 0.33 0.09 -0.36 -0.69 0.00 0.00 174.62 174.52 1dgf s PHE 220 N 0.17 1.73 -0.06 4.92 0.08 0.45 -4.07 117.98 121.22 1dgf s PHE 220 Ca 0.40 -0.96 0.05 0.00 0.12 0.00 0.00 56.93 56.54 1dgf s PHE 220 Cb -0.20 -1.66 -0.01 0.00 -0.57 0.00 0.00 43.02 40.58 1dgf s PHE 220 CO 0.23 0.05 -0.21 0.21 -0.10 0.00 0.00 175.22 175.40 1dgf s LYS 221 N -3.98 2.25 -0.08 0.44 2.20 0.26 -0.80 119.74 120.03 1dgf s LYS 221 Ca 0.09 -0.76 0.01 0.00 -0.36 0.00 0.00 55.97 54.95 1dgf s LYS 221 Cb 0.00 -1.89 -0.03 0.00 -1.51 0.00 0.00 37.83 34.40 1dgf s LYS 221 CO 0.05 0.28 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.71 1dgf s LEU 222 N 0.02 2.94 -0.09 5.43 1.43 -0.11 -0.12 118.68 128.19 1dgf s LEU 222 Ca -0.06 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1dgf s LEU 222 Cb -0.13 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.46 1dgf s LEU 222 CO 0.04 0.31 -0.17 -0.69 0.23 0.00 0.00 176.35 176.07 1dgf s VAL 223 N -0.49 1.53 0.63 -1.59 1.01 -0.71 -1.40 120.40 119.38 1dgf s VAL 223 Ca 0.07 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1dgf s VAL 223 Cb -0.12 -1.37 0.12 0.00 0.00 0.00 0.00 36.38 35.02 1dgf s VAL 223 CO 0.02 0.44 0.86 -0.46 0.00 0.00 0.00 175.10 175.97 1dgf n ASN 224 N 3.80 1.30 0.26 3.32 0.23 -0.02 -1.17 115.26 122.98 1dgf n ASN 224 Ca -0.21 -2.06 0.11 0.00 -0.53 0.00 0.00 54.58 51.89 1dgf n ASN 224 Cb 0.52 -0.55 0.74 0.00 -2.08 0.00 0.00 39.78 38.42 1dgf n ASN 224 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1dgf h ALA 225 N -0.49 1.85 -0.01 -2.53 0.00 -1.89 -1.58 119.26 114.62 1dgf h ALA 225 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1dgf h ALA 225 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1dgf h ALA 225 CO 0.32 -0.04 -0.01 0.09 0.00 0.00 0.00 179.25 179.61 1dgf n ASN 226 N -4.27 1.01 0.00 0.00 3.02 -1.26 -4.90 115.26 108.86 1dgf n ASN 226 Ca -0.02 -1.30 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 1dgf n ASN 226 Cb 0.12 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 1dgf n ASN 226 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dgf n GLY 227 N 1.13 0.64 3.79 7.41 0.00 -0.59 -5.04 105.19 112.53 1dgf n GLY 227 Ca 0.20 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1dgf n GLY 227 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dgf s GLU 228 N -0.31 4.43 0.10 1.61 2.02 -1.26 -4.82 118.70 120.47 1dgf s GLU 228 Ca 0.00 1.02 0.08 0.00 0.02 0.00 0.00 54.97 56.09 1dgf s GLU 228 Cb 0.00 -3.17 -0.03 0.00 0.10 0.00 0.00 34.13 31.02 1dgf s GLU 228 CO 0.00 0.54 -0.21 0.00 0.02 0.00 0.00 175.26 175.61 1dgf s ALA 229 N -1.23 1.82 0.13 5.21 0.00 -1.26 -0.84 121.76 125.59 1dgf s ALA 229 Ca 0.36 -1.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 1dgf s ALA 229 Cb -0.21 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1dgf s ALA 229 CO 0.24 0.37 0.04 0.14 0.00 0.00 0.00 175.76 176.54 1dgf s VAL 230 N -1.15 0.22 0.10 0.00 -7.23 -0.49 -4.64 120.40 107.21 1dgf s VAL 230 Ca 0.07 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 1dgf s VAL 230 Cb -0.10 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1dgf s VAL 230 CO 0.04 -0.51 0.26 -0.31 -0.31 0.00 0.00 175.10 174.27 1dgf s TYR 231 N -3.97 3.50 0.18 2.82 2.02 0.28 -0.93 117.35 121.26 1dgf s TYR 231 Ca 0.23 0.25 -0.08 0.00 -0.37 0.00 0.00 57.07 57.09 1dgf s TYR 231 Cb 0.07 -1.76 -0.01 0.00 -0.40 0.00 0.00 41.96 39.85 1dgf s TYR 231 CO 0.01 0.54 0.29 0.00 -1.57 0.00 0.00 175.55 174.82 1dgf s LYS 233 N -4.01 1.22 -0.16 0.00 -0.14 -0.93 -0.41 119.74 115.31 1dgf s LYS 233 Ca 0.21 -0.46 -0.07 0.00 -1.36 0.00 0.00 55.97 54.30 1dgf s LYS 233 Cb 0.03 -1.13 -0.04 0.00 -1.68 0.00 0.00 37.83 35.01 1dgf s LYS 233 CO 0.03 0.22 0.09 -0.06 -0.76 0.00 0.00 175.35 174.88 1dgf s PHE 234 N -0.07 3.39 -0.00 3.18 0.08 -1.26 -1.55 117.98 121.74 1dgf s PHE 234 Ca 0.00 0.29 0.02 0.00 0.12 0.00 0.00 56.93 57.37 1dgf s PHE 234 Cb -0.08 -2.02 -0.01 0.00 -0.57 0.00 0.00 43.02 40.35 1dgf s PHE 234 CO 0.00 0.41 -0.08 -1.01 -0.10 0.00 0.00 175.22 174.44 1dgf s HIS 235 N -0.22 0.72 -0.27 0.36 3.76 -0.30 -1.54 115.29 117.80 1dgf s HIS 235 Ca 0.09 -0.15 -0.04 0.00 -0.15 0.00 0.00 55.06 54.81 1dgf s HIS 235 Cb -0.12 -0.46 0.09 0.00 1.11 0.00 0.00 32.58 33.21 1dgf s HIS 235 CO 0.01 -0.01 0.12 1.52 -0.85 0.00 0.00 174.74 175.52 1dgf s TYR 236 N -0.26 0.44 0.04 1.40 -0.85 -0.15 0.40 117.35 118.38 1dgf s TYR 236 Ca 0.02 -0.85 -0.21 0.00 -0.52 0.00 0.00 57.07 55.51 1dgf s TYR 236 Cb -0.03 -0.94 -0.06 0.00 0.38 0.00 0.00 41.96 41.31 1dgf s TYR 236 CO -0.00 -0.77 0.64 0.15 -1.52 0.00 0.00 175.55 174.05 1dgf s LYS 237 N 2.06 4.34 0.08 -3.49 1.02 -0.27 -0.61 119.74 122.87 1dgf s LYS 237 Ca 0.07 0.83 -0.31 0.00 0.02 0.00 0.00 55.97 56.59 1dgf s LYS 237 Cb -0.16 -3.31 -0.09 0.00 -0.52 0.00 0.00 37.83 33.75 1dgf s LYS 237 CO -0.30 0.44 1.66 -0.08 -0.92 0.00 0.00 175.35 176.15 1dgf s THR 238 N -0.50 2.96 -1.61 2.17 -1.32 -1.26 -0.62 115.64 115.46 1dgf s THR 238 Ca 0.32 0.45 0.30 0.00 -1.21 0.00 0.00 61.69 61.55 1dgf s THR 238 Cb -0.19 -3.29 0.59 0.00 -1.51 0.00 0.00 72.50 68.09 1dgf s THR 238 CO 0.20 0.00 2.04 0.47 -2.21 0.00 0.00 174.62 175.12 1dgf n ASP 239 N 5.46 0.13 -0.16 8.08 10.43 -0.44 -2.82 116.55 137.23 1dgf n ASP 239 Ca 0.16 -0.44 0.11 0.00 2.57 0.00 0.00 54.79 57.19 1dgf n ASP 239 Cb 0.40 -0.17 0.10 0.00 1.84 0.00 0.00 41.12 43.29 1dgf n ASP 239 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1dgf n GLN 240 N -1.13 0.43 0.00 -1.24 3.00 -1.26 -4.98 117.38 112.20 1dgf n GLN 240 Ca 0.16 -0.32 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 1dgf n GLN 240 Cb 0.22 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.97 1dgf n GLN 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1dgf n GLY 241 N 1.45 -1.14 3.71 1.08 0.00 -1.13 -4.92 105.19 104.24 1dgf n GLY 241 Ca 0.07 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 1dgf n GLY 241 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dgf s ILE 242 N -2.30 3.07 -0.13 -0.61 -1.09 -1.26 -4.48 121.20 114.40 1dgf s ILE 242 Ca 0.00 0.71 -0.06 0.00 -2.23 0.00 0.00 60.65 59.07 1dgf s ILE 242 Cb 0.00 -3.46 0.05 0.00 -1.58 0.00 0.00 42.46 37.47 1dgf s ILE 242 CO 0.00 0.04 0.30 -0.75 -1.23 0.00 0.00 174.94 173.30 1dgf s LYS 243 N 1.49 0.26 0.35 2.79 2.20 -0.96 -5.04 119.74 120.82 1dgf s LYS 243 Ca 0.68 0.62 0.09 0.00 -0.36 0.00 0.00 55.97 57.00 1dgf s LYS 243 Cb -0.39 -0.09 -0.07 0.00 -1.51 0.00 0.00 37.83 35.78 1dgf s LYS 243 CO 0.30 -0.16 -0.09 -0.80 -0.36 0.00 0.00 175.35 174.24 1dgf s ASN 244 N 1.34 3.73 -0.12 1.43 0.01 -1.26 -0.37 114.94 119.69 1dgf s ASN 244 Ca -0.09 -1.21 -0.04 0.00 -0.71 0.00 0.00 52.86 50.81 1dgf s ASN 244 Cb -0.10 -0.35 -0.03 0.00 0.41 0.00 0.00 41.25 41.18 1dgf s ASN 244 CO -0.10 -0.22 0.01 -0.76 -1.51 0.00 0.00 177.10 174.52 1dgf s LEU 245 N -3.61 3.61 0.85 0.60 1.43 0.29 -4.58 118.68 117.27 1dgf s LEU 245 Ca 0.33 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.42 1dgf s LEU 245 Cb 0.03 -1.86 0.10 0.00 0.03 0.00 0.00 46.19 44.50 1dgf s LEU 245 CO 0.17 0.30 1.11 -0.94 0.23 0.00 0.00 176.35 177.22 1dgf s SER 246 N -0.42 3.72 0.29 2.29 1.04 -1.26 -4.74 113.70 114.63 1dgf s SER 246 Ca 0.08 1.91 -0.01 0.00 0.48 0.00 0.00 55.95 58.41 1dgf s SER 246 Cb -0.12 -2.50 0.46 0.00 0.10 0.00 0.00 66.02 63.97 1dgf s SER 246 CO 0.02 -2.55 1.93 0.58 0.98 0.00 0.00 173.24 174.21 1dgf h VAL 247 N -1.48 1.14 0.01 5.02 2.07 -1.98 0.04 116.25 121.07 1dgf h VAL 247 Ca -0.45 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 1dgf h VAL 247 Cb 1.25 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1dgf h VAL 247 CO 0.48 0.20 -0.01 -0.33 0.02 0.00 0.00 177.57 177.94 1dgf h GLU 248 N 1.10 -0.02 -0.60 1.57 3.07 -1.99 -1.05 114.58 116.66 1dgf h GLU 248 Ca 0.36 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.15 1dgf h GLU 248 Cb 0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.93 1dgf h GLU 248 CO -0.11 0.24 0.08 -0.44 -1.40 0.00 0.00 179.01 177.39 1dgf h ASP 249 N -0.28 0.94 -0.63 1.42 3.45 -1.87 -1.13 116.42 118.33 1dgf h ASP 249 Ca -0.00 -0.22 -0.06 0.00 0.43 0.00 0.00 57.03 57.19 1dgf h ASP 249 Cb 0.27 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.76 1dgf h ASP 249 CO 0.00 0.95 0.19 0.00 -1.57 0.00 0.00 179.24 178.81 1dgf h ALA 250 N 1.16 1.10 -0.15 3.45 0.00 -0.92 0.65 119.26 124.53 1dgf h ALA 250 Ca 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1dgf h ALA 250 Cb 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1dgf h ALA 250 CO 0.01 0.61 0.01 0.00 0.00 0.00 0.00 179.25 179.89 1dgf h ALA 251 N 1.23 0.21 -0.32 0.00 0.00 -0.83 -1.16 119.26 118.38 1dgf h ALA 251 Ca 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1dgf h ALA 251 Cb 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1dgf h ALA 251 CO -0.01 -0.11 0.17 -0.09 0.00 0.00 0.00 179.25 179.21 1dgf h ARG 252 N 0.03 0.45 -0.11 0.00 2.43 -1.00 -2.85 114.38 113.32 1dgf h ARG 252 Ca 0.05 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1dgf h ARG 252 Cb 0.34 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1dgf h ARG 252 CO 0.01 0.39 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.66 1dgf h LEU 253 N 0.39 0.16 -1.93 3.80 3.38 -0.82 -0.11 115.31 120.19 1dgf h LEU 253 Ca 0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1dgf h LEU 253 Cb 0.08 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1dgf h LEU 253 CO -0.02 0.32 -0.11 0.77 0.09 0.00 0.00 178.44 179.49 1dgf h SER 254 N 0.17 0.00 0.03 -0.43 4.64 -0.96 0.15 113.55 117.14 1dgf h SER 254 Ca 0.03 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.01 1dgf h SER 254 Cb 0.34 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 1dgf h SER 254 CO 0.02 0.11 -1.95 1.67 -0.87 0.00 0.00 176.83 175.82 1dgf n GLN 255 N -3.65 0.63 -0.18 4.77 0.00 -0.82 -3.90 117.38 114.23 1dgf n GLN 255 Ca -0.02 0.36 -0.09 0.00 -0.00 0.00 0.00 57.00 57.25 1dgf n GLN 255 Cb 0.23 -1.64 0.01 0.00 0.00 0.00 0.00 30.24 28.84 1dgf n GLN 255 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1dgf h GLU 256 N -0.60 0.87 -1.68 3.69 5.08 -0.96 -3.41 114.58 117.56 1dgf h GLU 256 Ca -0.49 -0.23 -0.29 0.00 -1.00 0.00 0.00 59.36 57.35 1dgf h GLU 256 Cb 1.64 -0.10 -0.28 0.00 0.50 0.00 0.00 28.75 30.52 1dgf h GLU 256 CO -0.18 0.85 -0.62 0.34 -1.00 0.00 0.00 179.01 178.40 1dgf s ASP 257 N -6.26 0.40 0.51 1.42 2.15 0.51 -5.00 116.67 110.40 1dgf s ASP 257 Ca -0.13 -1.40 0.34 0.00 0.43 0.00 0.00 52.55 51.79 1dgf s ASP 257 Cb 0.12 0.95 1.82 0.00 -0.30 0.00 0.00 42.92 45.51 1dgf s ASP 257 CO 0.81 -0.23 2.04 -0.65 -0.17 0.00 0.00 175.17 176.97 1dgf h PRO 258 N 6.98 0.00 -0.54 4.34 0.11 -1.67 -2.15 132.00 139.06 1dgf h PRO 258 Ca 0.06 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.90 1dgf h PRO 258 Cb 1.09 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.04 1dgf h PRO 258 CO 0.17 0.00 0.14 -0.25 -0.21 0.00 0.00 178.00 177.85 1dgf n ASP 259 N -2.71 3.03 -0.26 -2.05 8.00 -1.26 -0.23 116.55 121.06 1dgf n ASP 259 Ca -0.02 -3.66 0.07 0.00 0.71 0.00 0.00 54.79 51.89 1dgf n ASP 259 Cb 0.07 -0.69 0.20 0.00 -0.02 0.00 0.00 41.12 40.68 1dgf n ASP 259 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1dgf h TYR 260 N 1.14 0.35 -0.54 1.24 5.03 -1.72 -0.61 116.97 121.85 1dgf h TYR 260 Ca 0.33 0.04 -0.09 0.00 2.58 0.00 0.00 58.73 61.59 1dgf h TYR 260 Cb 2.02 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 40.24 1dgf h TYR 260 CO 1.17 -0.07 0.00 0.78 -1.32 0.00 0.00 178.16 178.72 1dgf h GLY 261 N 0.30 1.03 0.83 1.82 0.00 -1.87 -0.50 103.07 104.68 1dgf h GLY 261 Ca 0.44 -0.76 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1dgf h GLY 261 CO -0.51 0.70 0.02 -2.22 0.00 0.00 0.00 176.54 174.53 1dgf h ILE 262 N 0.84 1.16 -0.11 2.60 2.04 -1.67 -2.42 117.51 119.95 1dgf h ILE 262 Ca 0.15 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1dgf h ILE 262 Cb 0.54 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1dgf h ILE 262 CO 0.03 0.13 0.07 -0.09 0.00 0.00 0.00 178.15 178.29 1dgf h ARG 263 N -0.08 0.14 -0.50 2.37 2.43 -1.10 -1.54 114.38 116.10 1dgf h ARG 263 Ca 0.02 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1dgf h ARG 263 Cb 0.19 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 1dgf h ARG 263 CO -0.00 0.13 0.22 0.22 -1.51 0.00 0.00 179.97 179.02 1dgf h ASP 264 N 0.12 0.27 -0.16 -3.80 3.58 -1.09 -0.80 116.42 114.54 1dgf h ASP 264 Ca 0.04 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.50 1dgf h ASP 264 Cb 0.02 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 1dgf h ASP 264 CO -0.01 0.19 -0.05 0.25 -2.88 0.00 0.00 179.24 176.74 1dgf h LEU 265 N 0.42 0.32 -0.30 2.28 5.85 -1.32 -1.75 115.31 120.80 1dgf h LEU 265 Ca 0.23 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1dgf h LEU 265 Cb 0.20 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1dgf h LEU 265 CO -0.20 0.62 0.20 0.15 -0.34 0.00 0.00 178.44 178.87 1dgf h PHE 266 N 0.01 0.39 -0.32 1.25 3.04 -1.11 -2.25 116.94 117.95 1dgf h PHE 266 Ca 0.04 0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.90 1dgf h PHE 266 Cb 0.49 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 1dgf h PHE 266 CO 0.05 0.25 -0.22 -0.91 -2.02 0.00 0.00 178.31 175.47 1dgf h ASN 267 N 0.41 0.60 0.02 0.41 2.35 -1.17 0.23 115.58 118.44 1dgf h ASN 267 Ca 0.11 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1dgf h ASN 267 Cb -0.04 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1dgf h ASN 267 CO -0.02 0.81 -0.01 0.00 -1.65 0.00 0.00 177.43 176.56 1dgf h ALA 268 N 1.24 -0.03 -0.57 -0.83 0.00 -1.09 -1.51 119.26 116.46 1dgf h ALA 268 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1dgf h ALA 268 Cb 0.66 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1dgf h ALA 268 CO 0.05 -0.47 0.03 0.82 0.00 0.00 0.00 179.25 179.67 1dgf h ILE 269 N -0.11 1.26 0.00 0.00 2.04 -1.30 0.10 117.51 119.51 1dgf h ILE 269 Ca -0.00 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 1dgf h ILE 269 Cb 0.10 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1dgf h ILE 269 CO 0.00 0.39 -0.12 0.00 0.00 0.00 0.00 178.15 178.43 1dgf h ALA 270 N 0.98 1.33 -0.40 1.87 0.00 -0.80 -2.07 119.26 120.16 1dgf h ALA 270 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1dgf h ALA 270 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1dgf h ALA 270 CO 0.02 0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.67 1dgf n THR 271 N -3.71 0.52 -0.64 0.00 -2.24 -0.58 -4.96 114.28 102.67 1dgf n THR 271 Ca -0.02 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1dgf n THR 271 Cb 0.23 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 1dgf n THR 271 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dgf n GLY 272 N 1.50 0.75 2.86 3.38 0.00 -0.78 -4.97 105.19 107.93 1dgf n GLY 272 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1dgf n GLY 272 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dgf n LYS 273 N -2.33 3.93 -1.82 1.61 5.02 0.33 -4.98 118.16 119.91 1dgf n LYS 273 Ca 0.00 -3.77 -0.43 0.00 -2.02 0.00 0.00 58.31 52.09 1dgf n LYS 273 Cb 0.00 -2.80 -0.03 0.00 -0.02 0.00 0.00 35.03 32.18 1dgf n LYS 273 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1dgf s TYR 274 N -0.54 1.57 0.43 2.13 4.12 -1.26 -4.20 117.35 119.59 1dgf s TYR 274 Ca 0.39 0.17 -0.23 0.00 0.02 0.00 0.00 57.07 57.42 1dgf s TYR 274 Cb 0.09 -4.05 -0.08 0.00 -1.52 0.00 0.00 41.96 36.40 1dgf s TYR 274 CO 0.02 -4.21 1.08 -1.25 0.02 0.00 0.00 175.55 171.21 1dgf s PRO 275 N 4.99 4.00 0.07 -1.71 0.04 -1.24 -4.83 135.00 136.32 1dgf s PRO 275 Ca 0.85 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1dgf s PRO 275 Cb -0.34 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 1dgf s PRO 275 CO 0.35 -0.30 -0.04 -1.54 0.04 0.00 0.00 177.00 175.51 1dgf s SER 276 N -1.56 0.73 0.01 6.66 1.04 -1.26 -1.81 113.70 117.51 1dgf s SER 276 Ca 0.61 -0.99 0.03 0.00 0.48 0.00 0.00 55.95 56.07 1dgf s SER 276 Cb -0.23 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 1dgf s SER 276 CO 0.28 -0.54 -0.08 0.26 0.98 0.00 0.00 173.24 174.14 1dgf s TRP 277 N -3.76 0.72 -0.23 5.02 0.51 -0.07 -1.32 118.94 119.80 1dgf s TRP 277 Ca 0.08 -0.22 -0.18 0.00 -2.12 0.00 0.00 56.10 53.67 1dgf s TRP 277 Cb 0.07 -0.45 -0.03 0.00 -0.81 0.00 0.00 33.47 32.25 1dgf s TRP 277 CO -0.08 -0.02 0.49 0.99 -0.51 0.00 0.00 176.95 177.82 1dgf s THR 278 N -0.47 5.11 -0.18 2.01 2.01 0.21 -0.70 115.64 123.62 1dgf s THR 278 Ca 0.00 0.86 -0.20 0.00 0.31 0.00 0.00 61.69 62.66 1dgf s THR 278 Cb -0.05 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1dgf s THR 278 CO 0.00 0.14 0.59 0.12 -0.69 0.00 0.00 174.62 174.79 1dgf s PHE 279 N 1.93 3.40 0.31 4.92 5.36 0.41 -1.11 117.98 133.21 1dgf s PHE 279 Ca 0.21 0.90 0.03 0.00 -0.96 0.00 0.00 56.93 57.12 1dgf s PHE 279 Cb -0.15 -2.74 -0.06 0.00 -0.34 0.00 0.00 43.02 39.72 1dgf s PHE 279 CO 0.09 -0.11 0.07 0.71 -1.46 0.00 0.00 175.22 174.52 1dgf s TYR 280 N 1.65 1.88 0.02 10.12 2.02 0.16 -0.72 117.35 132.49 1dgf s TYR 280 Ca 0.28 -1.01 -0.02 0.00 -0.37 0.00 0.00 57.07 55.95 1dgf s TYR 280 Cb -0.16 -1.21 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 1dgf s TYR 280 CO 0.11 -0.07 0.01 0.96 -1.57 0.00 0.00 175.55 174.99 1dgf s ILE 281 N -3.38 0.12 0.04 2.71 -4.36 -0.28 -1.15 121.20 114.90 1dgf s ILE 281 Ca 0.36 -0.98 0.04 0.00 -0.26 0.00 0.00 60.65 59.82 1dgf s ILE 281 Cb 0.08 -0.47 -0.04 0.00 1.25 0.00 0.00 42.46 43.29 1dgf s ILE 281 CO 0.15 -0.54 -0.06 -1.10 0.24 0.00 0.00 174.94 173.63 1dgf s GLN 282 N -1.79 2.47 -0.05 0.37 -0.21 -0.60 -0.11 119.66 119.74 1dgf s GLN 282 Ca -0.13 -0.81 0.05 0.00 0.02 0.00 0.00 55.36 54.50 1dgf s GLN 282 Cb -0.07 -2.47 -0.01 0.00 1.00 0.00 0.00 33.01 31.46 1dgf s GLN 282 CO -0.02 0.57 -0.20 0.08 -2.12 0.00 0.00 175.29 173.60 1dgf s VAL 283 N -1.11 1.64 -0.09 1.09 1.01 -1.26 -2.20 120.40 119.47 1dgf s VAL 283 Ca 0.20 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 1dgf s VAL 283 Cb -0.11 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1dgf s VAL 283 CO 0.11 0.47 -0.05 -0.32 0.00 0.00 0.00 175.10 175.30 1dgf s MET 284 N -0.03 1.20 0.80 2.72 0.00 -0.04 -4.93 119.30 119.03 1dgf s MET 284 Ca -0.04 -0.15 -0.11 0.00 0.00 0.00 0.00 55.69 55.39 1dgf s MET 284 Cb -0.12 -1.32 0.07 0.00 0.00 0.00 0.00 34.83 33.46 1dgf s MET 284 CO 0.03 -0.24 1.09 0.95 0.00 0.00 0.00 175.02 176.86 1dgf s THR 285 N 1.63 3.08 0.37 10.11 -4.23 -1.26 -0.56 115.64 124.78 1dgf s THR 285 Ca 0.02 0.35 0.05 0.00 -1.18 0.00 0.00 61.69 60.92 1dgf s THR 285 Cb -0.13 -3.06 0.24 0.00 1.34 0.00 0.00 72.50 70.89 1dgf s THR 285 CO -0.06 -0.46 2.00 -0.26 -0.54 0.00 0.00 174.62 175.30 1dgf h PHE 286 N -1.12 0.62 -0.31 3.99 -1.00 -1.96 -1.37 116.94 115.79 1dgf h PHE 286 Ca -0.47 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.29 1dgf h PHE 286 Cb 1.27 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 40.61 1dgf h PHE 286 CO 0.47 0.44 0.13 -0.91 -1.61 0.00 0.00 178.31 176.83 1dgf h ASN 287 N 0.65 0.43 -0.56 2.17 2.35 -1.98 -2.70 115.58 115.93 1dgf h ASN 287 Ca 0.17 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1dgf h ASN 287 Cb 0.02 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1dgf h ASN 287 CO -0.03 0.47 0.28 1.56 -1.65 0.00 0.00 177.43 178.07 1dgf h GLN 288 N 0.36 0.84 0.00 0.81 4.20 -1.77 -2.00 115.11 117.55 1dgf h GLN 288 Ca 0.11 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1dgf h GLN 288 Cb 0.18 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1dgf h GLN 288 CO -0.01 0.65 -0.11 0.00 -0.67 0.00 0.00 178.83 178.70 1dgf h ALA 289 N 1.47 1.54 0.00 3.87 0.00 -0.96 -0.71 119.26 124.48 1dgf h ALA 289 Ca 0.21 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1dgf h ALA 289 Cb 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1dgf h ALA 289 CO -0.03 0.13 -0.76 0.93 0.00 0.00 0.00 179.25 179.53 1dgf h GLU 290 N 0.00 0.00 -0.02 0.00 4.39 -1.13 -3.31 114.58 114.51 1dgf h GLU 290 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1dgf h GLU 290 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1dgf h GLU 290 CO 0.01 0.76 -0.20 0.25 -1.16 0.00 0.00 179.01 178.67 1dgf n THR 291 N -3.54 0.00 -1.71 1.13 -2.24 -0.79 -4.97 114.28 102.16 1dgf n THR 291 Ca -0.00 -0.40 -0.43 0.00 -2.27 0.00 0.00 64.05 60.95 1dgf n THR 291 Cb 0.76 1.32 -0.03 0.00 -2.10 0.00 0.00 70.33 70.28 1dgf n THR 291 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1dgf n PHE 292 N 0.53 2.66 0.23 4.78 -0.00 -0.34 -4.86 117.46 120.47 1dgf n PHE 292 Ca 0.10 0.06 0.13 0.00 -0.00 0.00 0.00 57.45 57.73 1dgf n PHE 292 Cb 0.45 -2.66 0.69 0.00 -0.00 0.00 0.00 39.48 37.97 1dgf n PHE 292 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1dgf h PRO 293 N 6.82 0.00 0.00 -7.13 0.13 -1.93 -3.43 132.00 126.46 1dgf h PRO 293 Ca -0.44 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.23 1dgf h PRO 293 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 1dgf h PRO 293 CO 0.95 0.00 -0.38 1.19 -0.23 0.00 0.00 178.00 179.52 1dgf n PHE 294 N -2.48 0.20 -2.56 1.56 3.72 -1.26 -5.09 117.46 111.54 1dgf n PHE 294 Ca -0.02 -2.13 -0.43 0.00 -0.05 0.00 0.00 57.45 54.83 1dgf n PHE 294 Cb 0.19 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.68 1dgf n PHE 294 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1dgf s ASN 295 N -3.07 6.88 0.26 4.37 2.47 -1.26 -4.88 114.94 119.71 1dgf s ASN 295 Ca 0.15 1.19 0.20 0.00 0.42 0.00 0.00 52.86 54.82 1dgf s ASN 295 Cb 0.01 -2.54 0.98 0.00 -1.45 0.00 0.00 41.25 38.25 1dgf s ASN 295 CO 0.11 -0.90 1.60 -0.81 -3.72 0.00 0.00 177.10 173.38 1dgf n PRO 296 N 6.90 0.13 -0.46 0.43 -0.04 -1.26 -1.61 135.00 139.08 1dgf n PRO 296 Ca 0.13 0.55 0.09 0.00 -0.04 0.00 0.00 63.50 64.23 1dgf n PRO 296 Cb 0.47 -1.87 0.30 0.00 -0.04 0.00 0.00 33.50 32.35 1dgf n PRO 296 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1dgf n PHE 297 N -2.15 1.13 -3.02 0.54 3.72 -1.26 -4.70 117.46 111.72 1dgf n PHE 297 Ca -0.00 -0.60 -0.42 0.00 -0.05 0.00 0.00 57.45 56.38 1dgf n PHE 297 Cb 0.09 -0.16 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 1dgf n PHE 297 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1dgf s ASP 298 N -1.06 6.54 0.00 4.37 3.68 -0.64 -4.36 116.67 125.20 1dgf s ASP 298 Ca 0.44 0.39 0.10 0.00 2.13 0.00 0.00 52.55 55.61 1dgf s ASP 298 Cb 0.28 -2.37 0.41 0.00 -1.45 0.00 0.00 42.92 39.79 1dgf s ASP 298 CO 0.23 -0.62 1.31 -0.11 0.13 0.00 0.00 175.17 176.11 1dgf n LEU 299 N 6.17 0.00 -0.77 -1.34 7.94 -1.26 -1.60 117.00 126.13 1dgf n LEU 299 Ca 0.01 0.50 0.09 0.00 -1.11 0.00 0.00 56.01 55.51 1dgf n LEU 299 Cb 0.48 -0.50 0.27 0.00 0.53 0.00 0.00 43.42 44.20 1dgf n LEU 299 CO 0.50 -0.34 0.71 0.35 -1.11 0.00 0.00 177.39 177.51 1dgf n THR 300 N -1.50 0.43 -4.38 1.96 -2.24 -1.26 -1.69 114.28 105.60 1dgf n THR 300 Ca 0.02 -0.52 -0.29 0.00 -2.27 0.00 0.00 64.05 60.99 1dgf n THR 300 Cb 0.11 0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 68.64 1dgf n THR 300 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1dgf s LYS 301 N -1.57 1.38 0.29 -0.78 -0.14 -0.63 -4.87 119.74 113.43 1dgf s LYS 301 Ca 0.32 -1.34 0.09 0.00 -1.36 0.00 0.00 55.97 53.68 1dgf s LYS 301 Cb 0.17 -1.87 -0.04 0.00 -1.68 0.00 0.00 37.83 34.41 1dgf s LYS 301 CO 0.24 0.44 0.04 0.14 -0.76 0.00 0.00 175.35 175.45 1dgf s VAL 302 N -1.07 3.30 -0.37 3.17 -7.23 -1.26 -4.85 120.40 112.08 1dgf s VAL 302 Ca 0.14 -1.85 -0.14 0.00 -1.81 0.00 0.00 61.98 58.31 1dgf s VAL 302 Cb -0.10 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 33.95 1dgf s VAL 302 CO 0.06 -0.31 0.28 0.26 -0.31 0.00 0.00 175.10 175.07 1dgf s TRP 303 N -2.36 3.23 -0.05 2.82 0.51 -1.26 -5.03 118.94 116.80 1dgf s TRP 303 Ca 0.33 -0.39 -0.38 0.00 -2.12 0.00 0.00 56.10 53.55 1dgf s TRP 303 Cb -0.05 -2.55 -0.16 0.00 -0.81 0.00 0.00 33.47 29.91 1dgf s TRP 303 CO 0.21 -0.48 1.54 -2.30 -0.51 0.00 0.00 176.95 175.41 1dgf n PRO 304 N 5.15 1.29 0.30 4.98 -0.02 -1.26 -4.77 135.00 140.67 1dgf n PRO 304 Ca -0.12 0.47 0.16 0.00 -2.02 0.00 0.00 63.50 61.99 1dgf n PRO 304 Cb 0.48 -2.15 0.95 0.00 -0.02 0.00 0.00 33.50 32.76 1dgf n PRO 304 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 1dgf h HIS 305 N 5.92 0.00 -0.33 6.00 2.07 -1.97 0.73 115.15 127.57 1dgf h HIS 305 Ca -0.47 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 56.93 1dgf h HIS 305 Cb 1.32 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.29 1dgf h HIS 305 CO 0.68 0.00 -0.28 0.87 -3.07 0.00 0.00 177.93 176.14 1dgf h LYS 306 N 0.00 0.68 0.00 5.12 6.56 -2.00 -2.83 116.57 124.10 1dgf h LYS 306 Ca -0.00 -0.29 -0.28 0.00 -1.06 0.00 0.00 60.65 59.02 1dgf h LYS 306 Cb 0.01 -0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 31.60 1dgf h LYS 306 CO 0.00 0.88 -1.67 -0.44 -2.06 0.00 0.00 179.45 176.16 1dgf h ASP 307 N 0.59 0.00 -3.04 0.86 3.45 -1.68 -3.42 116.42 113.19 1dgf h ASP 307 Ca 0.07 0.00 -0.61 0.00 0.43 0.00 0.00 57.03 56.93 1dgf h ASP 307 Cb 0.77 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 39.14 1dgf h ASP 307 CO 0.06 0.98 -0.77 -0.31 -1.57 0.00 0.00 179.24 177.64 1dgf s TYR 308 N -2.62 2.11 0.51 4.55 2.02 0.16 -5.05 117.35 119.04 1dgf s TYR 308 Ca -0.04 -2.62 -0.23 0.00 -0.37 0.00 0.00 57.07 53.81 1dgf s TYR 308 Cb 0.08 -1.80 -0.06 0.00 -0.40 0.00 0.00 41.96 39.78 1dgf s TYR 308 CO 0.82 -0.73 1.31 -2.30 -1.57 0.00 0.00 175.55 173.08 1dgf n PRO 309 N 2.93 1.74 -2.32 -1.71 -0.02 -1.07 -4.36 135.00 130.20 1dgf n PRO 309 Ca 0.18 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 1dgf n PRO 309 Cb 0.39 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 1dgf n PRO 309 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1dgf s LEU 310 N -2.83 4.35 -0.27 2.45 1.43 -1.26 -4.55 118.68 118.00 1dgf s LEU 310 Ca 0.68 2.11 -0.06 0.00 -1.03 0.00 0.00 54.13 55.83 1dgf s LEU 310 Cb -0.44 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.20 1dgf s LEU 310 CO 0.52 -0.58 0.04 -0.63 0.23 0.00 0.00 176.35 175.94 1dgf s ILE 311 N 1.41 3.85 0.38 -0.59 1.01 0.85 -4.93 121.20 123.16 1dgf s ILE 311 Ca 0.61 -0.57 -0.27 0.00 0.00 0.00 0.00 60.65 60.42 1dgf s ILE 311 Cb -0.32 -2.90 -0.10 0.00 0.01 0.00 0.00 42.46 39.16 1dgf s ILE 311 CO 0.28 0.21 1.35 -2.16 0.00 0.00 0.00 174.94 174.62 1dgf s PRO 312 N 1.51 4.12 0.00 2.79 0.04 -1.26 -1.12 135.00 141.07 1dgf s PRO 312 Ca 0.04 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1dgf s PRO 312 Cb -0.16 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1dgf s PRO 312 CO 0.01 -0.41 0.00 0.28 0.04 0.00 0.00 177.00 176.92 1dgf n VAL 313 N 0.42 0.00 -2.17 -0.36 0.31 0.10 -4.60 118.33 112.03 1dgf n VAL 313 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1dgf n VAL 313 Cb 0.42 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 1dgf n VAL 313 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dgf n GLY 314 N 2.67 1.50 2.97 2.92 0.00 -0.98 -0.52 105.19 113.75 1dgf n GLY 314 Ca 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 1dgf n GLY 314 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dgf s LYS 315 N 1.56 0.27 -0.18 1.61 1.02 0.00 -0.44 119.74 123.57 1dgf s LYS 315 Ca 0.00 -0.50 -0.04 0.00 0.02 0.00 0.00 55.97 55.45 1dgf s LYS 315 Cb 0.00 0.10 -0.02 0.00 -0.52 0.00 0.00 37.83 37.38 1dgf s LYS 315 CO 0.00 -0.04 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.84 1dgf s LEU 316 N -1.22 3.11 -0.06 3.17 1.43 0.13 -1.03 118.68 124.20 1dgf s LEU 316 Ca -0.13 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1dgf s LEU 316 Cb -0.08 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.38 1dgf s LEU 316 CO -0.01 0.10 -0.14 -0.69 0.23 0.00 0.00 176.35 175.84 1dgf s VAL 317 N 0.77 1.26 -0.32 -1.59 1.01 -0.10 -0.89 120.40 120.55 1dgf s VAL 317 Ca -0.02 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1dgf s VAL 317 Cb -0.15 -1.13 0.04 0.00 0.00 0.00 0.00 36.38 35.14 1dgf s VAL 317 CO 0.02 0.38 0.06 -0.76 0.00 0.00 0.00 175.10 174.80 1dgf s LEU 318 N 0.49 4.06 -0.04 3.92 1.43 -0.75 -0.89 118.68 126.90 1dgf s LEU 318 Ca -0.12 -1.11 0.05 0.00 -1.03 0.00 0.00 54.13 51.92 1dgf s LEU 318 Cb -0.15 -1.81 0.08 0.00 0.03 0.00 0.00 46.19 44.35 1dgf s LEU 318 CO 0.04 -0.28 0.95 -0.46 0.23 0.00 0.00 176.35 176.83 1dgf n ASN 319 N 4.75 1.46 -3.72 2.29 0.23 -0.27 -3.65 115.26 116.35 1dgf n ASN 319 Ca -0.13 -2.13 -0.14 0.00 -0.53 0.00 0.00 54.58 51.65 1dgf n ASN 319 Cb 0.45 -0.15 -0.14 0.00 -2.08 0.00 0.00 39.78 37.85 1dgf n ASN 319 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1dgf s ARG 320 N -1.22 0.11 0.52 -3.83 3.52 -0.58 -5.00 118.95 112.47 1dgf s ARG 320 Ca 0.09 0.48 -0.09 0.00 -0.13 0.00 0.00 55.73 56.08 1dgf s ARG 320 Cb 0.08 -0.17 -0.05 0.00 -1.56 0.00 0.00 34.95 33.25 1dgf s ARG 320 CO 0.01 -0.21 0.88 -0.80 -0.81 0.00 0.00 175.30 174.38 1dgf s ASN 321 N 1.53 6.33 0.55 -2.12 0.01 -1.26 -0.53 114.94 119.46 1dgf s ASN 321 Ca -0.06 1.19 -0.19 0.00 -0.71 0.00 0.00 52.86 53.09 1dgf s ASN 321 Cb -0.11 -2.36 -0.05 0.00 0.41 0.00 0.00 41.25 39.13 1dgf s ASN 321 CO -0.07 -0.64 1.15 -2.84 -1.51 0.00 0.00 177.10 173.19 1dgf s PRO 322 N -4.66 3.28 -0.16 -0.60 0.02 -1.26 -4.87 135.00 126.75 1dgf s PRO 322 Ca 0.52 1.66 -0.07 0.00 0.02 0.00 0.00 61.00 63.13 1dgf s PRO 322 Cb -0.10 -2.00 -0.24 0.00 0.02 0.00 0.00 34.50 32.18 1dgf s PRO 322 CO 0.44 -0.92 0.23 0.28 -0.33 0.00 0.00 177.00 176.71 1dgf n VAL 323 N -1.34 1.71 -3.89 3.83 0.31 -1.26 -4.80 118.33 112.89 1dgf n VAL 323 Ca 0.12 -0.58 -0.28 0.00 -0.01 0.00 0.00 64.34 63.59 1dgf n VAL 323 Cb 0.51 -1.72 -0.16 0.00 -0.91 0.00 0.00 33.84 31.56 1dgf n VAL 323 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1dgf s ASN 324 N -6.95 2.92 0.13 4.52 3.84 -1.26 -5.05 114.94 113.08 1dgf s ASN 324 Ca -0.26 -0.71 -0.19 0.00 0.21 0.00 0.00 52.86 51.92 1dgf s ASN 324 Cb 0.07 -0.93 -0.04 0.00 -0.55 0.00 0.00 41.25 39.80 1dgf s ASN 324 CO 0.72 -0.19 1.76 0.22 -2.79 0.00 0.00 177.10 176.82 1dgf h TYR 325 N 8.11 0.19 -0.25 0.43 3.20 -1.97 -2.00 116.97 124.68 1dgf h TYR 325 Ca -0.24 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.67 1dgf h TYR 325 Cb 1.11 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 1dgf h TYR 325 CO 0.45 0.11 0.07 0.35 -1.64 0.00 0.00 178.16 177.50 1dgf h PHE 326 N 0.23 0.13 -0.50 -3.82 3.04 -1.96 0.43 116.94 114.48 1dgf h PHE 326 Ca 0.09 0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.96 1dgf h PHE 326 Cb 0.03 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.50 1dgf h PHE 326 CO -0.10 0.05 -0.06 0.00 -2.02 0.00 0.00 178.31 176.19 1dgf h ALA 327 N 1.17 0.68 0.00 2.41 0.00 -1.95 -1.59 119.26 119.98 1dgf h ALA 327 Ca 0.11 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1dgf h ALA 327 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1dgf h ALA 327 CO -0.13 0.54 -1.82 0.39 0.00 0.00 0.00 179.25 178.23 1dgf n GLU 328 N -4.26 0.65 -0.01 0.00 1.02 -0.76 -4.35 120.64 112.94 1dgf n GLU 328 Ca 0.01 -0.02 -0.04 0.00 -0.02 0.00 0.00 57.16 57.08 1dgf n GLU 328 Cb 0.36 -1.62 -0.01 0.00 -0.02 0.00 0.00 31.44 30.14 1dgf n GLU 328 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1dgf n VAL 329 N -2.56 0.86 -0.04 2.62 0.31 0.14 -4.28 118.33 115.37 1dgf n VAL 329 Ca -0.11 0.14 0.03 0.00 -0.01 0.00 0.00 64.34 64.39 1dgf n VAL 329 Cb 0.75 -1.68 0.37 0.00 -0.91 0.00 0.00 33.84 32.37 1dgf n VAL 329 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1dgf h GLU 330 N -0.23 0.63 -0.00 5.55 4.57 -1.17 -2.72 114.58 121.20 1dgf h GLU 330 Ca -0.08 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1dgf h GLU 330 Cb 0.66 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1dgf h GLU 330 CO -0.05 0.45 -0.36 1.04 -1.18 0.00 0.00 179.01 178.92 1dgf n GLN 331 N -4.43 0.31 -2.02 1.92 6.02 -0.61 -4.94 117.38 113.63 1dgf n GLN 331 Ca 0.04 -0.17 -0.40 0.00 -0.01 0.00 0.00 57.00 56.46 1dgf n GLN 331 Cb 0.08 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.84 1dgf n GLN 331 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1dgf s ILE 332 N -2.81 2.54 -0.08 5.09 2.07 -1.03 -4.88 121.20 122.10 1dgf s ILE 332 Ca 0.17 0.50 0.00 0.00 -1.41 0.00 0.00 60.65 59.91 1dgf s ILE 332 Cb 0.18 -3.30 0.02 0.00 0.13 0.00 0.00 42.46 39.50 1dgf s ILE 332 CO 0.61 0.08 -0.06 0.00 -1.91 0.00 0.00 174.94 173.66 1dgf s ALA 333 N -1.23 1.04 -0.15 1.50 0.00 -1.26 -5.03 121.76 116.63 1dgf s ALA 333 Ca 0.56 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.18 1dgf s ALA 333 Cb -0.39 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 1dgf s ALA 333 CO 0.51 -0.23 -0.09 -0.06 0.00 0.00 0.00 175.76 175.88 1dgf s PHE 334 N 1.39 2.89 -0.22 0.00 0.08 -1.26 -4.94 117.98 115.92 1dgf s PHE 334 Ca -0.02 -0.60 0.01 0.00 0.12 0.00 0.00 56.93 56.44 1dgf s PHE 334 Cb -0.13 -1.91 0.03 0.00 -0.57 0.00 0.00 43.02 40.44 1dgf s PHE 334 CO -0.03 -0.21 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.22 1dgf s ASP 335 N 0.51 3.76 0.61 1.36 -0.00 -1.26 -4.88 116.67 116.77 1dgf s ASP 335 Ca -0.07 -0.89 0.31 0.00 -0.00 0.00 0.00 52.55 51.90 1dgf s ASP 335 Cb -0.15 -1.54 1.76 0.00 -0.00 0.00 0.00 42.92 42.99 1dgf s ASP 335 CO 0.04 -0.08 2.11 -0.65 -0.00 0.00 0.00 175.17 176.58 1dgf h PRO 336 N 7.91 0.00 0.00 8.23 0.11 -1.83 0.94 132.00 147.37 1dgf h PRO 336 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1dgf h PRO 336 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1dgf h PRO 336 CO 0.58 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.24 1dgf n SER 337 N -3.55 0.27 -4.55 -2.05 3.41 -1.26 -4.40 113.62 101.49 1dgf n SER 337 Ca 0.01 0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 58.75 1dgf n SER 337 Cb 0.31 -0.62 -0.02 0.00 -0.26 0.00 0.00 64.21 63.62 1dgf n SER 337 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1dgf s ASN 338 N -3.51 6.64 -0.09 4.04 0.01 0.33 -4.93 114.94 117.44 1dgf s ASN 338 Ca 0.07 -1.89 0.01 0.00 -0.71 0.00 0.00 52.86 50.35 1dgf s ASN 338 Cb 0.11 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 39.24 1dgf s ASN 338 CO 0.36 -1.33 -0.09 -0.04 -1.51 0.00 0.00 177.10 174.49 1dgf s MET 339 N 4.40 1.54 0.72 -0.60 -1.94 -1.26 -1.47 119.30 120.69 1dgf s MET 339 Ca 0.47 -0.31 -0.11 0.00 -1.71 0.00 0.00 55.69 54.04 1dgf s MET 339 Cb 0.01 -1.45 0.03 0.00 2.01 0.00 0.00 34.83 35.43 1dgf s MET 339 CO -0.04 -0.12 1.09 -1.25 -0.01 0.00 0.00 175.02 174.69 1dgf s PRO 340 N 1.19 2.61 0.20 2.03 0.04 -1.26 -4.92 135.00 134.88 1dgf s PRO 340 Ca -0.05 0.27 -0.33 0.00 0.04 0.00 0.00 61.00 60.94 1dgf s PRO 340 Cb -0.14 -2.05 -0.14 0.00 0.04 0.00 0.00 34.50 32.21 1dgf s PRO 340 CO -0.02 -1.14 1.37 -2.30 0.04 0.00 0.00 177.00 174.95 1dgf n PRO 341 N -3.02 1.76 0.00 0.56 -0.02 -1.26 -1.89 135.00 131.12 1dgf n PRO 341 Ca 0.07 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1dgf n PRO 341 Cb 0.58 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1dgf n PRO 341 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dgf n GLY 342 N 2.37 2.55 2.91 -1.23 0.00 -1.26 -3.36 105.19 107.18 1dgf n GLY 342 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1dgf n GLY 342 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dgf s ILE 343 N -2.43 0.83 0.21 -0.61 1.01 -0.79 -1.74 121.20 117.68 1dgf s ILE 343 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 60.65 60.41 1dgf s ILE 343 Cb 0.00 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 1dgf s ILE 343 CO 0.00 0.31 0.12 -1.61 0.00 0.00 0.00 174.94 173.76 1dgf s GLU 344 N 1.26 1.25 0.71 2.79 2.02 0.83 -4.37 118.70 123.20 1dgf s GLU 344 Ca -0.04 -1.66 -0.11 0.00 0.02 0.00 0.00 54.97 53.17 1dgf s GLU 344 Cb -0.14 0.14 0.02 0.00 0.10 0.00 0.00 34.13 34.25 1dgf s GLU 344 CO -0.02 -0.37 1.08 0.00 0.02 0.00 0.00 175.26 175.96 1dgf s ALA 345 N -4.06 2.70 0.44 5.21 0.00 -1.26 -0.57 121.76 124.22 1dgf s ALA 345 Ca 0.39 -0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.25 1dgf s ALA 345 Cb 0.07 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1dgf s ALA 345 CO 0.12 -1.24 0.17 -1.54 0.00 0.00 0.00 175.76 173.27 1dgf s SER 346 N -4.07 4.36 0.00 0.00 1.04 -1.26 -4.29 113.70 109.48 1dgf s SER 346 Ca 0.58 -1.19 0.13 0.00 0.48 0.00 0.00 55.95 55.96 1dgf s SER 346 Cb -0.13 -0.28 0.80 0.00 0.10 0.00 0.00 66.02 66.52 1dgf s SER 346 CO 0.54 -0.62 1.24 -2.65 0.98 0.00 0.00 173.24 172.72 1dgf n PRO 347 N -1.27 0.55 -1.51 4.02 -0.02 -1.26 -4.67 135.00 130.84 1dgf n PRO 347 Ca -0.03 0.00 -0.55 0.00 -2.02 0.00 0.00 63.50 60.90 1dgf n PRO 347 Cb 0.65 -1.38 -0.08 0.00 -0.02 0.00 0.00 33.50 32.67 1dgf n PRO 347 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1dgf n ASP 348 N -0.88 2.03 -0.35 2.55 -0.08 -1.26 -4.80 116.55 113.76 1dgf n ASP 348 Ca 0.10 0.69 0.13 0.00 -1.51 0.00 0.00 54.79 54.21 1dgf n ASP 348 Cb 0.05 -1.16 0.33 0.00 2.34 0.00 0.00 41.12 42.68 1dgf n ASP 348 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1dgf h LYS 349 N 10.01 0.73 -0.18 -0.67 1.57 -1.81 -0.45 116.57 125.77 1dgf h LYS 349 Ca -0.31 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 1dgf h LYS 349 Cb 1.33 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1dgf h LYS 349 CO 1.01 0.48 0.07 0.52 -0.57 0.00 0.00 179.45 180.96 1dgf h MET 350 N 0.75 0.27 -0.57 3.15 2.86 -1.87 -1.88 114.93 117.64 1dgf h MET 350 Ca 0.57 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 58.14 1dgf h MET 350 Cb 0.90 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 1dgf h MET 350 CO -0.36 0.35 0.30 1.25 1.06 0.00 0.00 176.91 179.51 1dgf h LEU 351 N 0.13 0.72 -0.79 1.22 5.85 -1.68 -2.08 115.31 118.68 1dgf h LEU 351 Ca 0.06 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.76 1dgf h LEU 351 Cb 0.18 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 1dgf h LEU 351 CO -0.00 0.62 0.44 1.56 -0.34 0.00 0.00 178.44 180.71 1dgf h GLN 352 N 0.77 0.73 -0.52 1.25 1.08 -0.94 -1.18 115.11 116.29 1dgf h GLN 352 Ca 0.20 -0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.26 1dgf h GLN 352 Cb 0.07 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 1dgf h GLN 352 CO -0.03 0.48 -0.07 0.78 -0.95 0.00 0.00 178.83 179.05 1dgf h GLY 353 N 0.75 1.02 2.00 3.46 0.00 -0.98 -2.74 103.07 106.58 1dgf h GLY 353 Ca 0.38 -0.77 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1dgf h GLY 353 CO -0.24 0.71 -0.19 3.21 0.00 0.00 0.00 176.54 180.03 1dgf h ARG 354 N 0.85 0.00 -0.53 4.80 3.08 -0.58 -2.42 114.38 119.58 1dgf h ARG 354 Ca 0.14 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.27 1dgf h ARG 354 Cb 0.60 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 1dgf h ARG 354 CO 0.04 0.19 0.36 -0.07 -1.07 0.00 0.00 179.97 179.41 1dgf h LEU 355 N 0.00 0.37 0.00 3.04 3.38 -0.94 -3.13 115.31 118.04 1dgf h LEU 355 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1dgf h LEU 355 Cb 0.40 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1dgf h LEU 355 CO 0.02 0.24 -0.81 0.15 0.09 0.00 0.00 178.44 178.13 1dgf h PHE 356 N 0.42 0.00 -0.78 1.13 3.57 -1.56 -3.43 116.94 116.30 1dgf h PHE 356 Ca 0.24 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.90 1dgf h PHE 356 Cb 0.39 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.02 1dgf h PHE 356 CO -0.00 1.00 0.26 0.00 -2.23 0.00 0.00 178.31 177.34 1dgf h ALA 357 N -0.55 1.09 0.21 2.41 0.00 -1.40 -2.92 119.26 118.10 1dgf h ALA 357 Ca -0.19 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1dgf h ALA 357 Cb 1.00 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1dgf h ALA 357 CO -0.12 -0.29 -0.10 1.88 0.00 0.00 0.00 179.25 180.62 1dgf h TYR 358 N 0.36 -0.27 -0.47 0.00 0.05 -1.81 0.12 116.97 114.95 1dgf h TYR 358 Ca 0.45 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.20 1dgf h TYR 358 Cb 0.75 0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.56 1dgf h TYR 358 CO -0.20 0.07 0.22 -1.35 -1.05 0.00 0.00 178.16 175.85 1dgf h PRO 359 N -0.63 0.66 0.37 4.88 0.11 -1.82 -0.43 132.00 135.13 1dgf h PRO 359 Ca -0.03 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 1dgf h PRO 359 Cb 0.46 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1dgf h PRO 359 CO 0.05 0.52 -0.18 0.22 -0.21 0.00 0.00 178.00 178.40 1dgf h ASP 360 N 0.66 -0.42 0.26 -2.05 3.58 -1.44 -1.21 116.42 115.80 1dgf h ASP 360 Ca 0.17 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.54 1dgf h ASP 360 Cb 0.08 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1dgf h ASP 360 CO -0.02 -0.27 -0.30 0.00 -2.88 0.00 0.00 179.24 175.77 1dgf h THR 361 N -0.53 1.24 -0.24 2.25 1.03 -0.71 -2.71 112.91 113.24 1dgf h THR 361 Ca -0.05 -1.11 -0.12 0.00 -0.01 0.00 0.00 66.41 65.11 1dgf h THR 361 Cb 0.40 1.54 -0.01 0.00 -1.07 0.00 0.00 68.15 69.01 1dgf h THR 361 CO 0.08 0.33 -0.36 0.45 -0.01 0.00 0.00 175.52 176.01 1dgf h HIS 362 N 0.07 0.61 0.00 0.00 3.86 -0.85 0.23 115.15 119.07 1dgf h HIS 362 Ca 0.01 -0.16 -0.03 0.00 -1.16 0.00 0.00 60.37 59.03 1dgf h HIS 362 Cb 0.57 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 1dgf h HIS 362 CO 0.00 0.81 -0.14 0.00 0.86 0.00 0.00 177.93 179.46 1dgf h ARG 363 N 0.44 0.00 0.00 2.45 3.08 -0.90 -0.81 114.38 118.64 1dgf h ARG 363 Ca 0.05 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 1dgf h ARG 363 Cb 0.84 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1dgf h ARG 363 CO 0.07 0.14 -0.58 1.25 -1.07 0.00 0.00 179.97 179.78 1dgf h HIS 364 N 0.00 0.00 -0.51 3.04 2.76 -1.32 -3.05 115.15 116.07 1dgf h HIS 364 Ca -0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1dgf h HIS 364 Cb 0.36 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 1dgf h HIS 364 CO 0.00 0.64 0.27 -0.09 -1.30 0.00 0.00 177.93 177.45 1dgf h ARG 365 N -1.00 0.72 0.00 5.26 2.43 -0.53 -3.38 114.38 117.88 1dgf h ARG 365 Ca -0.11 -0.09 -0.23 0.00 -0.81 0.00 0.00 59.98 58.74 1dgf h ARG 365 Cb 0.75 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 1dgf h ARG 365 CO -0.07 0.58 -1.69 1.28 -1.51 0.00 0.00 179.97 178.56 1dgf n LEU 366 N -4.63 1.72 0.00 3.80 4.77 -0.36 -4.40 117.00 117.90 1dgf n LEU 366 Ca 0.02 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1dgf n LEU 366 Cb 0.10 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1dgf n LEU 366 CO 0.37 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1dgf n GLY 367 N 1.63 3.42 0.35 -0.72 0.00 -0.86 -4.89 105.19 104.12 1dgf n GLY 367 Ca -0.32 -1.36 0.17 0.00 0.00 0.00 0.00 46.02 44.51 1dgf n GLY 367 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dgf h PRO 368 N 0.00 0.58 -0.94 1.61 0.11 -1.85 -1.63 132.00 129.88 1dgf h PRO 368 Ca 0.00 -0.03 -0.62 0.00 0.11 0.00 0.00 66.00 65.46 1dgf h PRO 368 Cb 0.00 -0.13 -0.30 0.00 0.11 0.00 0.00 31.00 30.68 1dgf h PRO 368 CO 0.00 0.38 0.62 0.09 -0.21 0.00 0.00 178.00 178.88 1dgf n ASN 369 N -4.83 6.49 0.30 -2.05 3.02 -1.26 -4.70 115.26 112.23 1dgf n ASN 369 Ca 0.26 -3.76 0.18 0.00 -0.03 0.00 0.00 54.58 51.23 1dgf n ASN 369 Cb 0.73 -0.87 1.00 0.00 -0.61 0.00 0.00 39.78 40.03 1dgf n ASN 369 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1dgf h TYR 370 N 1.80 0.00 0.00 3.10 -0.00 -1.62 -0.46 116.97 119.79 1dgf h TYR 370 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.30 1dgf h TYR 370 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.02 1dgf h TYR 370 CO 1.39 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.83 1dgf n LEU 371 N -3.59 0.56 0.13 0.10 4.77 -1.26 -2.36 117.00 115.34 1dgf n LEU 371 Ca -0.03 0.63 -0.01 0.00 -0.03 0.00 0.00 56.01 56.57 1dgf n LEU 371 Cb 0.10 -0.54 0.12 0.00 -2.33 0.00 0.00 43.42 40.78 1dgf n LEU 371 CO 0.25 -0.46 0.44 0.45 -1.33 0.00 0.00 177.39 176.74 1dgf h HIS 372 N 0.00 0.00 -2.58 -1.77 3.86 -1.41 -3.19 115.15 110.06 1dgf h HIS 372 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 1dgf h HIS 372 Cb 0.39 0.00 0.04 0.00 1.06 0.00 0.00 27.41 28.90 1dgf h HIS 372 CO 0.00 0.65 1.08 0.42 0.86 0.00 0.00 177.93 180.94 1dgf s ILE 373 N -3.33 2.42 0.17 2.45 1.01 -0.99 -4.74 121.20 118.19 1dgf s ILE 373 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.58 1dgf s ILE 373 Cb 0.11 -3.04 0.17 0.00 0.01 0.00 0.00 42.46 39.71 1dgf s ILE 373 CO 0.76 0.00 1.15 -2.65 0.00 0.00 0.00 174.94 174.20 1dgf n PRO 374 N 5.22 -0.18 0.29 2.79 -0.02 -1.26 -0.59 135.00 141.26 1dgf n PRO 374 Ca 0.17 1.14 0.17 0.00 -2.02 0.00 0.00 63.50 62.96 1dgf n PRO 374 Cb 0.37 -1.69 0.88 0.00 -0.02 0.00 0.00 33.50 33.04 1dgf n PRO 374 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1dgf h VAL 375 N 0.00 0.24 -0.00 -1.45 3.04 -1.89 -2.38 116.25 113.81 1dgf h VAL 375 Ca 0.25 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1dgf h VAL 375 Cb 0.44 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 1dgf h VAL 375 CO -0.74 0.05 -0.72 0.59 -1.01 0.00 0.00 177.57 175.74 1dgf n ASN 376 N -3.33 0.88 -4.74 3.17 3.02 0.25 -4.91 115.26 109.60 1dgf n ASN 376 Ca -0.02 -0.74 -0.41 0.00 -0.03 0.00 0.00 54.58 53.38 1dgf n ASN 376 Cb 0.20 0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 39.96 1dgf n ASN 376 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dgf n PRO 378 N 2.43 3.26 0.14 0.00 -0.04 -1.26 -4.77 135.00 134.75 1dgf n PRO 378 Ca 0.06 -3.14 0.10 0.00 -0.04 0.00 0.00 63.50 60.49 1dgf n PRO 378 Cb 0.41 -3.12 0.52 0.00 -0.04 0.00 0.00 33.50 31.27 1dgf n PRO 378 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1dgf n TYR 379 N 5.21 0.69 -0.50 0.54 4.11 -1.26 -1.88 117.16 124.06 1dgf n TYR 379 Ca 0.45 0.34 0.11 0.00 -0.00 0.00 0.00 57.90 58.80 1dgf n TYR 379 Cb 0.38 -1.04 0.35 0.00 -0.00 0.00 0.00 39.34 39.03 1dgf n TYR 379 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1dgf n ARG 380 N -2.19 3.28 -4.05 -3.48 1.74 -1.26 -4.91 116.66 105.79 1dgf n ARG 380 Ca -0.00 -2.79 -0.12 0.00 -0.77 0.00 0.00 57.85 54.16 1dgf n ARG 380 Cb 0.08 -1.75 -0.11 0.00 -1.02 0.00 0.00 32.46 29.65 1dgf n ARG 380 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dgf s ALA 381 N -1.46 0.49 -0.36 7.54 0.00 -0.79 -4.18 121.76 123.01 1dgf s ALA 381 Ca 0.51 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 51.52 1dgf s ALA 381 Cb 0.30 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.50 1dgf s ALA 381 CO 0.29 -0.07 0.54 0.50 0.00 0.00 0.00 175.76 177.02 1dgf s ARG 382 N -1.72 3.58 -0.27 0.00 3.52 -1.26 -4.88 118.95 117.91 1dgf s ARG 382 Ca -0.10 -0.17 -0.28 0.00 -0.13 0.00 0.00 55.73 55.05 1dgf s ARG 382 Cb -0.09 -3.83 0.01 0.00 -1.56 0.00 0.00 34.95 29.48 1dgf s ARG 382 CO -0.00 -0.70 0.99 0.08 -0.81 0.00 0.00 175.30 174.86 1dgf s VAL 383 N 2.46 4.65 -0.11 7.11 1.01 -1.26 -4.99 120.40 129.27 1dgf s VAL 383 Ca 0.20 1.75 -0.04 0.00 0.00 0.00 0.00 61.98 63.89 1dgf s VAL 383 Cb -0.15 -4.30 0.06 0.00 0.00 0.00 0.00 36.38 31.98 1dgf s VAL 383 CO 0.14 -0.29 0.19 0.00 0.00 0.00 0.00 175.10 175.14 1dgf s ALA 384 N 3.29 -0.24 0.00 5.51 0.00 -1.26 -5.07 121.76 123.99 1dgf s ALA 384 Ca 0.42 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1dgf s ALA 384 Cb -0.14 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.06 1dgf s ALA 384 CO 0.10 -0.67 0.00 0.27 0.00 0.00 0.00 175.76 175.46 1dgf n ASN 385 N 5.33 0.00 -0.60 0.00 0.23 -1.26 -4.91 115.26 114.05 1dgf n ASN 385 Ca -0.05 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.08 1dgf n ASN 385 Cb 0.50 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.41 1dgf n ASN 385 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1dgf n TYR 386 N 0.00 0.59 -3.29 -2.53 4.02 -1.26 -4.90 117.16 109.78 1dgf n TYR 386 Ca 0.00 -0.98 -0.39 0.00 -0.01 0.00 0.00 57.90 56.52 1dgf n TYR 386 Cb 0.00 -0.26 -0.06 0.00 -0.02 0.00 0.00 39.34 39.00 1dgf n TYR 386 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1dgf s GLN 387 N -2.89 4.20 0.10 -0.72 -0.21 -1.26 -4.87 119.66 114.02 1dgf s GLN 387 Ca 0.39 0.67 -0.07 0.00 0.02 0.00 0.00 55.36 56.37 1dgf s GLN 387 Cb 0.32 -3.28 -0.01 0.00 1.00 0.00 0.00 33.01 31.04 1dgf s GLN 387 CO 0.06 0.54 0.17 1.03 -2.12 0.00 0.00 175.29 174.96 1dgf s ARG 388 N -0.72 0.89 4.85 2.91 1.81 -1.26 -4.93 118.95 122.50 1dgf s ARG 388 Ca 0.29 -1.10 0.00 0.00 -1.72 0.00 0.00 55.73 53.20 1dgf s ARG 388 Cb -0.18 0.32 0.00 0.00 -0.45 0.00 0.00 34.95 34.64 1dgf s ARG 388 CO 0.17 -0.28 0.00 -0.25 -0.68 0.00 0.00 175.30 174.26 1dgf n ASP 389 N -0.07 0.00 0.00 0.23 8.00 -1.26 -5.06 116.55 118.38 1dgf n ASP 389 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1dgf n ASP 389 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1dgf n ASP 389 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dgf n GLY 390 N 0.00 -0.34 3.71 0.44 0.00 -1.26 -4.75 105.19 102.99 1dgf n GLY 390 Ca 0.00 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 1dgf n GLY 390 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1dgf n PRO 391 N -0.11 1.90 -3.77 1.61 -0.02 -1.26 -3.41 135.00 129.93 1dgf n PRO 391 Ca 0.00 0.68 -0.25 0.00 -2.02 0.00 0.00 63.50 61.90 1dgf n PRO 391 Cb 0.00 -2.41 0.02 0.00 -0.02 0.00 0.00 33.50 31.09 1dgf n PRO 391 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1dgf n MET 392 N -0.10 -3.17 -2.33 -0.52 2.81 -1.26 -4.27 117.12 108.28 1dgf n MET 392 Ca 0.07 0.50 -0.39 0.00 -1.81 0.00 0.00 57.70 56.07 1dgf n MET 392 Cb 0.40 -4.66 -0.03 0.00 -0.71 0.00 0.00 33.22 28.23 1dgf n MET 392 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1dgf n MET 394 N 9.21 2.15 -4.19 0.00 2.81 -1.26 -4.90 117.12 120.94 1dgf n MET 394 Ca 0.16 -2.41 -0.15 0.00 -1.81 0.00 0.00 57.70 53.49 1dgf n MET 394 Cb 0.50 -1.96 -0.08 0.00 -0.71 0.00 0.00 33.22 30.98 1dgf n MET 394 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1dgf s GLN 395 N -2.62 1.56 0.00 0.03 -0.21 -1.26 -5.01 119.66 112.15 1dgf s GLN 395 Ca 0.45 -1.75 0.00 0.00 0.02 0.00 0.00 55.36 54.08 1dgf s GLN 395 Cb 0.38 0.34 0.00 0.00 1.00 0.00 0.00 33.01 34.73 1dgf s GLN 395 CO 0.09 -0.58 0.40 -3.47 -2.12 0.00 0.00 175.29 169.61 1dgf n ASP 396 N -0.93 0.20 -3.02 5.90 2.03 -1.26 -4.79 116.55 114.68 1dgf n ASP 396 Ca 0.03 -0.99 -0.22 0.00 0.52 0.00 0.00 54.79 54.14 1dgf n ASP 396 Cb 0.63 -0.10 0.02 0.00 -0.72 0.00 0.00 41.12 40.95 1dgf n ASP 396 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1dgf n ASN 397 N -0.20 -5.29 -1.52 1.67 5.15 -1.26 -1.03 115.26 112.78 1dgf n ASN 397 Ca 0.00 -0.26 -0.16 0.00 -0.60 0.00 0.00 54.58 53.56 1dgf n ASN 397 Cb 0.05 -4.32 -0.04 0.00 -0.53 0.00 0.00 39.78 34.94 1dgf n ASN 397 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1dgf n GLN 398 N -3.78 -1.21 0.00 1.20 6.02 -1.26 -4.85 117.38 113.50 1dgf n GLN 398 Ca -0.10 0.96 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 1dgf n GLN 398 Cb 0.60 -5.24 0.00 0.00 1.02 0.00 0.00 30.24 26.62 1dgf n GLN 398 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dgf n GLY 399 N -0.99 2.84 1.42 1.08 0.00 -0.20 -2.79 105.19 106.55 1dgf n GLY 399 Ca -0.18 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.79 1dgf n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dgf n GLY 400 N 0.00 2.35 3.78 -0.02 0.00 -1.26 -5.00 105.19 105.04 1dgf n GLY 400 Ca 0.00 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 1dgf n GLY 400 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dgf s ALA 401 N -1.87 3.58 0.03 4.61 0.00 -1.12 -4.89 121.76 122.10 1dgf s ALA 401 Ca 0.44 1.53 -0.37 0.00 0.00 0.00 0.00 51.96 53.56 1dgf s ALA 401 Cb 0.29 -3.59 -0.16 0.00 0.00 0.00 0.00 23.12 19.65 1dgf s ALA 401 CO 0.20 -0.99 1.46 -2.30 0.00 0.00 0.00 175.76 174.13 1dgf n PRO 402 N 0.67 1.34 -0.68 0.00 -0.02 -1.26 -4.89 135.00 130.16 1dgf n PRO 402 Ca 0.01 0.48 0.08 0.00 -2.02 0.00 0.00 63.50 62.06 1dgf n PRO 402 Cb 0.39 -2.16 0.35 0.00 -0.02 0.00 0.00 33.50 32.07 1dgf n PRO 402 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1dgf n ASN 403 N 3.27 4.85 -4.10 2.55 0.23 -1.26 -4.90 115.26 115.90 1dgf n ASN 403 Ca 0.20 -2.58 -0.17 0.00 -0.53 0.00 0.00 54.58 51.50 1dgf n ASN 403 Cb 0.20 -0.60 -0.12 0.00 -2.08 0.00 0.00 39.78 37.17 1dgf n ASN 403 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 1dgf s TYR 404 N -2.12 0.94 -0.05 -2.53 -0.85 -1.26 -4.85 117.35 106.63 1dgf s TYR 404 Ca 0.49 -0.40 0.03 0.00 -0.52 0.00 0.00 57.07 56.67 1dgf s TYR 404 Cb 0.34 -0.56 0.01 0.00 0.38 0.00 0.00 41.96 42.13 1dgf s TYR 404 CO 0.20 -0.01 -0.13 -0.47 -1.52 0.00 0.00 175.55 173.63 1dgf s TYR 405 N -1.05 1.39 0.74 -3.49 5.04 -1.26 -3.97 117.35 114.76 1dgf s TYR 405 Ca -0.03 -0.45 -0.11 0.00 -2.44 0.00 0.00 57.07 54.04 1dgf s TYR 405 Cb -0.08 -0.99 0.04 0.00 0.35 0.00 0.00 41.96 41.27 1dgf s TYR 405 CO 0.01 -0.20 1.10 -1.25 -1.34 0.00 0.00 175.55 173.86 1dgf s PRO 406 N 0.39 2.56 0.11 4.97 0.04 -1.26 -5.21 135.00 136.60 1dgf s PRO 406 Ca -0.09 0.54 -0.10 0.00 0.04 0.00 0.00 61.00 61.40 1dgf s PRO 406 Cb -0.13 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1dgf s PRO 406 CO 0.02 -1.26 0.23 0.54 0.04 0.00 0.00 177.00 176.57 1dgf s ASN 407 N -4.17 0.07 -0.25 6.66 2.20 -1.25 -5.05 114.94 113.14 1dgf s ASN 407 Ca 0.59 -0.65 0.13 0.00 -0.94 0.00 0.00 52.86 51.99 1dgf s ASN 407 Cb -0.12 0.37 0.67 0.00 -2.00 0.00 0.00 41.25 40.17 1dgf s ASN 407 CO 0.53 -0.77 1.63 -1.20 -2.94 0.00 0.00 177.10 174.35 1dgf n SER 408 N -0.11 4.50 -0.38 3.54 7.64 -1.26 -4.60 113.62 122.95 1dgf n SER 408 Ca -0.14 -3.15 0.09 0.00 1.01 0.00 0.00 58.87 56.69 1dgf n SER 408 Cb 0.63 -0.65 0.18 0.00 -1.01 0.00 0.00 64.21 63.36 1dgf n SER 408 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1dgf n PHE 409 N -0.20 0.34 -1.03 1.43 3.01 -1.26 -5.00 117.46 114.75 1dgf n PHE 409 Ca 0.31 -0.97 -0.01 0.00 1.01 0.00 0.00 57.45 57.78 1dgf n PHE 409 Cb 1.15 -0.21 -0.00 0.00 -0.01 0.00 0.00 39.48 40.40 1dgf n PHE 409 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dgf n GLY 410 N -1.11 0.48 3.81 1.37 0.00 -1.26 -4.91 105.19 103.57 1dgf n GLY 410 Ca 0.18 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 1dgf n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dgf s ALA 411 N -2.02 1.88 0.21 4.61 0.00 -1.26 -4.96 121.76 120.22 1dgf s ALA 411 Ca 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 1dgf s ALA 411 Cb 0.00 -2.97 -0.16 0.00 0.00 0.00 0.00 23.12 19.99 1dgf s ALA 411 CO 0.00 -2.34 0.83 -2.30 0.00 0.00 0.00 175.76 171.95 1dgf n PRO 412 N -3.79 0.63 -4.89 0.00 -0.02 -1.26 -5.01 135.00 120.67 1dgf n PRO 412 Ca 0.09 0.22 -0.31 0.00 -2.02 0.00 0.00 63.50 61.48 1dgf n PRO 412 Cb 0.60 -1.46 -0.14 0.00 -0.02 0.00 0.00 33.50 32.48 1dgf n PRO 412 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1dgf s GLU 413 N -1.01 2.12 0.66 -0.52 0.41 -1.26 -5.03 118.70 114.06 1dgf s GLU 413 Ca 0.66 -0.94 -0.17 0.00 -0.41 0.00 0.00 54.97 54.11 1dgf s GLU 413 Cb -0.87 -2.16 -0.00 0.00 -1.78 0.00 0.00 34.13 29.33 1dgf s GLU 413 CO 0.57 0.56 1.21 1.14 -0.49 0.00 0.00 175.26 178.24 1dgf s GLN 414 N -1.08 2.58 -0.32 1.61 -2.07 -1.26 -5.00 119.66 114.12 1dgf s GLN 414 Ca 0.12 1.78 -0.01 0.00 -1.82 0.00 0.00 55.36 55.43 1dgf s GLN 414 Cb -0.10 -1.89 0.06 0.00 -1.09 0.00 0.00 33.01 30.00 1dgf s GLN 414 CO 0.02 -1.50 0.03 -1.14 -1.32 0.00 0.00 175.29 171.39 1dgf s GLN 415 N -3.64 2.28 0.38 9.60 0.74 -1.26 -5.00 119.66 122.75 1dgf s GLN 415 Ca 0.76 -1.41 0.18 0.00 0.05 0.00 0.00 55.36 54.93 1dgf s GLN 415 Cb -0.30 -3.24 1.10 0.00 1.10 0.00 0.00 33.01 31.67 1dgf s GLN 415 CO 0.39 -0.72 1.73 -1.35 -0.55 0.00 0.00 175.29 174.80 1dgf h PRO 416 N 7.97 0.38 0.00 1.67 0.11 -2.00 0.11 132.00 140.23 1dgf h PRO 416 Ca -0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1dgf h PRO 416 Cb 1.05 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1dgf h PRO 416 CO 0.56 0.25 0.00 0.66 -0.21 0.00 0.00 178.00 179.26 1dgf h SER 417 N 0.39 0.00 0.18 -2.05 4.64 -2.04 -2.25 113.55 112.42 1dgf h SER 417 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 1dgf h SER 417 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1dgf h SER 417 CO -0.38 0.00 -0.10 0.00 -0.87 0.00 0.00 176.83 175.48 1dgf n ALA 418 N -2.02 2.78 -1.72 5.18 0.00 0.39 -4.93 120.51 120.18 1dgf n ALA 418 Ca -0.01 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 1dgf n ALA 418 Cb 0.20 -1.26 -0.00 0.00 0.00 0.00 0.00 19.45 18.38 1dgf n ALA 418 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1dgf n LEU 419 N -0.57 3.91 -4.80 0.00 7.94 -0.85 -4.90 117.00 117.73 1dgf n LEU 419 Ca 0.16 1.21 -0.32 0.00 -1.11 0.00 0.00 56.01 55.96 1dgf n LEU 419 Cb 0.30 -1.52 0.05 0.00 0.53 0.00 0.00 43.42 42.77 1dgf n LEU 419 CO 0.22 -0.30 0.71 -1.61 -1.11 0.00 0.00 177.39 175.30 1dgf s GLU 420 N -1.94 2.85 0.24 1.96 8.01 -1.26 -5.01 118.70 123.55 1dgf s GLU 420 Ca 0.55 1.10 -0.30 0.00 0.01 0.00 0.00 54.97 56.33 1dgf s GLU 420 Cb -0.54 -1.97 -0.09 0.00 -4.31 0.00 0.00 34.13 27.22 1dgf s GLU 420 CO 0.63 -1.18 1.20 -1.58 0.01 0.00 0.00 175.26 174.34 1dgf s HIS 421 N -2.81 3.39 -0.19 1.61 5.65 -1.26 -5.02 115.29 116.66 1dgf s HIS 421 Ca 0.61 1.48 -0.09 0.00 0.25 0.00 0.00 55.06 57.31 1dgf s HIS 421 Cb -0.16 -3.45 -0.05 0.00 -1.18 0.00 0.00 32.58 27.75 1dgf s HIS 421 CO 0.50 -1.20 0.10 0.45 -0.65 0.00 0.00 174.74 173.94 1dgf s SER 422 N -0.23 5.97 -0.02 9.88 0.15 -1.26 -5.09 113.70 123.10 1dgf s SER 422 Ca 0.50 0.17 0.04 0.00 0.70 0.00 0.00 55.95 57.36 1dgf s SER 422 Cb -0.34 -2.04 -0.01 0.00 -1.71 0.00 0.00 66.02 61.92 1dgf s SER 422 CO 0.41 0.18 -0.14 -0.63 1.20 0.00 0.00 173.24 174.25 1dgf s ILE 423 N 0.38 1.15 -0.01 6.45 1.01 -1.26 -5.14 121.20 123.78 1dgf s ILE 423 Ca 0.06 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.93 1dgf s ILE 423 Cb -0.12 -0.96 -0.06 0.00 0.01 0.00 0.00 42.46 41.33 1dgf s ILE 423 CO -0.01 0.33 0.48 -1.58 0.00 0.00 0.00 174.94 174.16 1dgf s GLN 424 N -0.24 4.12 0.05 2.79 0.74 -1.26 -5.08 119.66 120.77 1dgf s GLN 424 Ca 0.04 0.53 0.06 0.00 0.05 0.00 0.00 55.36 56.04 1dgf s GLN 424 Cb -0.07 -3.28 -0.02 0.00 1.10 0.00 0.00 33.01 30.74 1dgf s GLN 424 CO -0.00 0.53 -0.17 0.71 -0.55 0.00 0.00 175.29 175.81 1dgf s TYR 425 N -0.64 1.50 0.07 1.67 2.02 -1.26 -5.15 117.35 115.55 1dgf s TYR 425 Ca 0.26 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.61 1dgf s TYR 425 Cb -0.17 -0.88 -0.03 0.00 -0.40 0.00 0.00 41.96 40.47 1dgf s TYR 425 CO 0.14 0.07 -0.07 -1.12 -1.57 0.00 0.00 175.55 173.00 1dgf s SER 426 N -1.22 1.00 0.00 2.29 0.01 -1.26 -5.13 113.70 109.39 1dgf s SER 426 Ca 0.04 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1dgf s SER 426 Cb -0.08 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1dgf s SER 426 CO 0.02 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.96 1dgf n GLY 427 N 0.81 2.70 3.77 3.44 0.00 -1.26 -5.08 105.19 109.57 1dgf n GLY 427 Ca -0.18 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 1dgf n GLY 427 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dgf s GLU 428 N -1.85 4.03 -0.73 1.61 2.02 -1.26 -4.96 118.70 117.57 1dgf s GLU 428 Ca 0.00 1.76 -0.19 0.00 0.02 0.00 0.00 54.97 56.56 1dgf s GLU 428 Cb 0.00 -2.61 0.12 0.00 0.10 0.00 0.00 34.13 31.74 1dgf s GLU 428 CO 0.00 -0.32 0.88 0.08 0.02 0.00 0.00 175.26 175.93 1dgf s VAL 429 N -1.48 4.79 0.25 2.63 1.01 -1.26 -4.95 120.40 121.38 1dgf s VAL 429 Ca 0.58 -1.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 1dgf s VAL 429 Cb -0.29 -4.61 0.03 0.00 0.00 0.00 0.00 36.38 31.51 1dgf s VAL 429 CO 0.36 -1.29 0.46 -2.11 0.00 0.00 0.00 175.10 172.51 1dgf n ARG 430 N 6.39 0.66 -3.09 2.72 1.85 -1.26 -5.12 116.66 118.80 1dgf n ARG 430 Ca 0.04 -1.56 -0.42 0.00 -1.00 0.00 0.00 57.85 54.90 1dgf n ARG 430 Cb 0.45 1.80 -0.06 0.00 -1.05 0.00 0.00 32.46 33.60 1dgf n ARG 430 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1dgf s ARG 431 N -2.20 3.50 -0.23 2.89 0.52 -1.26 -5.04 118.95 117.14 1dgf s ARG 431 Ca 0.13 -0.12 -0.13 0.00 -0.52 0.00 0.00 55.73 55.09 1dgf s ARG 431 Cb -0.02 -3.88 -0.04 0.00 0.52 0.00 0.00 34.95 31.53 1dgf s ARG 431 CO 0.09 -0.88 0.27 -0.06 0.02 0.00 0.00 175.30 174.75 1dgf s PHE 432 N 2.82 3.33 0.10 -0.53 0.08 -1.26 -5.06 117.98 117.46 1dgf s PHE 432 Ca 0.24 0.39 -0.31 0.00 0.12 0.00 0.00 56.93 57.38 1dgf s PHE 432 Cb -0.14 -2.40 -0.07 0.00 -0.57 0.00 0.00 43.02 39.84 1dgf s PHE 432 CO 0.17 0.01 1.32 1.21 -0.10 0.00 0.00 175.22 177.83 1dgf s ASN 433 N 1.11 6.92 -0.00 1.36 2.47 -1.26 -4.91 114.94 120.62 1dgf s ASN 433 Ca 0.13 2.23 0.00 0.00 0.42 0.00 0.00 52.86 55.63 1dgf s ASN 433 Cb -0.14 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 1dgf s ASN 433 CO 0.06 -0.58 0.90 0.35 -3.72 0.00 0.00 177.10 174.11 1dgf n THR 434 N 3.87 0.79 0.05 -5.21 -2.24 -1.26 -4.74 114.28 105.55 1dgf n THR 434 Ca 0.10 -0.80 0.03 0.00 -2.27 0.00 0.00 64.05 61.11 1dgf n THR 434 Cb 0.44 0.60 0.41 0.00 -2.10 0.00 0.00 70.33 69.67 1dgf n THR 434 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dgf h ALA 435 N 0.00 1.61 -0.46 6.98 0.00 -2.01 -2.50 119.26 122.88 1dgf h ALA 435 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1dgf h ALA 435 Cb 0.61 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1dgf h ALA 435 CO 0.00 0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.64 1dgf n ASN 436 N -4.39 4.05 -4.66 0.00 5.03 -1.26 -4.76 115.26 109.26 1dgf n ASN 436 Ca 0.01 -2.49 -0.29 0.00 0.87 0.00 0.00 54.58 52.69 1dgf n ASN 436 Cb 0.15 -0.56 0.18 0.00 -1.02 0.00 0.00 39.78 38.54 1dgf n ASN 436 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1dgf s ASP 437 N -0.69 2.47 0.06 6.41 -0.00 -0.94 -4.87 116.67 119.11 1dgf s ASP 437 Ca 0.39 1.18 -0.32 0.00 -0.00 0.00 0.00 52.55 53.80 1dgf s ASP 437 Cb 0.27 -1.85 -0.11 0.00 -0.00 0.00 0.00 42.92 41.23 1dgf s ASP 437 CO 0.15 -3.23 1.84 -0.67 -0.00 0.00 0.00 175.17 173.26 1dgf n ASP 438 N -4.24 3.80 -0.13 0.27 2.03 -1.26 -4.85 116.55 112.17 1dgf n ASP 438 Ca 0.05 0.98 0.03 0.00 0.52 0.00 0.00 54.79 56.37 1dgf n ASP 438 Cb 0.57 -1.49 -0.00 0.00 -0.72 0.00 0.00 41.12 39.49 1dgf n ASP 438 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1dgf n ASN 439 N 5.89 0.91 0.00 1.67 3.02 -1.26 -4.84 115.26 120.65 1dgf n ASN 439 Ca 0.19 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1dgf n ASN 439 Cb 0.35 0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 1dgf n ASN 439 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1dgf n VAL 440 N -0.34 0.00 0.12 2.41 0.24 -1.26 -4.55 118.33 114.95 1dgf n VAL 440 Ca 0.02 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.19 1dgf n VAL 440 Cb 0.12 -0.49 -0.06 0.00 -1.47 0.00 0.00 33.84 31.93 1dgf n VAL 440 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1dgf h THR 441 N 0.00 0.29 0.00 3.34 2.02 -1.94 -0.13 112.91 116.50 1dgf h THR 441 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1dgf h THR 441 Cb 0.58 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1dgf h THR 441 CO 0.00 0.00 -0.27 1.56 0.37 0.00 0.00 175.52 177.18 1dgf h GLN 442 N -0.58 0.00 -0.44 6.66 4.20 -1.94 -2.64 115.11 120.37 1dgf h GLN 442 Ca 0.03 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 1dgf h GLN 442 Cb 0.60 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 1dgf h GLN 442 CO -0.19 0.27 -0.19 0.28 -0.67 0.00 0.00 178.83 178.34 1dgf h VAL 443 N 0.00 1.27 -0.57 -0.54 2.07 -1.71 -1.89 116.25 114.88 1dgf h VAL 443 Ca -0.00 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 1dgf h VAL 443 Cb 0.62 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1dgf h VAL 443 CO 0.04 0.45 0.25 -0.09 0.02 0.00 0.00 177.57 178.23 1dgf h ARG 444 N 0.76 0.83 -0.77 1.57 2.43 -0.69 -0.07 114.38 118.44 1dgf h ARG 444 Ca 0.11 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1dgf h ARG 444 Cb 0.72 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1dgf h ARG 444 CO 0.06 0.70 0.39 0.00 -1.51 0.00 0.00 179.97 179.60 1dgf h ALA 445 N 1.09 1.23 0.04 2.80 0.00 -1.28 0.14 119.26 123.28 1dgf h ALA 445 Ca 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1dgf h ALA 445 Cb 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1dgf h ALA 445 CO -0.02 0.60 -0.02 0.35 0.00 0.00 0.00 179.25 180.16 1dgf h PHE 446 N 1.09 -0.04 -0.52 0.00 3.57 -0.91 0.58 116.94 120.71 1dgf h PHE 446 Ca 0.27 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.78 1dgf h PHE 446 Cb 0.08 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1dgf h PHE 446 CO 0.01 0.30 0.33 -0.92 -2.23 0.00 0.00 178.31 175.80 1dgf h TYR 447 N -0.39 0.63 0.09 0.41 5.03 -0.74 -2.19 116.97 119.81 1dgf h TYR 447 Ca -0.00 0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.17 1dgf h TYR 447 Cb 0.36 -0.21 0.01 0.00 1.55 0.00 0.00 36.73 38.44 1dgf h TYR 447 CO 0.04 0.38 -0.73 0.28 -1.32 0.00 0.00 178.16 176.82 1dgf h VAL 448 N 0.67 1.46 0.00 1.81 2.07 -0.75 -3.37 116.25 118.14 1dgf h VAL 448 Ca 0.20 -2.43 -0.37 0.00 0.82 0.00 0.00 66.70 64.91 1dgf h VAL 448 Cb -0.04 3.09 -0.07 0.00 -1.52 0.00 0.00 31.29 32.76 1dgf h VAL 448 CO -0.06 0.65 -2.42 0.59 0.02 0.00 0.00 177.57 176.35 1dgf n ASN 449 N -4.25 1.84 0.02 0.57 5.03 0.18 -4.57 115.26 114.07 1dgf n ASN 449 Ca -0.16 -0.12 -0.11 0.00 0.87 0.00 0.00 54.58 55.06 1dgf n ASN 449 Cb 0.73 -0.23 0.02 0.00 -1.02 0.00 0.00 39.78 39.27 1dgf n ASN 449 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1dgf h VAL 450 N 0.00 1.34 -2.43 2.41 2.07 -1.26 -3.45 116.25 114.93 1dgf h VAL 450 Ca -0.56 -1.96 -0.52 0.00 0.82 0.00 0.00 66.70 64.48 1dgf h VAL 450 Cb 1.91 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 33.58 1dgf h VAL 450 CO -0.07 0.60 -0.48 -0.76 0.02 0.00 0.00 177.57 176.88 1dgf s LEU 451 N -8.21 4.16 0.00 2.57 1.43 -0.86 -5.06 118.68 112.71 1dgf s LEU 451 Ca -0.07 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1dgf s LEU 451 Cb 0.10 -2.72 0.03 0.00 0.03 0.00 0.00 46.19 43.63 1dgf s LEU 451 CO 0.85 0.01 0.22 -0.46 0.23 0.00 0.00 176.35 177.20 1dgf n ASN 452 N -0.84 1.86 -0.05 2.29 0.23 -1.26 -4.69 115.26 112.80 1dgf n ASN 452 Ca -0.08 -1.97 -0.08 0.00 -0.53 0.00 0.00 54.58 51.92 1dgf n ASN 452 Cb 0.55 -0.03 -0.02 0.00 -2.08 0.00 0.00 39.78 38.20 1dgf n ASN 452 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1dgf h GLU 453 N 0.00 0.03 -0.42 -3.83 4.81 -1.95 0.23 114.58 113.45 1dgf h GLU 453 Ca -0.18 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.97 1dgf h GLU 453 Cb 0.66 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 1dgf h GLU 453 CO 0.28 0.02 -0.07 1.05 -0.73 0.00 0.00 179.01 179.56 1dgf h GLU 454 N 0.03 0.71 -0.43 1.92 4.11 -1.99 -1.36 114.58 117.58 1dgf h GLU 454 Ca 0.11 -0.21 -0.14 0.00 0.07 0.00 0.00 59.36 59.18 1dgf h GLU 454 Cb 0.15 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1dgf h GLU 454 CO -0.21 0.78 -0.29 1.96 0.07 0.00 0.00 179.01 181.32 1dgf h GLN 455 N 0.66 0.95 -0.44 1.06 4.20 -1.88 -2.03 115.11 117.62 1dgf h GLN 455 Ca 0.12 -0.45 -0.06 0.00 0.06 0.00 0.00 58.65 58.32 1dgf h GLN 455 Cb 0.51 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1dgf h GLN 455 CO 0.03 1.11 0.01 0.00 -0.67 0.00 0.00 178.83 179.31 1dgf h ARG 456 N 0.80 0.72 -0.23 1.46 3.08 -0.70 -0.68 114.38 118.84 1dgf h ARG 456 Ca 0.09 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1dgf h ARG 456 Cb 0.87 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1dgf h ARG 456 CO 0.08 0.72 0.09 -0.22 -1.07 0.00 0.00 179.97 179.57 1dgf h LYS 457 N 0.68 0.35 -0.63 0.04 3.64 -0.99 -1.99 116.57 117.67 1dgf h LYS 457 Ca 0.14 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1dgf h LYS 457 Cb 0.40 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1dgf h LYS 457 CO 0.01 0.40 0.12 0.00 -2.27 0.00 0.00 179.45 177.71 1dgf h ARG 458 N 0.22 1.03 -0.18 1.90 3.08 -1.08 -1.63 114.38 117.71 1dgf h ARG 458 Ca 0.08 -0.27 0.04 0.00 0.07 0.00 0.00 59.98 59.90 1dgf h ARG 458 Cb 0.18 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1dgf h ARG 458 CO -0.01 0.95 -0.06 1.25 -1.07 0.00 0.00 179.97 181.03 1dgf h LEU 459 N 0.94 -0.20 -1.03 3.04 5.85 -0.99 0.14 115.31 123.05 1dgf h LEU 459 Ca 0.19 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 1dgf h LEU 459 Cb 0.41 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1dgf h LEU 459 CO 0.01 -0.08 0.12 0.00 -0.34 0.00 0.00 178.44 178.15 1dgf h GLU 461 N 0.79 0.91 -0.42 0.00 5.08 -0.67 -0.89 114.58 119.37 1dgf h GLU 461 Ca 0.17 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 1dgf h GLU 461 Cb 0.30 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1dgf h GLU 461 CO -0.00 1.07 0.07 -0.91 -1.00 0.00 0.00 179.01 178.23 1dgf h ASN 462 N 0.74 0.68 0.11 1.42 2.35 -0.46 0.19 115.58 120.60 1dgf h ASN 462 Ca 0.09 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1dgf h ASN 462 Cb 0.81 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1dgf h ASN 462 CO 0.07 0.77 -0.05 0.40 -1.65 0.00 0.00 177.43 176.96 1dgf h ILE 463 N 0.56 1.01 -0.56 2.81 2.04 -1.20 -3.05 117.51 119.12 1dgf h ILE 463 Ca 0.13 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1dgf h ILE 463 Cb 0.38 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1dgf h ILE 463 CO 0.01 0.12 0.36 0.00 0.00 0.00 0.00 178.15 178.64 1dgf h ALA 464 N 0.49 1.58 0.00 1.87 0.00 -1.11 0.12 119.26 122.22 1dgf h ALA 464 Ca -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1dgf h ALA 464 Cb 0.30 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1dgf h ALA 464 CO 0.02 0.38 -0.08 0.78 0.00 0.00 0.00 179.25 180.36 1dgf h GLY 465 N 0.78 0.00 0.09 0.00 0.00 -0.85 -1.90 103.07 101.19 1dgf h GLY 465 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 47.14 1dgf h GLY 465 CO -0.04 0.00 -2.34 1.57 0.00 0.00 0.00 176.54 175.73 1dgf n HIS 466 N -4.33 0.26 0.28 5.60 -0.00 -0.75 -4.46 115.22 111.83 1dgf n HIS 466 Ca -0.03 0.07 0.14 0.00 -0.00 0.00 0.00 57.72 57.91 1dgf n HIS 466 Cb 0.16 -1.03 0.82 0.00 -0.00 0.00 0.00 29.99 29.94 1dgf n HIS 466 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1dgf h LEU 467 N -0.36 0.00 -2.77 0.27 5.85 -0.78 -2.92 115.31 114.61 1dgf h LEU 467 Ca -0.58 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1dgf h LEU 467 Cb 1.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.82 1dgf h LEU 467 CO -0.17 0.07 0.00 0.07 -0.34 0.00 0.00 178.44 178.07 1dgf h LYS 468 N 0.00 0.00 -0.00 1.25 5.09 -1.56 -1.05 116.57 120.30 1dgf h LYS 468 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1dgf h LYS 468 Cb 0.23 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.56 1dgf h LYS 468 CO 0.01 0.00 -0.22 -0.25 -2.09 0.00 0.00 179.45 176.90 1dgf n ASP 469 N -3.04 0.69 -4.89 7.07 10.43 -1.10 -4.86 116.55 120.86 1dgf n ASP 469 Ca -0.03 -0.62 -0.29 0.00 2.57 0.00 0.00 54.79 56.42 1dgf n ASP 469 Cb 0.09 0.04 -0.02 0.00 1.84 0.00 0.00 41.12 43.06 1dgf n ASP 469 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1dgf s ALA 470 N -2.58 3.39 0.80 2.24 0.00 -0.40 -4.70 121.76 120.51 1dgf s ALA 470 Ca 0.24 -0.32 -0.13 0.00 0.00 0.00 0.00 51.96 51.74 1dgf s ALA 470 Cb 0.19 -2.64 0.08 0.00 0.00 0.00 0.00 23.12 20.76 1dgf s ALA 470 CO 0.52 -0.09 1.21 1.04 0.00 0.00 0.00 175.76 178.44 1dgf n GLN 471 N -1.56 0.21 -0.24 0.00 6.02 -1.26 -4.70 117.38 115.85 1dgf n GLN 471 Ca 0.02 0.15 0.02 0.00 -0.01 0.00 0.00 57.00 57.18 1dgf n GLN 471 Cb 0.54 -2.45 0.15 0.00 1.02 0.00 0.00 30.24 29.50 1dgf n GLN 471 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1dgf h ILE 472 N -0.86 0.81 -0.05 5.09 1.08 -1.95 -0.95 117.51 120.67 1dgf h ILE 472 Ca -0.46 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 1dgf h ILE 472 Cb 1.30 0.20 -0.00 0.00 -3.07 0.00 0.00 36.82 35.24 1dgf h ILE 472 CO 0.46 0.10 -0.02 2.19 -0.69 0.00 0.00 178.15 180.20 1dgf h PHE 473 N 0.56 0.06 0.09 1.37 -5.15 -1.99 0.56 116.94 112.45 1dgf h PHE 473 Ca 0.36 -0.00 -0.27 0.00 -0.20 0.00 0.00 57.97 57.86 1dgf h PHE 473 Cb 0.42 -0.02 0.03 0.00 0.22 0.00 0.00 35.95 36.60 1dgf h PHE 473 CO -0.12 0.09 -1.10 0.82 -2.00 0.00 0.00 178.31 176.00 1dgf h ILE 474 N 0.07 1.32 -0.91 0.88 2.04 -1.57 -2.61 117.51 116.73 1dgf h ILE 474 Ca 0.02 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.49 1dgf h ILE 474 Cb 0.08 2.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.81 1dgf h ILE 474 CO 0.00 0.72 0.58 1.56 0.00 0.00 0.00 178.15 181.02 1dgf h GLN 475 N 0.18 1.20 0.02 2.37 4.20 -0.46 -0.98 115.11 121.64 1dgf h GLN 475 Ca -0.16 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.46 1dgf h GLN 475 Cb 1.79 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 29.30 1dgf h GLN 475 CO 0.21 0.81 -0.01 0.87 -0.67 0.00 0.00 178.83 180.04 1dgf h LYS 476 N 1.23 -0.02 -0.46 1.46 1.79 -0.92 0.28 116.57 119.93 1dgf h LYS 476 Ca 0.33 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.74 1dgf h LYS 476 Cb -0.12 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 1dgf h LYS 476 CO -0.07 0.10 0.04 -0.22 -1.08 0.00 0.00 179.45 178.22 1dgf h LYS 477 N -0.14 0.73 -0.22 3.15 3.64 -1.27 -0.61 116.57 121.85 1dgf h LYS 477 Ca -0.00 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 1dgf h LYS 477 Cb 0.13 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1dgf h LYS 477 CO 0.00 0.72 0.04 0.00 -2.27 0.00 0.00 179.45 177.94 1dgf h ALA 478 N 1.35 0.30 -0.44 5.00 0.00 -0.99 -2.44 119.26 122.03 1dgf h ALA 478 Ca 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1dgf h ALA 478 Cb 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1dgf h ALA 478 CO 0.01 -0.03 0.17 0.28 0.00 0.00 0.00 179.25 179.68 1dgf h VAL 479 N 0.17 1.17 -0.79 0.00 2.07 -0.66 -1.69 116.25 116.52 1dgf h VAL 479 Ca 0.07 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1dgf h VAL 479 Cb 0.32 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1dgf h VAL 479 CO 0.00 0.21 0.45 0.50 0.02 0.00 0.00 177.57 178.75 1dgf h LYS 480 N 0.62 1.09 -0.37 1.57 3.64 -0.85 0.69 116.57 122.97 1dgf h LYS 480 Ca 0.15 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1dgf h LYS 480 Cb 0.14 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1dgf h LYS 480 CO -0.01 0.79 -0.04 -0.91 -2.27 0.00 0.00 179.45 177.01 1dgf h ASN 481 N 1.09 0.67 -0.31 4.20 2.35 -0.90 -2.39 115.58 120.29 1dgf h ASN 481 Ca 0.28 -0.34 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 1dgf h ASN 481 Cb 0.00 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1dgf h ASN 481 CO -0.05 0.85 0.00 -0.26 -1.65 0.00 0.00 177.43 176.32 1dgf h PHE 482 N 0.48 0.69 -0.44 1.19 0.04 -0.96 -2.40 116.94 115.54 1dgf h PHE 482 Ca 0.10 -0.08 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1dgf h PHE 482 Cb 0.53 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 1dgf h PHE 482 CO 0.04 0.65 0.01 1.15 -0.60 0.00 0.00 178.31 179.57 1dgf h THR 483 N 0.62 1.23 -0.01 -1.55 2.02 -0.72 -1.82 112.91 112.68 1dgf h THR 483 Ca 0.13 -0.92 -0.05 0.00 0.77 0.00 0.00 66.41 66.34 1dgf h THR 483 Cb 0.38 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1dgf h THR 483 CO 0.01 0.32 -0.21 -0.33 0.37 0.00 0.00 175.52 175.69 1dgf h GLU 484 N 0.67 0.02 0.05 6.66 5.08 -0.92 -2.48 114.58 123.66 1dgf h GLU 484 Ca 0.14 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1dgf h GLU 484 Cb 0.40 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1dgf h GLU 484 CO 0.01 0.23 -0.03 0.28 -1.00 0.00 0.00 179.01 178.51 1dgf h VAL 485 N 0.02 1.28 -1.78 3.13 2.07 -1.17 -3.47 116.25 116.34 1dgf h VAL 485 Ca 0.00 -1.27 0.06 0.00 0.82 0.00 0.00 66.70 66.31 1dgf h VAL 485 Cb 0.39 2.10 -0.24 0.00 -1.52 0.00 0.00 31.29 32.02 1dgf h VAL 485 CO 0.03 0.31 0.21 -2.28 0.02 0.00 0.00 177.57 175.85 1dgf s HIS 486 N -3.81 -0.81 0.54 1.57 2.46 -0.75 -4.63 115.29 109.86 1dgf s HIS 486 Ca -0.15 1.65 0.25 0.00 0.47 0.00 0.00 55.06 57.28 1dgf s HIS 486 Cb 0.01 0.48 1.41 0.00 -0.13 0.00 0.00 32.58 34.35 1dgf s HIS 486 CO 0.62 -0.40 2.00 -1.00 -2.47 0.00 0.00 174.74 173.49 1dgf h PRO 487 N 6.37 0.00 -0.24 2.88 0.13 -1.77 -0.66 132.00 138.72 1dgf h PRO 487 Ca -0.29 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.68 1dgf h PRO 487 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1dgf h PRO 487 CO 0.17 0.00 -0.51 0.22 -0.23 0.00 0.00 178.00 177.65 1dgf h ASP 488 N 0.00 0.73 0.29 1.44 1.82 -1.91 -1.17 116.42 117.63 1dgf h ASP 488 Ca 0.24 -0.38 -0.01 0.00 -0.39 0.00 0.00 57.03 56.48 1dgf h ASP 488 Cb 0.97 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.78 1dgf h ASP 488 CO -0.00 1.11 -0.14 0.22 -1.61 0.00 0.00 179.24 178.82 1dgf h TYR 489 N 0.52 -0.36 -0.34 0.28 -0.00 -1.39 -1.42 116.97 114.26 1dgf h TYR 489 Ca 0.02 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.73 58.68 1dgf h TYR 489 Cb 1.07 0.12 -0.01 0.00 -0.00 0.00 0.00 36.73 37.91 1dgf h TYR 489 CO 0.05 -0.15 -0.04 0.78 -0.00 0.00 0.00 178.16 178.80 1dgf h GLY 490 N -0.49 0.68 1.30 1.82 0.00 -1.49 -2.81 103.07 102.09 1dgf h GLY 490 Ca -0.04 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 1dgf h GLY 490 CO 0.06 0.49 0.00 1.48 0.00 0.00 0.00 176.54 178.57 1dgf h SER 491 N 0.43 0.82 -0.35 0.19 4.64 -1.22 -0.74 113.55 117.32 1dgf h SER 491 Ca 0.09 -0.21 -0.06 0.00 -0.47 0.00 0.00 61.79 61.15 1dgf h SER 491 Cb 0.52 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1dgf h SER 491 CO 0.03 0.89 0.00 -0.74 -0.87 0.00 0.00 176.83 176.13 1dgf h HIS 492 N 0.79 0.67 -0.50 4.77 6.17 -1.28 -0.98 115.15 124.80 1dgf h HIS 492 Ca 0.15 -0.11 -0.02 0.00 0.71 0.00 0.00 60.37 61.10 1dgf h HIS 492 Cb 0.47 -0.17 -0.02 0.00 2.52 0.00 0.00 27.41 30.21 1dgf h HIS 492 CO 0.03 0.72 0.23 0.82 0.71 0.00 0.00 177.93 180.44 1dgf h ILE 493 N 0.42 1.20 -0.72 6.26 2.04 -1.32 -2.40 117.51 122.99 1dgf h ILE 493 Ca 0.10 -0.56 0.02 0.00 1.00 0.00 0.00 64.86 65.41 1dgf h ILE 493 Cb 0.45 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1dgf h ILE 493 CO 0.02 0.22 0.47 -0.61 0.00 0.00 0.00 178.15 178.24 1dgf h GLN 494 N 0.66 0.91 -0.75 2.37 5.75 -0.95 0.37 115.11 123.46 1dgf h GLN 494 Ca 0.17 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1dgf h GLN 494 Cb 0.13 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.44 1dgf h GLN 494 CO -0.02 0.60 0.50 0.00 -2.65 0.00 0.00 178.83 177.26 1dgf h ALA 495 N 1.28 0.96 -0.51 3.38 0.00 -0.93 0.14 119.26 123.58 1dgf h ALA 495 Ca 0.28 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1dgf h ALA 495 Cb -0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1dgf h ALA 495 CO -0.08 0.36 -0.14 -0.07 0.00 0.00 0.00 179.25 179.32 1dgf h LEU 496 N 1.01 1.01 -0.81 0.00 3.38 -0.90 -2.75 115.31 116.26 1dgf h LEU 496 Ca 0.28 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1dgf h LEU 496 Cb -0.10 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.34 1dgf h LEU 496 CO -0.07 1.14 0.11 -0.07 0.09 0.00 0.00 178.44 179.65 1dgf h LEU 497 N 0.87 0.95 -0.92 1.67 3.38 -0.44 -2.12 115.31 118.70 1dgf h LEU 497 Ca 0.13 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1dgf h LEU 497 Cb 0.71 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 1dgf h LEU 497 CO 0.05 0.95 0.58 0.44 0.09 0.00 0.00 178.44 180.55 1dgf h ASP 498 N 0.95 0.91 0.19 -0.43 3.32 -0.51 0.15 116.42 121.00 1dgf h ASP 498 Ca 0.19 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1dgf h ASP 498 Cb 0.40 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1dgf h ASP 498 CO 0.01 0.57 -0.09 0.11 -1.72 0.00 0.00 179.24 178.11 1dgf h LYS 499 N 1.04 -0.25 -0.38 3.56 1.57 -1.17 -3.21 116.57 117.73 1dgf h LYS 499 Ca 0.41 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.25 1dgf h LYS 499 Cb 0.21 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1dgf h LYS 499 CO -0.19 0.01 0.13 1.88 -0.57 0.00 0.00 179.45 180.71 1dgf h TYR 500 N -0.49 0.22 0.00 -1.35 0.05 -0.91 -3.52 116.97 110.97 1dgf h TYR 500 Ca -0.03 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1dgf h TYR 500 Cb 0.37 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.07 1dgf h TYR 500 CO 0.00 0.09 0.00 0.09 -1.05 0.00 0.00 178.16 177.29