#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtf n PHE 3 N 0.00 1.20 -3.61 6.00 7.35 -1.26 -4.68 117.46 122.45 1xtf n PHE 3 Ca 0.00 0.75 -0.40 0.00 -0.76 0.00 0.00 57.45 57.04 1xtf n PHE 3 Cb 0.00 -2.25 -0.11 0.00 0.35 0.00 0.00 39.48 37.47 1xtf n PHE 3 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1xtf s VAL 4 N 0.15 4.42 0.22 -2.13 1.01 -1.26 -4.82 120.40 117.99 1xtf s VAL 4 Ca 0.82 -1.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 1xtf s VAL 4 Cb -0.99 -3.53 0.09 0.00 0.00 0.00 0.00 36.38 31.95 1xtf s VAL 4 CO 0.51 -0.30 1.70 0.78 0.00 0.00 0.00 175.10 177.79 1xtf h ASN 5 N 8.42 0.90 -3.45 3.32 2.35 -1.91 -3.44 115.58 121.76 1xtf h ASN 5 Ca -0.25 -0.24 -0.66 0.00 -0.55 0.00 0.00 56.30 54.61 1xtf h ASN 5 Cb 1.10 -0.24 -0.14 0.00 0.05 0.00 0.00 38.32 39.09 1xtf h ASN 5 CO 0.69 0.96 -0.69 -1.59 -1.65 0.00 0.00 177.43 175.14 1xtf s LYS 6 N -5.00 2.42 -0.40 0.81 -2.85 -1.26 -5.08 119.74 108.38 1xtf s LYS 6 Ca -0.10 -0.88 -0.25 0.00 -1.00 0.00 0.00 55.97 53.74 1xtf s LYS 6 Cb 0.14 -2.46 0.02 0.00 -2.06 0.00 0.00 37.83 33.47 1xtf s LYS 6 CO 0.83 0.54 0.89 -0.65 0.10 0.00 0.00 175.35 177.07 1xtf s GLN 7 N -2.15 3.73 0.03 1.78 -1.52 -1.26 -5.03 119.66 115.24 1xtf s GLN 7 Ca 0.23 0.39 -0.14 0.00 -1.95 0.00 0.00 55.36 53.89 1xtf s GLN 7 Cb -0.11 -3.84 -0.06 0.00 -0.22 0.00 0.00 33.01 28.78 1xtf s GLN 7 CO 0.15 -1.01 0.42 -0.06 -0.25 0.00 0.00 175.29 174.54 1xtf s PHE 8 N 3.48 3.69 -0.04 0.91 0.08 -1.26 -5.09 117.98 119.75 1xtf s PHE 8 Ca 0.36 0.97 0.06 0.00 0.12 0.00 0.00 56.93 58.44 1xtf s PHE 8 Cb -0.12 -2.27 -0.01 0.00 -0.57 0.00 0.00 43.02 40.05 1xtf s PHE 8 CO 0.21 0.60 -0.22 -0.80 -0.10 0.00 0.00 175.22 174.91 1xtf s ASN 9 N -1.26 2.66 0.59 1.36 0.01 -1.26 -4.84 114.94 112.20 1xtf s ASN 9 Ca 0.27 -0.43 0.29 0.00 -0.71 0.00 0.00 52.86 52.28 1xtf s ASN 9 Cb -0.16 -0.54 1.64 0.00 0.41 0.00 0.00 41.25 42.60 1xtf s ASN 9 CO 0.15 0.24 2.07 0.22 -1.51 0.00 0.00 177.10 178.26 1xtf h TYR 10 N 5.90 0.00 0.01 2.20 3.20 -1.90 -1.92 116.97 124.45 1xtf h TYR 10 Ca -0.36 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.31 1xtf h TYR 10 Cb 1.16 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 1xtf h TYR 10 CO 0.41 0.00 -0.91 0.87 -1.64 0.00 0.00 178.16 176.89 1xtf h LYS 11 N 0.00 0.19 -5.02 1.82 1.79 -1.95 -3.47 116.57 109.94 1xtf h LYS 11 Ca 0.10 -0.22 -0.55 0.00 -2.18 0.00 0.00 60.65 57.79 1xtf h LYS 11 Cb 0.60 0.07 0.10 0.00 -1.58 0.00 0.00 32.23 31.41 1xtf h LYS 11 CO -0.00 0.98 -0.49 -0.25 -1.08 0.00 0.00 179.45 178.61 1xtf n ASP 12 N -3.63 -1.23 -4.79 0.86 8.00 -0.72 -4.89 116.55 110.15 1xtf n ASP 12 Ca -0.04 0.91 -0.34 0.00 0.71 0.00 0.00 54.79 56.03 1xtf n ASP 12 Cb 0.83 -0.79 -0.01 0.00 -0.02 0.00 0.00 41.12 41.14 1xtf n ASP 12 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1xtf s PRO 13 N -0.84 3.46 0.35 -0.24 0.04 -1.26 -5.00 135.00 131.51 1xtf s PRO 13 Ca 0.53 1.38 -0.28 0.00 0.04 0.00 0.00 61.00 62.66 1xtf s PRO 13 Cb -0.75 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 31.65 1xtf s PRO 13 CO 0.48 -0.72 1.40 0.08 0.04 0.00 0.00 177.00 178.27 1xtf s VAL 14 N -2.10 2.39 -0.01 -0.36 1.01 -1.26 -4.89 120.40 115.18 1xtf s VAL 14 Ca 0.67 0.39 0.01 0.00 0.00 0.00 0.00 61.98 63.05 1xtf s VAL 14 Cb -0.18 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.96 1xtf s VAL 14 CO 0.28 0.09 0.72 -0.46 0.00 0.00 0.00 175.10 175.74 1xtf n ASN 15 N 0.62 0.70 0.00 3.32 0.23 -0.00 -5.00 115.26 115.13 1xtf n ASN 15 Ca 0.00 -1.48 0.00 0.00 -0.53 0.00 0.00 54.58 52.57 1xtf n ASN 15 Cb 0.41 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 1xtf n ASN 15 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xtf n GLY 16 N -0.21 0.08 0.00 4.83 0.00 -1.04 -4.69 105.19 104.15 1xtf n GLY 16 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1xtf n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xtf n VAL 17 N -2.00 0.00 -0.06 1.61 0.31 -1.26 -4.85 118.33 112.08 1xtf n VAL 17 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 1xtf n VAL 17 Cb 0.00 -0.86 0.19 0.00 -0.91 0.00 0.00 33.84 32.26 1xtf n VAL 17 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1xtf n ASP 18 N -1.24 3.13 -3.51 4.52 5.68 -1.26 -4.84 116.55 119.03 1xtf n ASP 18 Ca 0.00 -1.93 -0.16 0.00 -0.50 0.00 0.00 54.79 52.19 1xtf n ASP 18 Cb 0.00 -0.27 -0.13 0.00 -1.14 0.00 0.00 41.12 39.59 1xtf n ASP 18 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1xtf s ILE 19 N -1.07 -0.37 0.31 2.12 1.01 -1.26 -0.03 121.20 121.91 1xtf s ILE 19 Ca 0.30 -0.03 -0.19 0.00 0.00 0.00 0.00 60.65 60.73 1xtf s ILE 19 Cb 0.17 -0.64 0.04 0.00 0.01 0.00 0.00 42.46 42.04 1xtf s ILE 19 CO 0.22 -0.13 0.78 0.00 0.00 0.00 0.00 174.94 175.82 1xtf s ALA 20 N 2.36 -1.09 -0.13 9.38 0.00 -0.54 -0.82 121.76 130.93 1xtf s ALA 20 Ca 0.06 -0.45 -0.10 0.00 0.00 0.00 0.00 51.96 51.48 1xtf s ALA 20 Cb -0.15 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.69 1xtf s ALA 20 CO -0.12 -1.02 0.20 0.71 0.00 0.00 0.00 175.76 175.54 1xtf s TYR 21 N -3.16 3.55 0.16 0.00 1.51 -1.26 0.89 117.35 119.03 1xtf s TYR 21 Ca 0.13 0.57 -0.01 0.00 -1.01 0.00 0.00 57.07 56.75 1xtf s TYR 21 Cb -0.05 -2.11 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1xtf s TYR 21 CO 0.08 0.54 0.09 0.96 -1.11 0.00 0.00 175.55 176.11 1xtf s ILE 22 N -0.47 0.06 -0.03 2.71 -4.36 -0.37 -0.71 121.20 118.03 1xtf s ILE 22 Ca 0.15 -1.94 0.03 0.00 -0.26 0.00 0.00 60.65 58.64 1xtf s ILE 22 Cb -0.13 -2.21 -0.00 0.00 1.25 0.00 0.00 42.46 41.37 1xtf s ILE 22 CO 0.04 -0.29 -0.13 -0.54 0.24 0.00 0.00 174.94 174.26 1xtf s LYS 23 N -4.09 1.36 -0.07 0.37 1.02 -0.72 -1.64 119.74 115.97 1xtf s LYS 23 Ca 0.30 -0.46 -0.27 0.00 0.02 0.00 0.00 55.97 55.56 1xtf s LYS 23 Cb 0.07 -1.22 -0.02 0.00 -0.52 0.00 0.00 37.83 36.13 1xtf s LYS 23 CO 0.06 0.18 0.88 0.42 -0.92 0.00 0.00 175.35 175.97 1xtf s ILE 24 N 0.11 4.90 -0.76 2.17 1.01 -1.26 -1.92 121.20 125.44 1xtf s ILE 24 Ca -0.03 1.81 -0.26 0.00 0.00 0.00 0.00 60.65 62.17 1xtf s ILE 24 Cb -0.10 -4.21 -0.09 0.00 0.01 0.00 0.00 42.46 38.07 1xtf s ILE 24 CO 0.01 0.12 2.22 -2.16 0.00 0.00 0.00 174.94 175.14 1xtf s PRO 25 N 1.39 2.05 0.26 2.79 0.04 -1.26 -4.60 135.00 135.67 1xtf s PRO 25 Ca 0.45 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1xtf s PRO 25 Cb -0.19 -4.80 0.00 0.00 0.04 0.00 0.00 34.50 29.55 1xtf s PRO 25 CO 0.20 -3.81 0.00 0.27 0.04 0.00 0.00 177.00 173.71 1xtf n ASN 26 N 16.34 -0.58 0.00 6.66 6.94 -1.26 -4.78 115.26 138.59 1xtf n ASN 26 Ca 0.41 0.45 0.00 0.00 -0.02 0.00 0.00 54.58 55.42 1xtf n ASN 26 Cb 0.47 0.72 0.00 0.00 -2.36 0.00 0.00 39.78 38.61 1xtf n ASN 26 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xtf n ALA 27 N -3.30 0.37 -1.17 -2.53 0.00 -1.26 -5.13 120.51 107.49 1xtf n ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xtf n ALA 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xtf n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xtf n GLY 28 N -0.73 -0.69 2.67 0.00 0.00 -1.26 -4.98 105.19 100.21 1xtf n GLY 28 Ca 0.00 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 1xtf n GLY 28 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xtf n GLN 29 N -0.63 5.18 -1.11 1.61 6.02 -1.26 -5.03 117.38 122.16 1xtf n GLN 29 Ca 0.00 -4.57 -0.34 0.00 -0.01 0.00 0.00 57.00 52.07 1xtf n GLN 29 Cb 0.00 -2.45 0.10 0.00 1.02 0.00 0.00 30.24 28.92 1xtf n GLN 29 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xtf n MET 30 N -0.11 0.14 -3.25 -1.09 0.00 -1.26 -4.97 117.12 106.59 1xtf n MET 30 Ca 0.47 0.11 -0.38 0.00 0.00 0.00 0.00 57.70 57.90 1xtf n MET 30 Cb 0.26 -2.10 -0.06 0.00 0.00 0.00 0.00 33.22 31.32 1xtf n MET 30 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 1xtf s GLN 31 N -3.50 4.22 1.03 3.17 -2.07 -1.26 -5.03 119.66 116.22 1xtf s GLN 31 Ca 0.67 0.76 -0.15 0.00 -1.82 0.00 0.00 55.36 54.82 1xtf s GLN 31 Cb -0.30 -3.22 0.09 0.00 -1.09 0.00 0.00 33.01 28.49 1xtf s GLN 31 CO 0.57 0.62 0.31 -0.35 -1.32 0.00 0.00 175.29 175.12 1xtf n PRO 32 N 1.64 -0.98 -3.88 9.60 -0.04 -1.26 -4.95 135.00 135.12 1xtf n PRO 32 Ca -0.10 -0.25 -0.11 0.00 -0.04 0.00 0.00 63.50 63.00 1xtf n PRO 32 Cb 0.51 -1.84 -0.10 0.00 -0.04 0.00 0.00 33.50 32.03 1xtf n PRO 32 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xtf s VAL 33 N -2.34 0.09 0.10 0.52 -7.23 -0.65 -4.88 120.40 106.01 1xtf s VAL 33 Ca 0.58 -0.73 -0.31 0.00 -1.81 0.00 0.00 61.98 59.72 1xtf s VAL 33 Cb -0.18 -0.43 -0.07 0.00 0.56 0.00 0.00 36.38 36.27 1xtf s VAL 33 CO 0.66 -0.40 1.23 -0.75 -0.31 0.00 0.00 175.10 175.53 1xtf s LYS 34 N -1.43 4.43 0.06 4.82 2.20 -1.26 -1.24 119.74 127.33 1xtf s LYS 34 Ca -0.15 1.85 0.02 0.00 -0.36 0.00 0.00 55.97 57.33 1xtf s LYS 34 Cb -0.08 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 1xtf s LYS 34 CO 0.01 -0.24 -0.08 0.00 -0.36 0.00 0.00 175.35 174.69 1xtf s ALA 35 N 0.75 0.75 -0.11 3.13 0.00 0.26 -4.33 121.76 122.21 1xtf s ALA 35 Ca 0.58 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.60 1xtf s ALA 35 Cb -0.31 0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1xtf s ALA 35 CO 0.31 -0.07 -0.17 -0.06 0.00 0.00 0.00 175.76 175.77 1xtf s PHE 36 N -2.06 2.09 -0.61 0.00 0.40 -0.48 -1.47 117.98 115.85 1xtf s PHE 36 Ca -0.03 -0.96 -0.22 0.00 -0.60 0.00 0.00 56.93 55.13 1xtf s PHE 36 Cb -0.05 -1.48 0.07 0.00 0.51 0.00 0.00 43.02 42.07 1xtf s PHE 36 CO -0.01 -0.46 0.87 0.21 0.70 0.00 0.00 175.22 176.52 1xtf s LYS 37 N 0.83 3.13 0.00 0.44 2.20 0.96 -1.08 119.74 126.22 1xtf s LYS 37 Ca -0.09 -0.84 0.27 0.00 -0.36 0.00 0.00 55.97 54.95 1xtf s LYS 37 Cb -0.16 -4.19 0.94 0.00 -1.51 0.00 0.00 37.83 32.91 1xtf s LYS 37 CO 0.00 -1.64 1.69 0.44 -0.36 0.00 0.00 175.35 175.48 1xtf n ILE 38 N 5.86 0.00 -3.59 5.43 -5.35 -0.92 -4.85 119.36 115.93 1xtf n ILE 38 Ca -0.04 -0.06 -0.06 0.00 -0.27 0.00 0.00 62.75 62.31 1xtf n ILE 38 Cb 0.45 0.08 -0.04 0.00 -1.74 0.00 0.00 39.64 38.40 1xtf n ILE 38 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1xtf s HIS 39 N -2.65 -0.21 -0.07 4.28 5.04 -1.23 -4.43 115.29 116.02 1xtf s HIS 39 Ca 0.22 0.28 -0.40 0.00 -1.54 0.00 0.00 55.06 53.62 1xtf s HIS 39 Cb 0.19 0.49 -0.18 0.00 0.04 0.00 0.00 32.58 33.12 1xtf s HIS 39 CO 0.54 -0.24 1.30 -1.71 -2.34 0.00 0.00 174.74 172.30 1xtf n ASN 40 N 0.35 0.95 0.00 9.88 4.05 -1.26 -0.78 115.26 128.44 1xtf n ASN 40 Ca -0.04 1.14 0.00 0.00 0.45 0.00 0.00 54.58 56.13 1xtf n ASN 40 Cb 0.59 -1.03 0.00 0.00 1.23 0.00 0.00 39.78 40.57 1xtf n ASN 40 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1xtf n LYS 41 N 2.58 0.00 -4.19 1.20 4.76 -1.26 -4.92 118.16 116.33 1xtf n LYS 41 Ca 0.22 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.34 1xtf n LYS 41 Cb 0.10 -3.61 -0.16 0.00 -1.84 0.00 0.00 35.03 29.52 1xtf n LYS 41 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1xtf s ILE 42 N -2.26 1.89 0.18 -0.18 1.01 0.04 -0.88 121.20 121.00 1xtf s ILE 42 Ca 0.00 -0.84 0.11 0.00 0.00 0.00 0.00 60.65 59.92 1xtf s ILE 42 Cb 0.00 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 1xtf s ILE 42 CO 0.00 0.51 -0.23 0.26 0.00 0.00 0.00 174.94 175.49 1xtf s TRP 43 N 1.26 2.35 -0.13 3.97 0.52 0.13 -2.17 118.94 124.87 1xtf s TRP 43 Ca 0.03 -0.34 0.01 0.00 0.02 0.00 0.00 56.10 55.82 1xtf s TRP 43 Cb -0.13 -1.18 0.02 0.00 -1.15 0.00 0.00 33.47 31.02 1xtf s TRP 43 CO -0.10 0.47 -0.16 0.08 0.02 0.00 0.00 176.95 177.26 1xtf s VAL 44 N -1.56 1.66 -0.40 4.03 1.01 -0.24 0.30 120.40 125.20 1xtf s VAL 44 Ca 0.20 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1xtf s VAL 44 Cb -0.08 -1.52 0.11 0.00 0.00 0.00 0.00 36.38 34.89 1xtf s VAL 44 CO 0.10 0.47 0.18 -0.63 0.00 0.00 0.00 175.10 175.22 1xtf s ILE 45 N 1.14 3.03 -1.39 2.22 1.01 0.59 -1.39 121.20 126.41 1xtf s ILE 45 Ca -0.02 -2.21 -0.15 0.00 0.00 0.00 0.00 60.65 58.26 1xtf s ILE 45 Cb -0.14 -3.11 0.04 0.00 0.01 0.00 0.00 42.46 39.26 1xtf s ILE 45 CO -0.05 -0.68 2.12 -0.81 0.00 0.00 0.00 174.94 175.51 1xtf n PRO 46 N 4.41 2.84 -4.00 2.79 -0.04 -1.26 -3.35 135.00 136.38 1xtf n PRO 46 Ca 0.00 -2.70 -0.09 0.00 -0.04 0.00 0.00 63.50 60.68 1xtf n PRO 46 Cb 0.41 -3.32 -0.08 0.00 -0.04 0.00 0.00 33.50 30.47 1xtf n PRO 46 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xtf s GLU 47 N 3.52 0.89 0.31 0.54 0.41 -1.26 -4.77 118.70 118.34 1xtf s GLU 47 Ca 0.49 -1.19 -0.27 0.00 -0.41 0.00 0.00 54.97 53.60 1xtf s GLU 47 Cb 0.12 0.30 -0.10 0.00 -1.78 0.00 0.00 34.13 32.67 1xtf s GLU 47 CO -0.04 -0.27 0.96 1.03 -0.49 0.00 0.00 175.26 176.45 1xtf s ARG 48 N -3.95 4.60 -0.74 1.61 1.81 -1.26 -0.50 118.95 120.52 1xtf s ARG 48 Ca 0.13 1.40 -0.23 0.00 -1.72 0.00 0.00 55.73 55.32 1xtf s ARG 48 Cb 0.06 -2.88 0.07 0.00 -0.45 0.00 0.00 34.95 31.75 1xtf s ARG 48 CO -0.05 0.28 1.06 0.34 -0.68 0.00 0.00 175.30 176.25 1xtf s ASP 49 N -1.50 6.27 -0.15 0.23 2.15 -0.82 -4.70 116.67 118.16 1xtf s ASP 49 Ca 0.49 -1.12 0.17 0.00 0.43 0.00 0.00 52.55 52.51 1xtf s ASP 49 Cb -0.21 -2.44 0.32 0.00 -0.30 0.00 0.00 42.92 40.28 1xtf s ASP 49 CO 0.26 -1.44 1.16 0.35 -0.17 0.00 0.00 175.17 175.34 1xtf n THR 50 N 5.97 1.91 -0.02 1.71 -2.24 -1.26 -4.36 114.28 115.98 1xtf n THR 50 Ca 0.04 -2.45 -0.04 0.00 -2.27 0.00 0.00 64.05 59.33 1xtf n THR 50 Cb 0.47 -0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 1xtf n THR 50 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1xtf n PHE 51 N -1.31 0.00 0.30 4.78 3.72 -1.26 -4.42 117.46 119.27 1xtf n PHE 51 Ca 0.16 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.74 1xtf n PHE 51 Cb 0.66 -0.19 0.96 0.00 -0.94 0.00 0.00 39.48 39.97 1xtf n PHE 51 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1xtf h THR 52 N -0.03 0.26 -3.33 4.37 2.02 -1.92 -3.41 112.91 110.86 1xtf h THR 52 Ca -0.11 -0.21 -0.39 0.00 0.77 0.00 0.00 66.41 66.46 1xtf h THR 52 Cb 1.16 1.16 -0.38 0.00 -1.74 0.00 0.00 68.15 68.35 1xtf h THR 52 CO -0.03 0.03 -0.75 0.21 0.37 0.00 0.00 175.52 175.35 1xtf s ASN 53 N -5.70 1.18 0.59 4.18 3.84 -1.26 -5.02 114.94 112.74 1xtf s ASN 53 Ca -0.04 -0.01 0.36 0.00 0.21 0.00 0.00 52.86 53.38 1xtf s ASN 53 Cb 0.13 -0.29 1.82 0.00 -0.55 0.00 0.00 41.25 42.36 1xtf s ASN 53 CO 0.50 -0.19 2.17 1.55 -2.79 0.00 0.00 177.10 178.34 1xtf h PRO 54 N 8.14 0.00 -0.09 0.43 0.13 -1.90 -1.15 132.00 137.55 1xtf h PRO 54 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1xtf h PRO 54 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xtf h PRO 54 CO 0.27 0.04 0.00 0.39 -0.23 0.00 0.00 178.00 178.46 1xtf n GLU 55 N -3.30 1.29 -2.87 0.86 1.02 -1.26 -3.81 120.64 112.57 1xtf n GLU 55 Ca -0.02 -0.45 -0.12 0.00 -0.02 0.00 0.00 57.16 56.55 1xtf n GLU 55 Cb 0.19 -1.25 0.02 0.00 -0.02 0.00 0.00 31.44 30.37 1xtf n GLU 55 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xtf n GLU 56 N -0.26 1.07 0.01 3.49 1.02 -0.43 -4.93 120.64 120.60 1xtf n GLU 56 Ca 0.11 -3.13 0.13 0.00 -0.02 0.00 0.00 57.16 54.25 1xtf n GLU 56 Cb 0.15 -1.33 0.57 0.00 -0.02 0.00 0.00 31.44 30.81 1xtf n GLU 56 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xtf n GLY 57 N 0.06 -1.45 3.36 0.62 0.00 -1.25 -4.29 105.19 102.25 1xtf n GLY 57 Ca 0.14 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1xtf n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1xtf s ASP 58 N -3.08 1.89 -0.24 1.61 1.47 -1.26 -4.86 116.67 112.20 1xtf s ASP 58 Ca 0.13 -1.66 0.13 0.00 1.18 0.00 0.00 52.55 52.34 1xtf s ASP 58 Cb 0.17 0.48 0.58 0.00 -0.34 0.00 0.00 42.92 43.82 1xtf s ASP 58 CO 0.50 -0.96 1.52 0.18 0.68 0.00 0.00 175.17 177.09 1xtf n LEU 59 N -0.68 4.46 -4.65 2.11 4.77 -1.26 -4.54 117.00 117.20 1xtf n LEU 59 Ca 0.01 -3.24 -0.43 0.00 -0.03 0.00 0.00 56.01 52.33 1xtf n LEU 59 Cb 0.64 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1xtf n LEU 59 CO 0.34 0.84 1.30 0.20 -1.33 0.00 0.00 177.39 178.74 1xtf s ASN 60 N -1.87 6.67 0.35 -1.43 0.01 -1.26 -4.50 114.94 112.92 1xtf s ASN 60 Ca 0.46 1.98 -0.26 0.00 -0.71 0.00 0.00 52.86 54.33 1xtf s ASN 60 Cb 0.38 -2.53 -0.09 0.00 0.41 0.00 0.00 41.25 39.41 1xtf s ASN 60 CO 0.08 -0.96 1.05 -2.16 -1.51 0.00 0.00 177.10 173.60 1xtf s PRO 61 N 4.05 4.35 0.90 -0.60 0.04 -1.26 -4.99 135.00 137.49 1xtf s PRO 61 Ca 0.69 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 63.19 1xtf s PRO 61 Cb -0.29 -2.77 0.13 0.00 0.04 0.00 0.00 34.50 31.62 1xtf s PRO 61 CO 0.26 0.01 1.09 -1.25 0.04 0.00 0.00 177.00 177.16 1xtf s PRO 62 N -2.12 1.19 0.74 0.56 0.04 -1.26 -4.95 135.00 129.20 1xtf s PRO 62 Ca 0.53 0.98 -0.15 0.00 0.04 0.00 0.00 61.00 62.40 1xtf s PRO 62 Cb -0.25 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1xtf s PRO 62 CO 0.31 -2.33 1.01 -2.30 0.04 0.00 0.00 177.00 173.72 1xtf n PRO 63 N -3.97 0.46 -0.27 0.56 -0.02 -1.26 -4.75 135.00 125.75 1xtf n PRO 63 Ca 0.08 0.22 0.02 0.00 -2.02 0.00 0.00 63.50 61.80 1xtf n PRO 63 Cb 0.54 -2.26 0.16 0.00 -0.02 0.00 0.00 33.50 31.92 1xtf n PRO 63 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xtf h GLU 64 N -0.36 0.66 0.00 -0.52 5.08 -1.97 -0.14 114.58 117.33 1xtf h GLU 64 Ca -0.47 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1xtf h GLU 64 Cb 1.33 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1xtf h GLU 64 CO 0.47 0.44 -0.07 0.00 -1.00 0.00 0.00 179.01 178.85 1xtf h ALA 65 N 1.45 1.26 -0.01 3.43 0.00 -2.04 -2.47 119.26 120.88 1xtf h ALA 65 Ca 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1xtf h ALA 65 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xtf h ALA 65 CO -0.27 0.08 -0.24 1.63 0.00 0.00 0.00 179.25 180.46 1xtf n LYS 66 N -3.54 1.34 -2.72 0.00 4.01 -0.09 -4.95 118.16 112.22 1xtf n LYS 66 Ca -0.02 -0.96 -0.42 0.00 -0.51 0.00 0.00 58.31 56.40 1xtf n LYS 66 Cb 0.19 -1.48 -0.04 0.00 -0.51 0.00 0.00 35.03 33.19 1xtf n LYS 66 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1xtf s GLN 67 N -2.32 4.63 0.39 1.97 -0.21 -0.93 -4.93 119.66 118.25 1xtf s GLN 67 Ca 0.26 1.44 -0.27 0.00 0.02 0.00 0.00 55.36 56.81 1xtf s GLN 67 Cb 0.19 -3.42 -0.11 0.00 1.00 0.00 0.00 33.01 30.68 1xtf s GLN 67 CO 0.47 0.07 1.41 0.28 -2.12 0.00 0.00 175.29 175.41 1xtf n VAL 68 N 3.36 2.24 -0.26 1.09 0.31 -1.26 -4.88 118.33 118.92 1xtf n VAL 68 Ca 0.04 -0.50 0.05 0.00 -0.01 0.00 0.00 64.34 63.92 1xtf n VAL 68 Cb 0.50 -1.82 0.18 0.00 -0.91 0.00 0.00 33.84 31.79 1xtf n VAL 68 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1xtf h PRO 69 N 2.63 0.48 -4.15 5.55 0.11 -1.95 -3.18 132.00 131.49 1xtf h PRO 69 Ca -0.50 -0.03 -0.77 0.00 0.11 0.00 0.00 66.00 64.82 1xtf h PRO 69 Cb 1.26 -0.11 -0.23 0.00 0.11 0.00 0.00 31.00 32.03 1xtf h PRO 69 CO 0.63 0.32 0.73 0.08 -0.21 0.00 0.00 178.00 179.55 1xtf s VAL 70 N -6.02 5.49 0.17 3.15 1.01 -1.26 -4.73 120.40 118.22 1xtf s VAL 70 Ca -0.12 -2.82 -0.19 0.00 0.00 0.00 0.00 61.98 58.85 1xtf s VAL 70 Cb 0.20 -4.70 0.04 0.00 0.00 0.00 0.00 36.38 31.92 1xtf s VAL 70 CO 0.77 -1.34 0.54 -0.94 0.00 0.00 0.00 175.10 174.13 1xtf s SER 71 N 2.20 -0.37 -0.15 3.32 1.04 -1.20 -4.96 113.70 113.58 1xtf s SER 71 Ca 0.33 -0.28 -0.08 0.00 0.48 0.00 0.00 55.95 56.40 1xtf s SER 71 Cb -0.07 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.68 1xtf s SER 71 CO -0.06 -1.00 0.36 -0.47 0.98 0.00 0.00 173.24 173.04 1xtf s TYR 72 N -3.82 -0.53 0.02 5.02 5.04 -1.26 -5.00 117.35 116.82 1xtf s TYR 72 Ca 0.05 1.14 0.08 0.00 -2.44 0.00 0.00 57.07 55.91 1xtf s TYR 72 Cb -0.01 0.19 -0.02 0.00 0.35 0.00 0.00 41.96 42.47 1xtf s TYR 72 CO -0.08 -0.32 -0.24 0.71 -1.34 0.00 0.00 175.55 174.28 1xtf s TYR 73 N 1.51 2.16 -0.32 4.97 1.51 -1.26 -0.26 117.35 125.66 1xtf s TYR 73 Ca -0.08 -0.40 -0.07 0.00 -1.01 0.00 0.00 57.07 55.50 1xtf s TYR 73 Cb -0.09 -1.33 0.19 0.00 -0.11 0.00 0.00 41.96 40.61 1xtf s TYR 73 CO -0.11 0.06 0.97 0.34 -1.11 0.00 0.00 175.55 175.69 1xtf s ASP 74 N -0.96 -0.58 0.64 2.29 2.15 -1.26 -5.02 116.67 113.93 1xtf s ASP 74 Ca 0.10 -0.13 0.30 0.00 0.43 0.00 0.00 52.55 53.25 1xtf s ASP 74 Cb -0.09 1.01 1.66 0.00 -0.30 0.00 0.00 42.92 45.19 1xtf s ASP 74 CO 0.01 -0.08 1.93 0.77 -0.17 0.00 0.00 175.17 177.62 1xtf h SER 75 N 6.44 0.00 1.47 -0.34 4.64 -1.90 -2.40 113.55 121.46 1xtf h SER 75 Ca -0.05 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 1xtf h SER 75 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1xtf h SER 75 CO -0.05 0.00 -0.54 0.74 -0.87 0.00 0.00 176.83 176.11 1xtf h THR 76 N 0.00 0.14 -3.95 2.95 2.02 -1.95 -3.47 112.91 108.65 1xtf h THR 76 Ca 0.00 -1.22 -0.54 0.00 0.77 0.00 0.00 66.41 65.42 1xtf h THR 76 Cb 0.58 1.87 0.11 0.00 -1.74 0.00 0.00 68.15 68.97 1xtf h THR 76 CO 0.00 0.08 0.75 -0.47 0.37 0.00 0.00 175.52 176.25 1xtf s TYR 77 N -3.21 2.60 -1.51 3.16 5.04 -0.91 -2.92 117.35 119.59 1xtf s TYR 77 Ca 0.03 1.21 -0.06 0.00 -2.44 0.00 0.00 57.07 55.81 1xtf s TYR 77 Cb 0.07 -3.97 0.01 0.00 0.35 0.00 0.00 41.96 38.42 1xtf s TYR 77 CO 0.73 -2.88 0.75 1.28 -1.34 0.00 0.00 175.55 174.10 1xtf n LEU 78 N 0.35 -2.87 -0.13 6.97 4.77 -1.26 -4.90 117.00 119.93 1xtf n LEU 78 Ca 0.02 -0.35 0.06 0.00 -0.03 0.00 0.00 56.01 55.71 1xtf n LEU 78 Cb 0.40 -3.00 -0.04 0.00 -2.33 0.00 0.00 43.42 38.45 1xtf n LEU 78 CO 0.62 0.34 0.09 -1.54 -1.33 0.00 0.00 177.39 175.57 1xtf n SER 79 N -2.63 0.94 -4.62 -1.43 3.41 -1.15 -4.56 113.62 103.58 1xtf n SER 79 Ca -0.08 -0.97 -0.27 0.00 -0.26 0.00 0.00 58.87 57.28 1xtf n SER 79 Cb 0.61 0.77 -0.09 0.00 -0.26 0.00 0.00 64.21 65.24 1xtf n SER 79 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xtf s THR 80 N -1.91 3.53 0.44 6.66 -4.23 -1.26 -5.02 115.64 113.84 1xtf s THR 80 Ca 0.07 -1.44 0.15 0.00 -1.18 0.00 0.00 61.69 59.30 1xtf s THR 80 Cb 0.10 -2.74 0.34 0.00 1.34 0.00 0.00 72.50 71.54 1xtf s THR 80 CO 0.42 -0.06 1.96 0.44 -0.54 0.00 0.00 174.62 176.85 1xtf h ASP 81 N 2.97 0.35 -0.14 3.99 3.32 -1.99 -0.80 116.42 124.11 1xtf h ASP 81 Ca -0.47 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.46 1xtf h ASP 81 Cb 1.19 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1xtf h ASP 81 CO 0.56 0.20 -0.34 0.78 -1.72 0.00 0.00 179.24 178.72 1xtf h ASN 82 N 0.38 0.68 -0.10 6.45 2.35 -1.99 -0.84 115.58 122.51 1xtf h ASN 82 Ca 0.30 -0.28 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1xtf h ASN 82 Cb 0.68 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 1xtf h ASN 82 CO -0.08 0.96 -0.10 -0.33 -1.65 0.00 0.00 177.43 176.23 1xtf h GLU 83 N 0.55 0.25 -0.96 0.81 5.08 -1.60 -2.56 114.58 116.15 1xtf h GLU 83 Ca 0.06 -0.13 0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1xtf h GLU 83 Cb 0.84 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.02 1xtf h GLU 83 CO 0.07 0.66 0.59 0.87 -1.00 0.00 0.00 179.01 180.21 1xtf h LYS 84 N -0.16 0.95 -0.24 2.33 1.57 -1.15 0.30 116.57 120.17 1xtf h LYS 84 Ca 0.02 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1xtf h LYS 84 Cb 0.62 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1xtf h LYS 84 CO 0.03 0.63 -0.22 0.22 -0.57 0.00 0.00 179.45 179.53 1xtf h ASP 85 N 0.98 0.44 0.86 0.86 3.58 -1.13 -0.40 116.42 121.61 1xtf h ASP 85 Ca 0.46 -0.14 -0.19 0.00 0.42 0.00 0.00 57.03 57.58 1xtf h ASP 85 Cb 0.39 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 1xtf h ASP 85 CO -0.24 0.66 -0.91 -1.13 -2.88 0.00 0.00 179.24 174.75 1xtf h ASN 86 N 0.40 0.03 0.36 2.28 -0.73 -0.53 -2.67 115.58 114.72 1xtf h ASN 86 Ca 0.06 -0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.18 1xtf h ASN 86 Cb 0.60 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.19 1xtf h ASN 86 CO 0.04 0.92 -0.17 0.22 -0.37 0.00 0.00 177.43 178.07 1xtf h TYR 87 N 0.01 -0.45 -0.30 0.67 3.20 -0.02 0.15 116.97 120.23 1xtf h TYR 87 Ca -0.02 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.90 1xtf h TYR 87 Cb 1.59 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.96 1xtf h TYR 87 CO 0.00 -0.21 -0.07 1.25 -1.64 0.00 0.00 178.16 177.49 1xtf h LEU 88 N -0.60 -0.26 -1.00 2.82 5.85 -1.13 0.11 115.31 121.10 1xtf h LEU 88 Ca -0.05 0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 1xtf h LEU 88 Cb 0.44 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1xtf h LEU 88 CO 0.08 -0.09 -0.45 0.11 -0.34 0.00 0.00 178.44 177.75 1xtf h LYS 89 N 0.01 0.10 -0.00 1.25 1.57 -1.43 -1.65 116.57 116.42 1xtf h LYS 89 Ca 0.14 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1xtf h LYS 89 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1xtf h LYS 89 CO -0.30 0.54 0.00 0.78 -0.57 0.00 0.00 179.45 179.90 1xtf h GLY 90 N 1.33 0.00 1.00 3.86 0.00 0.44 -1.72 103.07 107.99 1xtf h GLY 90 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xtf h GLY 90 CO 0.06 0.00 0.42 -2.08 0.00 0.00 0.00 176.54 174.94 1xtf h VAL 91 N -0.26 1.19 -0.67 4.60 2.07 -0.67 -1.86 116.25 120.65 1xtf h VAL 91 Ca 0.00 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1xtf h VAL 91 Cb 0.26 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1xtf h VAL 91 CO 0.00 0.19 0.44 0.74 0.02 0.00 0.00 177.57 178.96 1xtf h THR 92 N 0.91 1.16 -0.19 2.57 2.02 -1.29 -0.83 112.91 117.26 1xtf h THR 92 Ca 0.24 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 1xtf h THR 92 Cb -0.05 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1xtf h THR 92 CO -0.05 0.16 -0.21 0.50 0.37 0.00 0.00 175.52 176.29 1xtf h LYS 93 N 0.90 0.34 -0.16 6.66 3.64 -0.91 -1.80 116.57 125.24 1xtf h LYS 93 Ca 0.25 -0.11 -0.16 0.00 -1.27 0.00 0.00 60.65 59.36 1xtf h LYS 93 Cb -0.09 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1xtf h LYS 93 CO -0.06 0.55 -0.58 -0.07 -2.27 0.00 0.00 179.45 177.02 1xtf h LEU 94 N 0.31 0.59 -0.78 5.20 3.38 -0.49 -1.53 115.31 121.99 1xtf h LEU 94 Ca 0.05 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1xtf h LEU 94 Cb 0.56 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1xtf h LEU 94 CO 0.04 1.04 0.48 -0.26 0.09 0.00 0.00 178.44 179.83 1xtf h PHE 95 N 0.40 1.01 -0.41 1.13 0.04 -0.81 0.16 116.94 118.46 1xtf h PHE 95 Ca 0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1xtf h PHE 95 Cb 1.13 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.92 1xtf h PHE 95 CO 0.04 0.67 -0.05 0.93 -0.60 0.00 0.00 178.31 179.30 1xtf h GLU 96 N 1.06 0.69 -0.41 1.51 4.39 -1.10 0.46 114.58 121.19 1xtf h GLU 96 Ca 0.28 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.72 1xtf h GLU 96 Cb -0.06 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1xtf h GLU 96 CO -0.05 0.74 -0.02 -0.09 -1.16 0.00 0.00 179.01 178.43 1xtf h ARG 97 N 0.64 0.73 0.09 2.33 2.43 -0.52 0.71 114.38 120.79 1xtf h ARG 97 Ca 0.12 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1xtf h ARG 97 Cb 0.48 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1xtf h ARG 97 CO 0.02 0.83 -0.04 0.82 -1.51 0.00 0.00 179.97 180.09 1xtf h ILE 98 N 0.56 1.04 -0.09 1.20 2.04 -0.60 -2.89 117.51 118.77 1xtf h ILE 98 Ca 0.11 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.50 1xtf h ILE 98 Cb 0.51 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1xtf h ILE 98 CO 0.02 0.12 0.09 0.22 0.00 0.00 0.00 178.15 178.61 1xtf h TYR 99 N -0.35 0.00 0.00 1.37 3.20 0.03 -2.05 116.97 119.17 1xtf h TYR 99 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1xtf h TYR 99 Cb 0.29 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1xtf h TYR 99 CO 0.00 0.00 0.00 -1.13 -1.64 0.00 0.00 178.16 175.39 1xtf n SER 100 N -3.87 0.00 -4.84 -2.11 3.41 0.23 -3.96 113.62 102.48 1xtf n SER 100 Ca -0.01 0.20 -0.26 0.00 -0.26 0.00 0.00 58.87 58.54 1xtf n SER 100 Cb 0.19 -0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 1xtf n SER 100 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xtf s THR 101 N -2.74 4.68 0.27 6.66 -4.23 -0.77 -5.01 115.64 114.50 1xtf s THR 101 Ca 0.15 -1.02 -0.04 0.00 -1.18 0.00 0.00 61.69 59.60 1xtf s THR 101 Cb 0.13 -3.41 0.22 0.00 1.34 0.00 0.00 72.50 70.78 1xtf s THR 101 CO 0.32 -0.13 1.89 0.44 -0.54 0.00 0.00 174.62 176.61 1xtf h ASP 102 N 2.26 0.98 -0.27 3.99 3.32 -1.86 -2.13 116.42 122.71 1xtf h ASP 102 Ca -0.48 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.45 1xtf h ASP 102 Cb 1.20 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1xtf h ASP 102 CO 0.64 0.79 0.03 0.25 -1.72 0.00 0.00 179.24 179.23 1xtf h LEU 103 N 1.10 0.44 -0.98 1.55 5.85 -1.94 -2.80 115.31 118.53 1xtf h LEU 103 Ca 0.28 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 1xtf h LEU 103 Cb 0.03 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1xtf h LEU 103 CO -0.05 0.60 -0.29 1.23 -0.34 0.00 0.00 178.44 179.59 1xtf h GLY 104 N 0.26 0.41 1.05 3.75 0.00 -1.60 -1.77 103.07 105.17 1xtf h GLY 104 Ca 0.08 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 1xtf h GLY 104 CO 0.01 0.32 0.06 -0.09 0.00 0.00 0.00 176.54 176.84 1xtf h ARG 105 N 0.34 1.02 -0.21 4.80 2.43 -1.36 -0.78 114.38 120.61 1xtf h ARG 105 Ca 0.05 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 58.89 1xtf h ARG 105 Cb 0.69 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1xtf h ARG 105 CO 0.05 0.97 -0.00 0.52 -1.51 0.00 0.00 179.97 180.00 1xtf h MET 106 N 0.92 0.37 -0.15 0.20 2.86 -1.27 -1.71 114.93 116.15 1xtf h MET 106 Ca 0.18 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1xtf h MET 106 Cb 0.47 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1xtf h MET 106 CO 0.02 0.57 0.09 1.25 1.06 0.00 0.00 176.91 179.90 1xtf h LEU 107 N 0.13 0.19 -1.47 1.22 5.85 -1.20 -0.03 115.31 120.00 1xtf h LEU 107 Ca 0.06 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1xtf h LEU 107 Cb 0.41 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1xtf h LEU 107 CO 0.01 0.18 0.02 -0.07 -0.34 0.00 0.00 178.44 178.25 1xtf h LEU 108 N 0.17 0.34 -0.41 2.25 3.38 -1.13 0.98 115.31 120.89 1xtf h LEU 108 Ca 0.05 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1xtf h LEU 108 Cb 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1xtf h LEU 108 CO -0.01 0.38 -0.15 0.74 0.09 0.00 0.00 178.44 179.49 1xtf h THR 109 N 0.36 1.28 -0.56 0.22 2.02 -0.80 -0.64 112.91 114.80 1xtf h THR 109 Ca 0.09 -1.27 -0.06 0.00 0.77 0.00 0.00 66.41 65.93 1xtf h THR 109 Cb 0.21 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1xtf h THR 109 CO 0.00 0.43 0.09 0.28 0.37 0.00 0.00 175.52 176.69 1xtf h SER 110 N 0.64 0.84 -0.49 4.18 0.02 -0.11 -1.98 113.55 116.64 1xtf h SER 110 Ca 0.10 -0.18 -0.11 0.00 -0.84 0.00 0.00 61.79 60.76 1xtf h SER 110 Cb 0.69 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1xtf h SER 110 CO 0.05 0.85 -0.13 0.40 -1.14 0.00 0.00 176.83 176.86 1xtf h ILE 111 N 0.84 1.27 -0.14 3.27 2.04 -0.54 -1.83 117.51 122.42 1xtf h ILE 111 Ca 0.17 -1.27 -0.11 0.00 1.00 0.00 0.00 64.86 64.65 1xtf h ILE 111 Cb 0.37 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1xtf h ILE 111 CO 0.01 0.44 -0.41 0.58 0.00 0.00 0.00 178.15 178.77 1xtf h VAL 112 N 0.82 1.31 0.00 1.67 2.07 -0.81 -2.42 116.25 118.88 1xtf h VAL 112 Ca 0.12 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1xtf h VAL 112 Cb 0.69 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1xtf h VAL 112 CO 0.05 0.46 0.00 0.54 0.02 0.00 0.00 177.57 178.65 1xtf n ARG 113 N -4.03 0.25 -0.57 1.57 1.74 -0.77 -4.36 116.66 110.49 1xtf n ARG 113 Ca -0.01 0.24 -0.05 0.00 -0.77 0.00 0.00 57.85 57.25 1xtf n ARG 113 Cb 0.49 -1.81 -0.07 0.00 -1.02 0.00 0.00 32.46 30.05 1xtf n ARG 113 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xtf n GLY 114 N 1.14 2.23 3.67 -0.13 0.00 -0.70 -4.61 105.19 106.80 1xtf n GLY 114 Ca 0.05 -0.50 -0.47 0.00 0.00 0.00 0.00 46.02 45.11 1xtf n GLY 114 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xtf n ILE 115 N 2.21 0.12 -1.75 -0.61 2.08 -1.26 -4.74 119.36 115.41 1xtf n ILE 115 Ca 0.18 -0.02 -0.42 0.00 0.56 0.00 0.00 62.75 63.05 1xtf n ILE 115 Cb 0.54 -1.59 -0.01 0.00 -0.75 0.00 0.00 39.64 37.82 1xtf n ILE 115 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1xtf n PRO 116 N 4.06 2.60 -1.57 0.38 -0.02 -1.26 -4.91 135.00 134.27 1xtf n PRO 116 Ca 0.18 0.92 -0.36 0.00 -2.02 0.00 0.00 63.50 62.21 1xtf n PRO 116 Cb 0.29 -2.65 0.08 0.00 -0.02 0.00 0.00 33.50 31.19 1xtf n PRO 116 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xtf n PHE 117 N 1.31 1.50 -2.42 6.00 7.35 0.26 -4.90 117.46 126.56 1xtf n PHE 117 Ca 0.06 0.42 -0.42 0.00 -0.76 0.00 0.00 57.45 56.74 1xtf n PHE 117 Cb 0.37 -2.20 0.00 0.00 0.35 0.00 0.00 39.48 38.01 1xtf n PHE 117 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 1xtf n TRP 118 N -2.18 2.72 -1.85 -5.13 7.02 -1.26 -4.60 117.44 112.16 1xtf n TRP 118 Ca 0.15 -2.74 -0.28 0.00 -1.02 0.00 0.00 57.50 53.61 1xtf n TRP 118 Cb 0.48 -1.76 0.04 0.00 -2.42 0.00 0.00 31.31 27.65 1xtf n TRP 118 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1xtf n GLY 119 N 2.23 6.17 1.49 6.99 0.00 -1.20 -2.81 105.19 118.05 1xtf n GLY 119 Ca 0.41 -2.56 0.09 0.00 0.00 0.00 0.00 46.02 43.96 1xtf n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xtf n GLY 120 N -0.74 2.49 3.93 -0.02 0.00 0.73 -4.95 105.19 106.63 1xtf n GLY 120 Ca 0.50 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1xtf n GLY 120 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xtf s SER 121 N -0.88 6.34 0.25 1.61 0.15 -1.26 -4.91 113.70 115.00 1xtf s SER 121 Ca 0.48 0.23 0.16 0.00 0.70 0.00 0.00 55.95 57.51 1xtf s SER 121 Cb 0.30 -1.93 0.04 0.00 -1.71 0.00 0.00 66.02 62.72 1xtf s SER 121 CO 0.24 0.12 1.33 0.71 1.20 0.00 0.00 173.24 176.84 1xtf h THR 122 N 1.89 0.72 -3.18 6.45 1.35 -1.93 -3.43 112.91 114.78 1xtf h THR 122 Ca -0.46 -2.06 -0.58 0.00 -0.55 0.00 0.00 66.41 62.75 1xtf h THR 122 Cb 1.17 2.30 -0.07 0.00 -1.73 0.00 0.00 68.15 69.83 1xtf h THR 122 CO 0.73 0.41 0.75 -0.63 -0.25 0.00 0.00 175.52 176.53 1xtf s ILE 123 N -2.98 4.66 -0.78 6.82 1.01 -1.26 -4.93 121.20 123.74 1xtf s ILE 123 Ca 0.03 1.86 0.08 0.00 0.00 0.00 0.00 60.65 62.62 1xtf s ILE 123 Cb 0.08 -4.31 0.08 0.00 0.01 0.00 0.00 42.46 38.32 1xtf s ILE 123 CO 0.75 -0.25 1.25 -0.90 0.00 0.00 0.00 174.94 175.80 1xtf n ASP 124 N 6.42 0.17 -0.83 3.58 5.75 -1.26 -2.24 116.55 128.13 1xtf n ASP 124 Ca 0.11 0.57 0.08 0.00 -0.01 0.00 0.00 54.79 55.54 1xtf n ASP 124 Cb 0.47 -0.60 0.23 0.00 -1.03 0.00 0.00 41.12 40.19 1xtf n ASP 124 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1xtf n THR 125 N -1.72 1.94 -5.22 2.12 -2.24 -1.26 -4.82 114.28 103.08 1xtf n THR 125 Ca 0.00 -1.64 -0.32 0.00 -2.27 0.00 0.00 64.05 59.83 1xtf n THR 125 Cb 0.04 -0.05 -0.17 0.00 -2.10 0.00 0.00 70.33 68.05 1xtf n THR 125 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1xtf s GLU 126 N -2.33 2.93 -0.15 -0.78 2.12 -0.95 0.14 118.70 119.68 1xtf s GLU 126 Ca 0.37 -0.88 -0.15 0.00 0.36 0.00 0.00 54.97 54.68 1xtf s GLU 126 Cb 0.28 -2.26 -0.05 0.00 0.26 0.00 0.00 34.13 32.37 1xtf s GLU 126 CO 0.11 0.21 0.32 -0.51 -0.54 0.00 0.00 175.26 174.86 1xtf s LEU 127 N 0.25 4.25 -0.15 2.70 1.43 -0.73 -4.51 118.68 121.91 1xtf s LEU 127 Ca -0.16 0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 53.40 1xtf s LEU 127 Cb -0.17 -2.43 0.05 0.00 0.03 0.00 0.00 46.19 43.67 1xtf s LEU 127 CO 0.08 0.08 0.37 -0.75 0.23 0.00 0.00 176.35 176.36 1xtf s LYS 128 N 0.49 0.37 0.76 1.70 2.20 -1.12 -1.45 119.74 122.68 1xtf s LYS 128 Ca 0.18 0.67 -0.15 0.00 -0.36 0.00 0.00 55.97 56.31 1xtf s LYS 128 Cb -0.13 0.02 0.05 0.00 -1.51 0.00 0.00 37.83 36.26 1xtf s LYS 128 CO 0.05 -0.13 1.22 0.54 -0.36 0.00 0.00 175.35 176.67 1xtf s VAL 129 N 1.06 2.11 -0.23 4.02 0.11 -1.26 -0.19 120.40 126.02 1xtf s VAL 129 Ca -0.07 0.05 -0.13 0.00 -2.93 0.00 0.00 61.98 58.90 1xtf s VAL 129 Cb -0.07 -2.61 -0.04 0.00 -1.53 0.00 0.00 36.38 32.12 1xtf s VAL 129 CO -0.09 -0.03 0.27 -0.63 -3.33 0.00 0.00 175.10 171.30 1xtf s ILE 130 N -1.97 5.28 0.37 7.04 1.01 -1.26 -4.34 121.20 127.33 1xtf s ILE 130 Ca 0.75 0.42 0.15 0.00 0.00 0.00 0.00 60.65 61.98 1xtf s ILE 130 Cb -0.30 -3.61 0.36 0.00 0.01 0.00 0.00 42.46 38.92 1xtf s ILE 130 CO 0.47 0.29 1.74 -2.24 0.00 0.00 0.00 174.94 175.20 1xtf h ASP 131 N 7.52 0.53 0.00 3.58 2.03 -1.96 -1.54 116.42 126.58 1xtf h ASP 131 Ca -0.37 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 1xtf h ASP 131 Cb 1.17 0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 1xtf h ASP 131 CO 0.68 0.06 0.00 0.35 -1.03 0.00 0.00 179.24 179.29 1xtf n THR 132 N -4.76 0.00 -0.71 1.15 -2.24 -1.26 -2.23 114.28 104.22 1xtf n THR 132 Ca 0.27 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.13 1xtf n THR 132 Cb 0.87 -0.33 0.31 0.00 -2.10 0.00 0.00 70.33 69.09 1xtf n THR 132 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xtf n ASN 133 N -0.73 4.46 -4.17 3.42 5.03 -0.58 -4.59 115.26 118.10 1xtf n ASN 133 Ca 0.09 -2.63 -0.21 0.00 0.87 0.00 0.00 54.58 52.70 1xtf n ASN 133 Cb 0.04 -0.54 -0.09 0.00 -1.02 0.00 0.00 39.78 38.17 1xtf n ASN 133 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xtf s ILE 135 N -3.44 0.93 -0.44 0.00 -4.36 0.39 -4.27 121.20 110.03 1xtf s ILE 135 Ca 0.32 -1.57 -0.16 0.00 -0.26 0.00 0.00 60.65 58.98 1xtf s ILE 135 Cb 0.05 -1.29 0.04 0.00 1.25 0.00 0.00 42.46 42.52 1xtf s ILE 135 CO 0.16 -0.52 0.37 0.20 0.24 0.00 0.00 174.94 175.39 1xtf s ASN 136 N -2.33 6.14 -0.20 4.36 0.01 -0.81 -0.51 114.94 121.61 1xtf s ASN 136 Ca 0.04 -1.00 -0.26 0.00 -0.71 0.00 0.00 52.86 50.93 1xtf s ASN 136 Cb -0.04 -2.19 -0.01 0.00 0.41 0.00 0.00 41.25 39.43 1xtf s ASN 136 CO 0.00 -0.56 0.86 -0.69 -1.51 0.00 0.00 177.10 175.20 1xtf s VAL 137 N 1.80 4.85 0.05 1.60 1.01 0.63 -1.75 120.40 128.59 1xtf s VAL 137 Ca 0.06 1.66 -0.31 0.00 0.00 0.00 0.00 61.98 63.40 1xtf s VAL 137 Cb -0.20 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 1xtf s VAL 137 CO 0.10 -0.02 1.35 -0.63 0.00 0.00 0.00 175.10 175.89 1xtf s ILE 138 N 2.46 3.66 0.55 2.22 1.01 0.11 -0.09 121.20 131.11 1xtf s ILE 138 Ca 0.38 1.13 -0.05 0.00 0.00 0.00 0.00 60.65 62.11 1xtf s ILE 138 Cb -0.16 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 1xtf s ILE 138 CO 0.10 0.05 0.85 -1.10 0.00 0.00 0.00 174.94 174.84 1xtf s GLN 139 N 1.66 3.14 0.43 2.79 -1.52 0.27 -4.70 119.66 121.74 1xtf s GLN 139 Ca 0.63 0.05 0.18 0.00 -1.95 0.00 0.00 55.36 54.27 1xtf s GLN 139 Cb -0.33 -2.32 1.11 0.00 -0.22 0.00 0.00 33.01 31.26 1xtf s GLN 139 CO 0.28 -0.51 1.87 -1.35 -0.25 0.00 0.00 175.29 175.32 1xtf h PRO 140 N -0.02 0.36 -0.91 2.91 0.11 -1.96 0.54 132.00 133.04 1xtf h PRO 140 Ca -0.46 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 1xtf h PRO 140 Cb 1.24 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.17 1xtf h PRO 140 CO 0.61 0.24 0.19 -0.40 -0.21 0.00 0.00 178.00 178.43 1xtf n ASP 141 N -4.49 3.43 0.00 -2.05 5.75 -1.26 -4.88 116.55 113.05 1xtf n ASP 141 Ca 0.19 -2.69 0.00 0.00 -0.01 0.00 0.00 54.79 52.28 1xtf n ASP 141 Cb 0.70 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 1xtf n ASP 141 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xtf n GLY 142 N -0.06 1.67 3.83 6.12 0.00 0.18 -4.98 105.19 111.94 1xtf n GLY 142 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1xtf n GLY 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xtf s SER 143 N -2.94 6.03 -0.17 1.61 1.04 -1.26 -4.66 113.70 113.35 1xtf s SER 143 Ca 0.00 1.63 -0.12 0.00 0.48 0.00 0.00 55.95 57.94 1xtf s SER 143 Cb 0.00 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.57 1xtf s SER 143 CO 0.00 -1.00 0.21 -0.31 0.98 0.00 0.00 173.24 173.12 1xtf s TYR 144 N -2.77 3.45 -0.28 5.02 2.02 -1.26 0.96 117.35 124.49 1xtf s TYR 144 Ca 0.59 0.47 -0.05 0.00 -0.37 0.00 0.00 57.07 57.71 1xtf s TYR 144 Cb -0.13 -2.22 0.02 0.00 -0.40 0.00 0.00 41.96 39.22 1xtf s TYR 144 CO 0.42 0.31 0.04 0.50 -1.57 0.00 0.00 175.55 175.25 1xtf s ARG 145 N 0.27 2.99 0.13 -0.62 3.52 0.87 -4.90 118.95 121.22 1xtf s ARG 145 Ca 0.12 -0.91 -0.31 0.00 -0.13 0.00 0.00 55.73 54.51 1xtf s ARG 145 Cb -0.12 -3.25 -0.08 0.00 -1.56 0.00 0.00 34.95 29.94 1xtf s ARG 145 CO 0.01 -0.44 1.33 0.45 -0.81 0.00 0.00 175.30 175.85 1xtf s SER 146 N 1.44 6.89 -0.01 -2.12 0.15 -1.26 -0.27 113.70 118.53 1xtf s SER 146 Ca 0.02 2.30 0.02 0.00 0.70 0.00 0.00 55.95 58.98 1xtf s SER 146 Cb -0.17 -2.59 -0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1xtf s SER 146 CO 0.00 -0.58 -0.05 -0.70 1.20 0.00 0.00 173.24 173.11 1xtf s GLU 147 N 0.69 0.44 0.27 5.44 2.12 0.33 -4.93 118.70 123.07 1xtf s GLU 147 Ca 0.61 -0.17 -0.23 0.00 0.36 0.00 0.00 54.97 55.54 1xtf s GLU 147 Cb -0.36 -0.44 -0.09 0.00 0.26 0.00 0.00 34.13 33.51 1xtf s GLU 147 CO 0.33 0.09 0.83 -1.21 -0.54 0.00 0.00 175.26 174.76 1xtf s GLU 148 N -0.03 4.43 0.09 4.30 2.02 -1.26 -0.46 118.70 127.78 1xtf s GLU 148 Ca 0.01 1.11 -0.18 0.00 0.02 0.00 0.00 54.97 55.93 1xtf s GLU 148 Cb -0.03 -2.86 0.04 0.00 0.10 0.00 0.00 34.13 31.38 1xtf s GLU 148 CO -0.00 0.35 0.42 -0.48 0.02 0.00 0.00 175.26 175.57 1xtf s LEU 149 N -1.97 0.32 -0.21 1.80 2.34 -1.16 -4.82 118.68 114.98 1xtf s LEU 149 Ca 0.46 -0.13 -0.04 0.00 0.06 0.00 0.00 54.13 54.48 1xtf s LEU 149 Cb -0.18 1.86 -0.20 0.00 -0.56 0.00 0.00 46.19 47.11 1xtf s LEU 149 CO 0.23 -0.77 0.00 0.59 -1.06 0.00 0.00 176.35 175.34 1xtf n ASN 150 N 0.11 2.03 -3.98 1.48 3.02 -0.06 -4.56 115.26 113.31 1xtf n ASN 150 Ca -0.17 0.05 -0.13 0.00 -0.03 0.00 0.00 54.58 54.30 1xtf n ASN 150 Cb 0.62 -0.64 -0.13 0.00 -0.61 0.00 0.00 39.78 39.02 1xtf n ASN 150 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xtf s LEU 151 N -6.86 2.13 -0.04 3.41 2.96 -0.90 -0.94 118.68 118.44 1xtf s LEU 151 Ca -0.30 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.33 1xtf s LEU 151 Cb 0.08 -0.12 0.01 0.00 0.50 0.00 0.00 46.19 46.67 1xtf s LEU 151 CO 0.65 -0.10 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.81 1xtf s VAL 152 N -0.75 0.77 -0.26 1.68 1.01 0.19 -0.69 120.40 122.35 1xtf s VAL 152 Ca -0.06 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 1xtf s VAL 152 Cb -0.06 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1xtf s VAL 152 CO -0.00 0.26 0.07 -0.63 0.00 0.00 0.00 175.10 174.80 1xtf s ILE 153 N 0.57 4.23 0.13 2.22 -1.09 0.15 -1.17 121.20 126.24 1xtf s ILE 153 Ca -0.09 -0.26 0.05 0.00 -2.23 0.00 0.00 60.65 58.11 1xtf s ILE 153 Cb -0.13 -3.01 -0.04 0.00 -1.58 0.00 0.00 42.46 37.71 1xtf s ILE 153 CO 0.01 0.30 -0.11 -0.51 -1.23 0.00 0.00 174.94 173.40 1xtf s ILE 154 N 1.59 1.19 0.81 2.92 2.07 -0.51 -0.30 121.20 128.97 1xtf s ILE 154 Ca 0.06 -1.87 -0.11 0.00 -1.41 0.00 0.00 60.65 57.31 1xtf s ILE 154 Cb -0.15 -1.65 0.08 0.00 0.13 0.00 0.00 42.46 40.87 1xtf s ILE 154 CO 0.03 -0.60 1.12 -0.83 -1.91 0.00 0.00 174.94 172.75 1xtf s GLY 155 N -2.81 1.78 0.97 1.50 0.00 0.35 -1.08 107.32 108.02 1xtf s GLY 155 Ca 0.12 0.46 -0.12 0.00 0.00 0.00 0.00 44.72 45.18 1xtf s GLY 155 CO 0.01 0.83 1.09 2.56 0.00 0.00 0.00 173.10 177.59 1xtf s PRO 156 N -4.66 0.67 0.00 2.90 0.04 -1.26 -2.27 135.00 130.41 1xtf s PRO 156 Ca 0.65 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1xtf s PRO 156 Cb -0.20 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1xtf s PRO 156 CO 0.55 -2.65 0.00 0.45 0.04 0.00 0.00 177.00 175.39 1xtf n SER 157 N -4.16 0.00 -0.26 6.66 2.88 -1.26 -1.94 113.62 115.54 1xtf n SER 157 Ca 0.06 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.60 1xtf n SER 157 Cb 0.55 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.07 1xtf n SER 157 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xtf h ALA 158 N -1.69 0.29 -1.89 -1.46 0.00 -1.85 -3.30 119.26 109.36 1xtf h ALA 158 Ca 0.00 0.26 -0.58 0.00 0.00 0.00 0.00 54.91 54.59 1xtf h ALA 158 Cb 0.00 0.70 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 1xtf h ALA 158 CO 0.00 -0.52 0.78 0.34 0.00 0.00 0.00 179.25 179.85 1xtf s ASP 159 N -5.23 6.71 0.35 0.00 -1.08 -1.26 -4.41 116.67 111.74 1xtf s ASP 159 Ca -0.14 0.61 0.03 0.00 -0.52 0.00 0.00 52.55 52.53 1xtf s ASP 159 Cb 0.20 -2.51 0.64 0.00 -1.46 0.00 0.00 42.92 39.79 1xtf s ASP 159 CO 0.73 -1.03 1.96 0.40 0.52 0.00 0.00 175.17 177.75 1xtf h ILE 160 N 5.98 1.17 -0.58 4.11 2.04 -0.72 -3.05 117.51 126.46 1xtf h ILE 160 Ca -0.22 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1xtf h ILE 160 Cb 1.07 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1xtf h ILE 160 CO 1.05 0.20 0.00 2.30 0.00 0.00 0.00 178.15 181.70 1xtf n ILE 161 N -4.38 1.80 -3.00 -0.67 -5.35 -1.26 -4.71 119.36 101.79 1xtf n ILE 161 Ca 0.04 -1.09 -0.44 0.00 -0.27 0.00 0.00 62.75 60.98 1xtf n ILE 161 Cb 0.13 0.01 -0.03 0.00 -1.74 0.00 0.00 39.64 38.00 1xtf n ILE 161 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1xtf s GLN 162 N -1.96 3.48 0.06 6.28 0.74 -1.16 -5.01 119.66 122.09 1xtf s GLN 162 Ca 0.47 -1.71 -0.12 0.00 0.05 0.00 0.00 55.36 54.05 1xtf s GLN 162 Cb 0.31 -4.69 -0.06 0.00 1.10 0.00 0.00 33.01 29.67 1xtf s GLN 162 CO 0.21 -1.68 0.42 -0.06 -0.55 0.00 0.00 175.29 173.62 1xtf s PHE 163 N 2.47 3.63 0.03 1.67 0.08 -1.26 -4.78 117.98 119.83 1xtf s PHE 163 Ca 0.27 0.88 -0.28 0.00 0.12 0.00 0.00 56.93 57.91 1xtf s PHE 163 Cb -0.09 -2.22 0.09 0.00 -0.57 0.00 0.00 43.02 40.23 1xtf s PHE 163 CO -0.05 0.55 1.03 -1.83 -0.10 0.00 0.00 175.22 174.82 1xtf s GLU 164 N -1.65 0.83 -0.32 0.44 -1.05 -1.03 -4.85 118.70 111.05 1xtf s GLU 164 Ca 0.31 -0.41 -0.06 0.00 -0.15 0.00 0.00 54.97 54.65 1xtf s GLU 164 Cb -0.15 0.31 0.03 0.00 -0.44 0.00 0.00 34.13 33.89 1xtf s GLU 164 CO 0.17 -0.37 0.09 0.00 0.95 0.00 0.00 175.26 176.10 1xtf s LYS 166 N 1.43 1.74 0.11 0.00 -2.85 -0.02 -4.94 119.74 115.20 1xtf s LYS 166 Ca -0.00 -1.93 -0.25 0.00 -1.00 0.00 0.00 55.97 52.79 1xtf s LYS 166 Cb -0.19 -1.33 0.08 0.00 -2.06 0.00 0.00 37.83 34.33 1xtf s LYS 166 CO 0.02 -0.02 0.69 -1.54 0.10 0.00 0.00 175.35 174.61 1xtf s SER 167 N -3.56 -0.51 0.26 0.03 1.04 -1.26 -0.01 113.70 109.69 1xtf s SER 167 Ca 0.33 0.01 -0.29 0.00 0.48 0.00 0.00 55.95 56.47 1xtf s SER 167 Cb 0.06 0.53 -0.09 0.00 0.10 0.00 0.00 66.02 66.62 1xtf s SER 167 CO 0.15 -0.86 0.95 -0.36 0.98 0.00 0.00 173.24 174.10 1xtf s PHE 168 N -3.53 3.92 0.66 5.02 0.08 -1.26 -5.06 117.98 117.81 1xtf s PHE 168 Ca 0.02 1.89 0.00 0.00 0.12 0.00 0.00 56.93 58.96 1xtf s PHE 168 Cb -0.01 -2.98 0.10 0.00 -0.57 0.00 0.00 43.02 39.56 1xtf s PHE 168 CO -0.12 0.38 0.92 0.20 -0.10 0.00 0.00 175.22 176.50 1xtf s GLY 169 N -1.25 1.78 0.37 4.36 0.00 -1.26 -4.96 107.32 106.36 1xtf s GLY 169 Ca 0.43 -1.64 0.08 0.00 0.00 0.00 0.00 44.72 43.59 1xtf s GLY 169 CO 0.31 -1.16 0.17 -1.58 0.00 0.00 0.00 173.10 170.84 1xtf s HIS 170 N -3.00 2.67 -0.31 1.90 2.46 -1.25 -5.00 115.29 112.76 1xtf s HIS 170 Ca 0.63 -0.46 0.25 0.00 0.47 0.00 0.00 55.06 55.96 1xtf s HIS 170 Cb -0.07 -1.78 0.57 0.00 -0.13 0.00 0.00 32.58 31.17 1xtf s HIS 170 CO 0.42 0.26 1.69 0.93 -2.47 0.00 0.00 174.74 175.57 1xtf h GLU 171 N 1.48 0.00 0.00 2.88 3.07 -2.04 -3.40 114.58 116.56 1xtf h GLU 171 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1xtf h GLU 171 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1xtf h GLU 171 CO 0.65 0.02 -0.17 1.55 -1.40 0.00 0.00 179.01 179.65 1xtf n VAL 172 N -3.10 0.00 -2.63 3.13 3.14 -1.26 -5.09 118.33 112.52 1xtf n VAL 172 Ca 0.03 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.01 1xtf n VAL 172 Cb 0.48 -0.12 -0.05 0.00 -1.06 0.00 0.00 33.84 33.10 1xtf n VAL 172 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1xtf s LEU 173 N -2.70 4.58 -1.05 6.55 1.43 -1.26 -4.98 118.68 121.25 1xtf s LEU 173 Ca 0.00 2.05 -0.09 0.00 -1.03 0.00 0.00 54.13 55.06 1xtf s LEU 173 Cb 0.00 -3.61 0.26 0.00 0.03 0.00 0.00 46.19 42.87 1xtf s LEU 173 CO 0.00 -0.01 1.02 0.20 0.23 0.00 0.00 176.35 177.80 1xtf s ASN 174 N -0.81 7.09 0.37 2.29 -0.87 -1.26 -3.82 114.94 117.93 1xtf s ASN 174 Ca 0.44 -3.49 0.12 0.00 -1.57 0.00 0.00 52.86 48.36 1xtf s ASN 174 Cb -0.28 -2.17 0.92 0.00 -0.02 0.00 0.00 41.25 39.70 1xtf s ASN 174 CO 0.35 -0.31 1.84 -0.07 -2.57 0.00 0.00 177.10 176.34 1xtf h LEU 175 N 6.74 0.57 -0.00 0.60 3.38 -1.93 -0.33 115.31 124.34 1xtf h LEU 175 Ca 0.16 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1xtf h LEU 175 Cb 0.89 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1xtf h LEU 175 CO 0.96 0.24 0.00 0.35 0.09 0.00 0.00 178.44 180.08 1xtf n THR 176 N -4.58 0.25 -1.02 0.22 -2.24 -1.26 -0.20 114.28 105.46 1xtf n THR 176 Ca 0.19 0.06 0.02 0.00 -2.27 0.00 0.00 64.05 62.06 1xtf n THR 176 Cb 0.59 -0.63 0.03 0.00 -2.10 0.00 0.00 70.33 68.23 1xtf n THR 176 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xtf n ARG 177 N -1.50 1.03 -0.10 -0.78 1.74 -0.19 -1.62 116.66 115.24 1xtf n ARG 177 Ca 0.06 -1.34 0.06 0.00 -0.77 0.00 0.00 57.85 55.86 1xtf n ARG 177 Cb 0.30 -0.85 0.09 0.00 -1.02 0.00 0.00 32.46 30.98 1xtf n ARG 177 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1xtf n ASN 178 N -0.45 1.91 0.00 0.55 0.23 -0.84 -4.84 115.26 111.83 1xtf n ASN 178 Ca 0.04 -2.63 0.00 0.00 -0.53 0.00 0.00 54.58 51.46 1xtf n ASN 178 Cb 0.52 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1xtf n ASN 178 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xtf n GLY 179 N -1.00 1.93 0.07 4.83 0.00 0.38 -4.79 105.19 106.61 1xtf n GLY 179 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 1xtf n GLY 179 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xtf h TYR 180 N 0.00 -0.01 0.00 1.61 -1.99 -1.78 -3.37 116.97 111.43 1xtf h TYR 180 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xtf h TYR 180 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1xtf h TYR 180 CO 0.00 0.67 0.00 0.41 -0.00 0.00 0.00 178.16 179.24 1xtf n GLY 181 N 0.83 -1.51 3.37 3.88 0.00 0.72 -0.57 105.19 111.91 1xtf n GLY 181 Ca -0.09 -1.56 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 1xtf n GLY 181 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xtf s SER 182 N -3.51 -0.39 0.08 1.61 1.04 -1.20 -4.23 113.70 107.11 1xtf s SER 182 Ca 0.00 0.15 -0.35 0.00 0.48 0.00 0.00 55.95 56.23 1xtf s SER 182 Cb 0.00 0.46 -0.14 0.00 0.10 0.00 0.00 66.02 66.44 1xtf s SER 182 CO 0.00 -0.68 1.56 0.41 0.98 0.00 0.00 173.24 175.51 1xtf n THR 183 N 0.51 0.09 -3.87 2.02 -1.04 -1.26 -4.52 114.28 106.22 1xtf n THR 183 Ca -0.19 -0.02 -0.35 0.00 -2.04 0.00 0.00 64.05 61.46 1xtf n THR 183 Cb 0.60 -1.36 -0.08 0.00 -1.82 0.00 0.00 70.33 67.66 1xtf n THR 183 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1xtf s GLN 184 N 1.33 3.92 -0.32 -2.82 -1.52 -0.12 -4.46 119.66 115.68 1xtf s GLN 184 Ca 0.83 -0.24 -0.04 0.00 -1.95 0.00 0.00 55.36 53.95 1xtf s GLN 184 Cb -0.78 -3.29 0.04 0.00 -0.22 0.00 0.00 33.01 28.77 1xtf s GLN 184 CO 0.44 0.41 0.06 0.71 -0.25 0.00 0.00 175.29 176.65 1xtf s TYR 185 N 0.02 3.25 -0.33 0.91 1.51 0.99 -0.63 117.35 123.07 1xtf s TYR 185 Ca 0.08 -1.60 -0.13 0.00 -1.01 0.00 0.00 57.07 54.41 1xtf s TYR 185 Cb -0.12 -2.20 -0.02 0.00 -0.11 0.00 0.00 41.96 39.51 1xtf s TYR 185 CO -0.00 -0.76 0.27 0.42 -1.11 0.00 0.00 175.55 174.38 1xtf s ILE 186 N 1.34 5.25 -0.17 2.71 1.01 -0.32 -0.84 121.20 130.19 1xtf s ILE 186 Ca -0.03 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.29 1xtf s ILE 186 Cb -0.19 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.56 1xtf s ILE 186 CO 0.01 0.02 1.00 -0.13 0.00 0.00 0.00 174.94 175.84 1xtf s ARG 187 N 1.83 4.34 -0.02 2.79 0.52 -0.11 -1.43 118.95 126.87 1xtf s ARG 187 Ca 0.08 1.34 -0.29 0.00 -0.52 0.00 0.00 55.73 56.34 1xtf s ARG 187 Cb -0.17 -3.59 0.08 0.00 0.52 0.00 0.00 34.95 31.79 1xtf s ARG 187 CO 0.11 -0.46 0.72 0.12 0.02 0.00 0.00 175.30 175.81 1xtf s PHE 188 N 2.55 -0.58 -0.04 -0.53 5.36 -0.24 -2.46 117.98 122.04 1xtf s PHE 188 Ca 0.45 0.87 -0.00 0.00 -0.96 0.00 0.00 56.93 57.29 1xtf s PHE 188 Cb -0.17 0.45 0.03 0.00 -0.34 0.00 0.00 43.02 42.99 1xtf s PHE 188 CO 0.12 -0.62 0.01 0.45 -1.46 0.00 0.00 175.22 173.72 1xtf s SER 189 N -1.53 0.84 0.00 6.13 0.15 -1.26 -4.07 113.70 113.96 1xtf s SER 189 Ca -0.07 -0.03 0.29 0.00 0.70 0.00 0.00 55.95 56.84 1xtf s SER 189 Cb -0.00 -0.28 1.36 0.00 -1.71 0.00 0.00 66.02 65.39 1xtf s SER 189 CO 0.04 -0.14 1.93 -0.81 1.20 0.00 0.00 173.24 175.46 1xtf n PRO 190 N 4.53 1.06 0.00 5.44 -0.04 -1.26 -4.00 135.00 140.72 1xtf n PRO 190 Ca -0.19 -0.38 0.14 0.00 -0.04 0.00 0.00 63.50 63.03 1xtf n PRO 190 Cb 0.50 -1.49 0.49 0.00 -0.04 0.00 0.00 33.50 32.96 1xtf n PRO 190 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xtf n ASP 191 N -0.64 0.87 -4.14 3.54 8.00 -1.26 -4.64 116.55 118.28 1xtf n ASP 191 Ca 0.18 -0.86 -0.09 0.00 0.71 0.00 0.00 54.79 54.73 1xtf n ASP 191 Cb 0.25 0.04 -0.10 0.00 -0.02 0.00 0.00 41.12 41.29 1xtf n ASP 191 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1xtf s PHE 192 N -2.41 0.73 0.21 1.24 0.40 -1.26 -1.55 117.98 115.34 1xtf s PHE 192 Ca 0.28 -1.00 -0.14 0.00 -0.60 0.00 0.00 56.93 55.47 1xtf s PHE 192 Cb 0.20 -0.46 0.01 0.00 0.51 0.00 0.00 43.02 43.27 1xtf s PHE 192 CO 0.48 -0.27 0.45 -0.08 0.70 0.00 0.00 175.22 176.50 1xtf s THR 193 N -3.77 0.03 -0.04 0.64 -1.32 -0.74 -4.90 115.64 105.54 1xtf s THR 193 Ca 0.10 -1.15 -0.02 0.00 -1.21 0.00 0.00 61.69 59.41 1xtf s THR 193 Cb 0.07 -1.87 -0.04 0.00 -1.51 0.00 0.00 72.50 69.15 1xtf s THR 193 CO -0.07 -0.12 0.09 -0.36 -2.21 0.00 0.00 174.62 171.95 1xtf s PHE 194 N -3.95 3.34 -0.05 9.09 0.40 -1.26 -0.98 117.98 124.57 1xtf s PHE 194 Ca 0.16 0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 56.71 1xtf s PHE 194 Cb 0.00 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.71 1xtf s PHE 194 CO 0.02 0.57 0.17 0.20 0.70 0.00 0.00 175.22 176.88 1xtf s GLY 195 N -1.50 2.17 0.29 4.36 0.00 0.75 -1.18 107.32 112.20 1xtf s GLY 195 Ca 0.20 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.25 1xtf s GLY 195 CO 0.11 -0.54 0.18 -0.11 0.00 0.00 0.00 173.10 172.74 1xtf s PHE 196 N -1.20 1.54 0.18 1.90 -0.71 0.37 0.38 117.98 120.44 1xtf s PHE 196 Ca 0.22 -1.45 0.09 0.00 -1.04 0.00 0.00 56.93 54.75 1xtf s PHE 196 Cb -0.12 -0.75 -0.04 0.00 -1.21 0.00 0.00 43.02 40.89 1xtf s PHE 196 CO 0.13 -0.64 -0.13 -1.21 -1.34 0.00 0.00 175.22 172.03 1xtf s GLU 197 N -3.80 1.95 0.00 1.99 2.02 -1.26 -0.68 118.70 118.92 1xtf s GLU 197 Ca 0.38 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 54.06 1xtf s GLU 197 Cb 0.05 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 32.18 1xtf s GLU 197 CO 0.19 0.43 0.00 -1.91 0.02 0.00 0.00 175.26 173.99 1xtf n GLU 198 N 0.11 -2.09 0.00 1.61 4.07 -0.87 -4.96 120.64 118.51 1xtf n GLU 198 Ca -0.11 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 1xtf n GLU 198 Cb 0.55 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.93 1xtf n GLU 198 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1xtf n SER 199 N 0.00 0.00 -4.66 4.31 2.88 -1.26 -0.23 113.62 114.66 1xtf n SER 199 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1xtf n SER 199 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1xtf n SER 199 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1xtf s LEU 200 N 0.00 4.36 0.00 2.46 1.43 -1.26 -4.96 118.68 120.71 1xtf s LEU 200 Ca 0.00 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 1xtf s LEU 200 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1xtf s LEU 200 CO 0.00 -1.06 0.00 -0.62 0.23 0.00 0.00 176.35 174.90 1xtf n GLU 201 N 7.49 3.57 0.00 1.70 -0.58 -1.26 -5.15 120.64 126.40 1xtf n GLU 201 Ca 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1xtf n GLU 201 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 1xtf n GLU 201 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1xtf n VAL 202 N 0.00 0.00 0.02 2.62 0.31 -1.26 -5.11 118.33 114.92 1xtf n VAL 202 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xtf n VAL 202 Cb 0.00 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 1xtf n VAL 202 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xtf n ASP 203 N -1.87 0.33 -3.61 4.52 8.00 -1.26 -5.06 116.55 117.60 1xtf n ASP 203 Ca 0.00 0.08 -0.29 0.00 0.71 0.00 0.00 54.79 55.28 1xtf n ASP 203 Cb 0.00 -0.07 -0.14 0.00 -0.02 0.00 0.00 41.12 40.89 1xtf n ASP 203 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xtf s THR 204 N -1.37 0.50 -0.32 -3.53 -4.23 -1.26 -5.02 115.64 100.41 1xtf s THR 204 Ca 0.00 -1.46 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 1xtf s THR 204 Cb 0.00 -1.38 0.26 0.00 1.34 0.00 0.00 72.50 72.72 1xtf s THR 204 CO 0.00 -0.80 1.31 -3.20 -0.54 0.00 0.00 174.62 171.39 1xtf n ASN 205 N 4.57 -1.20 -2.63 3.99 5.15 -1.26 -5.02 115.26 118.86 1xtf n ASN 205 Ca 0.02 -1.80 -0.33 0.00 -0.60 0.00 0.00 54.58 51.87 1xtf n ASN 205 Cb 0.40 1.11 0.03 0.00 -0.53 0.00 0.00 39.78 40.78 1xtf n ASN 205 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1xtf n PRO 206 N 0.21 3.07 -0.31 1.20 -0.04 -1.26 -4.76 135.00 133.11 1xtf n PRO 206 Ca -0.12 -3.93 0.09 0.00 -0.04 0.00 0.00 63.50 59.50 1xtf n PRO 206 Cb 0.73 -2.26 0.25 0.00 -0.04 0.00 0.00 33.50 32.17 1xtf n PRO 206 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1xtf h LEU 207 N 2.69 0.59 -0.36 1.53 5.85 -2.05 -1.25 115.31 122.31 1xtf h LEU 207 Ca 0.46 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.27 1xtf h LEU 207 Cb 0.54 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1xtf h LEU 207 CO 1.18 0.23 -0.02 0.18 -0.34 0.00 0.00 178.44 179.67 1xtf n LEU 208 N -4.85 0.59 0.00 2.25 4.77 -1.26 -5.04 117.00 113.46 1xtf n LEU 208 Ca 0.19 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1xtf n LEU 208 Cb 0.47 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1xtf n LEU 208 CO 0.21 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1xtf n GLY 209 N 1.12 -1.31 3.78 -0.72 0.00 -0.47 -4.92 105.19 102.66 1xtf n GLY 209 Ca 0.20 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 1xtf n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtf s ALA 210 N -1.80 2.68 0.63 4.61 0.00 -1.26 -5.00 121.76 121.62 1xtf s ALA 210 Ca 0.00 0.76 -0.14 0.00 0.00 0.00 0.00 51.96 52.58 1xtf s ALA 210 Cb 0.00 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1xtf s ALA 210 CO 0.00 -0.79 1.06 0.20 0.00 0.00 0.00 175.76 176.23 1xtf s GLY 211 N -1.91 1.96 -0.29 0.00 0.00 0.68 -4.78 107.32 102.97 1xtf s GLY 211 Ca 0.71 0.28 -0.06 0.00 0.00 0.00 0.00 44.72 45.65 1xtf s GLY 211 CO 0.28 0.60 0.07 0.54 0.00 0.00 0.00 173.10 174.59 1xtf s LYS 212 N -4.43 3.07 0.41 2.90 1.02 -1.26 -2.06 119.74 119.40 1xtf s LYS 212 Ca 0.62 -0.87 0.06 0.00 0.02 0.00 0.00 55.97 55.80 1xtf s LYS 212 Cb -0.15 -3.35 -0.07 0.00 -0.52 0.00 0.00 37.83 33.74 1xtf s LYS 212 CO 0.44 -0.44 0.02 -0.06 -0.92 0.00 0.00 175.35 174.38 1xtf s PHE 213 N 1.49 2.37 0.06 3.18 0.40 0.15 -0.48 117.98 125.15 1xtf s PHE 213 Ca 0.02 -0.74 0.09 0.00 -0.60 0.00 0.00 56.93 55.70 1xtf s PHE 213 Cb -0.17 -1.69 -0.03 0.00 0.51 0.00 0.00 43.02 41.64 1xtf s PHE 213 CO 0.02 0.36 -0.24 0.00 0.70 0.00 0.00 175.22 176.06 1xtf s ALA 214 N -2.81 2.06 0.09 5.36 0.00 0.16 -0.48 121.76 126.14 1xtf s ALA 214 Ca 0.32 -1.22 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 1xtf s ALA 214 Cb 0.09 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.76 1xtf s ALA 214 CO 0.16 0.47 1.06 0.99 0.00 0.00 0.00 175.76 178.44 1xtf s THR 215 N -0.87 4.32 -0.00 0.00 2.01 -0.32 -4.85 115.64 115.92 1xtf s THR 215 Ca 0.10 1.81 -0.30 0.00 0.31 0.00 0.00 61.69 63.61 1xtf s THR 215 Cb -0.10 -4.16 -0.06 0.00 0.01 0.00 0.00 72.50 68.20 1xtf s THR 215 CO 0.03 0.22 1.44 -0.62 -0.69 0.00 0.00 174.62 175.00 1xtf s ASP 216 N 0.46 6.81 0.56 3.53 -1.08 -1.26 -4.60 116.67 121.09 1xtf s ASP 216 Ca 0.51 2.15 0.27 0.00 -0.52 0.00 0.00 52.55 54.96 1xtf s ASP 216 Cb -0.26 -2.56 1.49 0.00 -1.46 0.00 0.00 42.92 40.13 1xtf s ASP 216 CO 0.31 -0.76 1.99 -0.65 0.52 0.00 0.00 175.17 176.58 1xtf h PRO 217 N 8.05 0.00 0.00 4.34 0.11 -1.94 -1.03 132.00 141.53 1xtf h PRO 217 Ca -0.38 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.66 1xtf h PRO 217 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1xtf h PRO 217 CO 0.91 0.00 -0.32 0.00 -0.21 0.00 0.00 178.00 178.38 1xtf h ALA 218 N 1.65 1.44 -0.06 -0.75 0.00 -1.93 0.43 119.26 120.04 1xtf h ALA 218 Ca 0.21 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1xtf h ALA 218 Cb 0.96 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1xtf h ALA 218 CO -0.00 0.40 -0.48 0.28 0.00 0.00 0.00 179.25 179.45 1xtf h VAL 219 N 0.00 1.40 -0.64 0.00 2.07 -1.58 -0.57 116.25 116.94 1xtf h VAL 219 Ca -0.00 -1.88 -0.02 0.00 0.82 0.00 0.00 66.70 65.62 1xtf h VAL 219 Cb 0.58 2.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 1xtf h VAL 219 CO 0.04 0.55 0.32 0.74 0.02 0.00 0.00 177.57 179.24 1xtf h THR 220 N -0.03 1.20 -0.06 2.57 2.02 -1.41 0.49 112.91 117.68 1xtf h THR 220 Ca -0.04 -0.55 -0.20 0.00 0.77 0.00 0.00 66.41 66.38 1xtf h THR 220 Cb 1.15 0.38 0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1xtf h THR 220 CO 0.10 0.24 -0.76 0.25 0.37 0.00 0.00 175.52 175.71 1xtf h LEU 221 N 0.89 0.78 -1.00 2.58 5.85 -0.90 -3.12 115.31 120.39 1xtf h LEU 221 Ca 0.22 -0.69 0.05 0.00 0.84 0.00 0.00 57.88 58.30 1xtf h LEU 221 Cb 0.07 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1xtf h LEU 221 CO -0.03 1.36 0.65 0.00 -0.34 0.00 0.00 178.44 180.08 1xtf h ALA 222 N 0.44 1.34 -0.00 1.25 0.00 -0.46 -1.11 119.26 120.71 1xtf h ALA 222 Ca -0.08 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1xtf h ALA 222 Cb 1.42 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1xtf h ALA 222 CO 0.15 0.51 -0.32 1.25 0.00 0.00 0.00 179.25 180.84 1xtf h HIS 223 N 1.23 -0.88 -0.62 0.00 -0.00 -0.93 -0.55 115.15 113.39 1xtf h HIS 223 Ca 0.41 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.82 1xtf h HIS 223 Cb 0.06 0.39 -0.03 0.00 -0.00 0.00 0.00 27.41 27.83 1xtf h HIS 223 CO -0.00 -0.41 0.41 1.96 -0.00 0.00 0.00 177.93 179.89 1xtf h GLN 224 N -0.47 0.81 0.00 5.26 1.08 -1.29 -2.19 115.11 118.31 1xtf h GLN 224 Ca 0.06 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.11 1xtf h GLN 224 Cb 0.56 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1xtf h GLN 224 CO -0.27 0.54 -0.47 -0.07 -0.95 0.00 0.00 178.83 177.61 1xtf h LEU 225 N 0.83 0.00 -0.48 1.46 3.38 -0.62 -1.60 115.31 118.29 1xtf h LEU 225 Ca 0.23 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 1xtf h LEU 225 Cb -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1xtf h LEU 225 CO -0.05 0.47 -0.12 0.40 0.09 0.00 0.00 178.44 179.23 1xtf h ILE 226 N 0.00 1.27 -0.96 1.22 2.04 -0.49 0.13 117.51 120.72 1xtf h ILE 226 Ca -0.00 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1xtf h ILE 226 Cb 0.84 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 1xtf h ILE 226 CO 0.06 0.43 0.62 0.45 0.00 0.00 0.00 178.15 179.71 1xtf h HIS 227 N 0.77 1.24 -0.58 1.37 3.86 -1.15 -2.15 115.15 118.50 1xtf h HIS 227 Ca 0.12 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1xtf h HIS 227 Cb 0.67 -0.41 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 1xtf h HIS 227 CO 0.05 0.80 0.22 0.00 0.86 0.00 0.00 177.93 179.86 1xtf h ALA 228 N 1.34 0.76 -0.16 2.45 0.00 -0.58 -2.01 119.26 121.05 1xtf h ALA 228 Ca 0.35 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1xtf h ALA 228 Cb -0.11 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.39 1xtf h ALA 228 CO -0.07 0.38 -0.22 0.78 0.00 0.00 0.00 179.25 180.12 1xtf h GLY 229 N 0.81 -0.19 0.48 0.00 0.00 -0.14 0.15 103.07 104.18 1xtf h GLY 229 Ca 0.19 0.27 0.09 0.00 0.00 0.00 0.00 47.33 47.88 1xtf h GLY 229 CO -0.01 -0.19 0.29 0.45 0.00 0.00 0.00 176.54 177.08 1xtf h HIS 230 N -0.27 0.53 -0.00 5.60 3.86 -1.15 -2.81 115.15 120.91 1xtf h HIS 230 Ca 0.11 0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 59.17 1xtf h HIS 230 Cb 0.43 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 1xtf h HIS 230 CO -0.34 0.18 -0.81 0.00 0.86 0.00 0.00 177.93 177.82 1xtf h ARG 231 N 0.52 0.11 -0.05 2.45 3.08 -0.88 -0.29 114.38 119.32 1xtf h ARG 231 Ca 0.31 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 60.16 1xtf h ARG 231 Cb 0.33 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1xtf h ARG 231 CO -0.26 0.86 -0.38 -0.07 -1.07 0.00 0.00 179.97 179.05 1xtf h LEU 232 N 0.07 0.11 -1.94 3.04 3.38 -0.55 -2.47 115.31 116.95 1xtf h LEU 232 Ca -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1xtf h LEU 232 Cb 1.42 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1xtf h LEU 232 CO 0.12 0.49 0.00 -1.22 0.09 0.00 0.00 178.44 177.91 1xtf n TYR 233 N -4.07 0.62 -3.27 1.13 4.02 -1.08 -3.73 117.16 110.80 1xtf n TYR 233 Ca -0.02 -0.31 -0.24 0.00 -0.01 0.00 0.00 57.90 57.33 1xtf n TYR 233 Cb 0.43 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.79 1xtf n TYR 233 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xtf n GLY 234 N 1.36 -0.52 0.52 2.72 0.00 -0.94 -4.19 105.19 104.14 1xtf n GLY 234 Ca 0.18 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.42 1xtf n GLY 234 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xtf n ILE 235 N -4.49 1.71 -1.55 -0.61 -5.35 -0.16 -0.47 119.36 108.45 1xtf n ILE 235 Ca -0.06 -2.46 -0.31 0.00 -0.27 0.00 0.00 62.75 59.64 1xtf n ILE 235 Cb 0.59 -0.06 0.06 0.00 -1.74 0.00 0.00 39.64 38.49 1xtf n ILE 235 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xtf s ALA 236 N -2.55 2.53 -0.12 -1.28 0.00 -0.64 -4.94 121.76 114.76 1xtf s ALA 236 Ca 0.33 0.23 -0.05 0.00 0.00 0.00 0.00 51.96 52.48 1xtf s ALA 236 Cb 0.32 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1xtf s ALA 236 CO -0.04 -1.35 0.04 0.42 0.00 0.00 0.00 175.76 174.83 1xtf s ILE 237 N -2.85 4.64 0.15 0.00 -1.09 -1.26 -4.64 121.20 116.15 1xtf s ILE 237 Ca 0.61 -0.11 -0.34 0.00 -2.23 0.00 0.00 60.65 58.57 1xtf s ILE 237 Cb -0.16 -3.01 -0.15 0.00 -1.58 0.00 0.00 42.46 37.56 1xtf s ILE 237 CO 0.52 0.56 1.46 -3.20 -1.23 0.00 0.00 174.94 173.04 1xtf n ASN 238 N 2.60 2.51 0.00 3.58 2.85 -1.26 -4.70 115.26 120.83 1xtf n ASN 238 Ca -0.18 1.11 0.04 0.00 -0.11 0.00 0.00 54.58 55.43 1xtf n ASN 238 Cb 0.53 -1.34 0.18 0.00 1.24 0.00 0.00 39.78 40.39 1xtf n ASN 238 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1xtf n PRO 239 N 2.86 0.03 0.06 1.20 -0.04 -1.26 -1.74 135.00 136.11 1xtf n PRO 239 Ca 0.17 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 1xtf n PRO 239 Cb 0.26 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.70 1xtf n PRO 239 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1xtf n ASN 240 N -1.45 0.44 -4.56 3.54 0.23 -1.26 -4.53 115.26 107.67 1xtf n ASN 240 Ca 0.02 0.56 -0.43 0.00 -0.53 0.00 0.00 54.58 54.20 1xtf n ASN 240 Cb 0.09 -0.67 -0.04 0.00 -2.08 0.00 0.00 39.78 37.08 1xtf n ASN 240 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1xtf s ARG 241 N -3.09 3.53 0.17 -3.83 1.81 -0.71 -5.01 118.95 111.82 1xtf s ARG 241 Ca 0.10 0.16 0.05 0.00 -1.72 0.00 0.00 55.73 54.32 1xtf s ARG 241 Cb 0.14 -3.93 -0.05 0.00 -0.45 0.00 0.00 34.95 30.66 1xtf s ARG 241 CO 0.51 -1.24 -0.09 0.14 -0.68 0.00 0.00 175.30 173.94 1xtf s VAL 242 N 3.79 1.21 0.01 3.52 -7.23 -1.26 -1.38 120.40 119.06 1xtf s VAL 242 Ca 0.37 -2.07 0.07 0.00 -1.81 0.00 0.00 61.98 58.53 1xtf s VAL 242 Cb -0.10 -1.96 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 1xtf s VAL 242 CO 0.26 -0.65 -0.20 -0.36 -0.31 0.00 0.00 175.10 173.84 1xtf s PHE 243 N -3.30 1.77 0.21 2.82 0.08 0.16 -4.85 117.98 114.86 1xtf s PHE 243 Ca 0.19 -0.35 -0.30 0.00 0.12 0.00 0.00 56.93 56.60 1xtf s PHE 243 Cb 0.03 -1.11 -0.08 0.00 -0.57 0.00 0.00 43.02 41.29 1xtf s PHE 243 CO 0.03 0.02 1.06 0.21 -0.10 0.00 0.00 175.22 176.43 1xtf s LYS 244 N -0.76 4.66 -0.37 0.44 2.47 -1.26 -0.61 119.74 124.32 1xtf s LYS 244 Ca 0.07 1.67 0.05 0.00 -1.56 0.00 0.00 55.97 56.21 1xtf s LYS 244 Cb -0.08 -3.26 0.45 0.00 -1.46 0.00 0.00 37.83 33.48 1xtf s LYS 244 CO 0.00 0.21 1.32 1.33 0.16 0.00 0.00 175.35 178.37 1xtf n VAL 245 N 1.95 2.69 0.00 4.02 0.24 0.23 -4.92 118.33 122.54 1xtf n VAL 245 Ca 0.01 -4.11 0.00 0.00 -2.04 0.00 0.00 64.34 58.20 1xtf n VAL 245 Cb 0.46 -1.16 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 1xtf n VAL 245 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1xtf n ASN 246 N -0.72 0.00 0.00 -1.34 4.05 -1.26 -5.01 115.26 110.98 1xtf n ASN 246 Ca 0.46 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.49 1xtf n ASN 246 Cb 0.88 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.89 1xtf n ASN 246 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1xtf n THR 247 N 0.00 0.00 0.00 -0.44 -2.24 -1.26 -5.06 114.28 105.28 1xtf n THR 247 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xtf n THR 247 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1xtf n THR 247 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xtf n ASN 248 N 0.00 0.00 -3.53 3.42 4.13 -1.26 -4.72 115.26 113.30 1xtf n ASN 248 Ca 0.00 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.19 1xtf n ASN 248 Cb 0.00 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 1xtf n ASN 248 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xtf s ALA 249 N 0.00 -1.86 0.25 5.41 0.00 -1.26 -5.12 121.76 119.19 1xtf s ALA 249 Ca 0.00 1.08 0.09 0.00 0.00 0.00 0.00 51.96 53.13 1xtf s ALA 249 Cb 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1xtf s ALA 249 CO 0.00 -0.69 0.02 0.71 0.00 0.00 0.00 175.76 175.80 1xtf s TYR 250 N -3.00 2.76 0.00 0.00 2.02 -1.26 -5.07 117.35 112.79 1xtf s TYR 250 Ca 0.06 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 1xtf s TYR 250 Cb -0.01 -1.24 0.00 0.00 -0.40 0.00 0.00 41.96 40.31 1xtf s TYR 250 CO -0.08 0.60 0.00 2.48 -1.57 0.00 0.00 175.55 176.98 1xtf n TYR 251 N -0.83 0.00 -0.13 2.71 0.18 -1.26 -4.56 117.16 113.27 1xtf n TYR 251 Ca -0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.71 1xtf n TYR 251 Cb 0.58 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.54 1xtf n TYR 251 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1xtf n GLU 252 N 0.00 0.00 -2.69 -3.48 4.71 -1.26 -3.43 120.64 114.49 1xtf n GLU 252 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.14 1xtf n GLU 252 Cb 0.00 -3.13 0.01 0.00 -1.01 0.00 0.00 31.44 27.31 1xtf n GLU 252 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1xtf n MET 253 N -2.00 -1.07 0.00 3.49 2.81 -1.26 -5.05 117.12 114.04 1xtf n MET 253 Ca 0.00 1.19 0.00 0.00 -1.81 0.00 0.00 57.70 57.08 1xtf n MET 253 Cb 0.00 -4.71 0.00 0.00 -0.71 0.00 0.00 33.22 27.80 1xtf n MET 253 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1xtf n SER 254 N -1.71 0.00 0.00 7.83 7.64 -1.22 -4.88 113.62 121.28 1xtf n SER 254 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1xtf n SER 254 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1xtf n SER 254 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xtf n GLY 255 N 0.00 0.00 2.60 0.23 0.00 -1.26 -3.13 105.19 103.64 1xtf n GLY 255 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1xtf n GLY 255 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xtf s LEU 256 N 0.00 0.71 -0.21 0.99 1.43 -1.26 -5.07 118.68 115.27 1xtf s LEU 256 Ca 0.00 -1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 52.04 1xtf s LEU 256 Cb 0.00 -0.39 0.06 0.00 0.03 0.00 0.00 46.19 45.89 1xtf s LEU 256 CO 0.00 -0.39 0.02 -1.83 0.23 0.00 0.00 176.35 174.38 1xtf s GLU 257 N 2.04 0.83 0.07 1.70 4.04 -1.18 0.74 118.70 126.94 1xtf s GLU 257 Ca 0.06 -0.56 -0.16 0.00 0.04 0.00 0.00 54.97 54.35 1xtf s GLU 257 Cb -0.16 -2.19 -0.06 0.00 0.02 0.00 0.00 34.13 31.73 1xtf s GLU 257 CO -0.23 -0.66 0.50 0.08 -1.84 0.00 0.00 175.26 173.11 1xtf s VAL 258 N 1.76 4.89 0.56 1.83 1.01 0.22 -4.74 120.40 125.94 1xtf s VAL 258 Ca -0.01 0.92 -0.20 0.00 0.00 0.00 0.00 61.98 62.70 1xtf s VAL 258 Cb -0.17 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1xtf s VAL 258 CO -0.09 0.45 1.19 -0.94 0.00 0.00 0.00 175.10 175.72 1xtf s SER 259 N -1.33 5.45 0.22 3.32 1.04 -1.26 -0.67 113.70 120.48 1xtf s SER 259 Ca 0.30 2.34 -0.08 0.00 0.48 0.00 0.00 55.95 58.99 1xtf s SER 259 Cb -0.17 -2.60 0.29 0.00 0.10 0.00 0.00 66.02 63.65 1xtf s SER 259 CO 0.17 -1.41 1.79 0.15 0.98 0.00 0.00 173.24 174.92 1xtf h PHE 260 N 1.14 0.63 -0.48 5.02 3.04 -1.55 -2.30 116.94 122.44 1xtf h PHE 260 Ca -0.50 0.03 0.09 0.00 3.98 0.00 0.00 57.97 61.57 1xtf h PHE 260 Cb 1.28 -0.18 -0.08 0.00 2.56 0.00 0.00 35.95 39.53 1xtf h PHE 260 CO 0.49 0.25 -0.02 0.93 -2.02 0.00 0.00 178.31 177.93 1xtf h GLU 261 N 0.61 0.09 -0.27 1.11 4.39 -1.84 -2.05 114.58 116.62 1xtf h GLU 261 Ca 0.33 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.96 1xtf h GLU 261 Cb 0.30 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1xtf h GLU 261 CO -0.24 0.06 -0.05 0.93 -1.16 0.00 0.00 179.01 178.55 1xtf h GLU 262 N 0.09 0.52 -0.91 2.33 4.39 -1.83 -1.75 114.58 117.42 1xtf h GLU 262 Ca 0.24 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 1xtf h GLU 262 Cb 0.36 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 1xtf h GLU 262 CO -0.42 0.71 0.56 -0.07 -1.16 0.00 0.00 179.01 178.63 1xtf h LEU 263 N 0.28 1.08 -0.44 1.33 3.38 -1.24 -0.25 115.31 119.44 1xtf h LEU 263 Ca 0.07 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 1xtf h LEU 263 Cb 0.51 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1xtf h LEU 263 CO 0.02 0.81 -0.59 -0.09 0.09 0.00 0.00 178.44 178.69 1xtf h ARG 264 N 1.24 0.61 -0.37 1.13 2.43 -1.34 -0.63 114.38 117.45 1xtf h ARG 264 Ca 0.33 -0.40 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 1xtf h ARG 264 Cb -0.08 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1xtf h ARG 264 CO -0.06 1.02 -0.07 1.15 -1.51 0.00 0.00 179.97 180.49 1xtf h THR 265 N 0.46 1.27 -0.19 0.20 2.02 -0.77 -3.12 112.91 112.79 1xtf h THR 265 Ca 0.00 -1.13 -0.20 0.00 0.77 0.00 0.00 66.41 65.85 1xtf h THR 265 Cb 1.15 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1xtf h THR 265 CO 0.11 0.38 -0.67 0.15 0.37 0.00 0.00 175.52 175.86 1xtf h PHE 266 N 0.51 0.95 0.00 3.16 3.57 -1.08 -1.07 116.94 122.98 1xtf h PHE 266 Ca 0.10 -0.38 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1xtf h PHE 266 Cb 0.58 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1xtf h PHE 266 CO 0.05 1.19 0.00 0.41 -2.23 0.00 0.00 178.31 177.73 1xtf n GLY 267 N 0.52 1.12 7.00 2.40 0.00 -0.25 -1.13 105.19 114.86 1xtf n GLY 267 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1xtf n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xtf n GLY 268 N 0.00 1.20 0.25 -0.02 0.00 -1.26 -2.09 105.19 103.27 1xtf n GLY 268 Ca 0.00 -0.56 0.14 0.00 0.00 0.00 0.00 46.02 45.60 1xtf n GLY 268 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xtf h HIS 269 N 0.00 0.00 0.00 1.61 3.86 -1.93 0.03 115.15 118.72 1xtf h HIS 269 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xtf h HIS 269 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1xtf h HIS 269 CO 0.00 0.00 -0.44 -0.25 0.86 0.00 0.00 177.93 178.10 1xtf n ASP 270 N -2.57 0.46 -0.33 2.45 8.00 -0.89 -3.72 116.55 119.96 1xtf n ASP 270 Ca -0.02 -0.07 0.06 0.00 0.71 0.00 0.00 54.79 55.47 1xtf n ASP 270 Cb 0.22 0.12 0.27 0.00 -0.02 0.00 0.00 41.12 41.70 1xtf n ASP 270 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xtf n ALA 271 N -1.56 2.51 1.12 2.24 0.00 -0.00 -3.45 120.51 121.38 1xtf n ALA 271 Ca 0.05 -0.34 0.12 0.00 0.00 0.00 0.00 53.44 53.27 1xtf n ALA 271 Cb 0.35 -1.08 0.21 0.00 0.00 0.00 0.00 19.45 18.93 1xtf n ALA 271 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xtf n LYS 272 N -0.05 0.76 -0.05 0.00 4.76 -1.24 -3.73 118.16 118.61 1xtf n LYS 272 Ca 0.11 -0.53 0.12 0.00 -2.87 0.00 0.00 58.31 55.14 1xtf n LYS 272 Cb 0.19 -1.49 0.37 0.00 -1.84 0.00 0.00 35.03 32.25 1xtf n LYS 272 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1xtf n PHE 273 N -0.66 0.13 -3.18 2.13 3.72 -1.22 -4.85 117.46 113.52 1xtf n PHE 273 Ca 0.10 -0.06 -0.40 0.00 -0.05 0.00 0.00 57.45 57.03 1xtf n PHE 273 Cb 0.38 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.85 1xtf n PHE 273 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1xtf s ILE 274 N -1.87 5.03 -0.23 4.37 1.01 -1.24 -4.86 121.20 123.41 1xtf s ILE 274 Ca 0.35 0.97 -0.39 0.00 0.00 0.00 0.00 60.65 61.57 1xtf s ILE 274 Cb 0.20 -3.88 -0.15 0.00 0.01 0.00 0.00 42.46 38.64 1xtf s ILE 274 CO 0.30 0.05 1.74 -0.67 0.00 0.00 0.00 174.94 176.36 1xtf n ASP 275 N 5.63 2.50 -0.07 3.58 -0.08 -1.26 -4.87 116.55 121.97 1xtf n ASP 275 Ca -0.03 1.06 -0.09 0.00 -1.51 0.00 0.00 54.79 54.22 1xtf n ASP 275 Cb 0.49 -1.18 -0.02 0.00 2.34 0.00 0.00 41.12 42.75 1xtf n ASP 275 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1xtf h SER 276 N 7.31 0.29 0.63 1.67 0.02 -1.95 -1.57 113.55 119.95 1xtf h SER 276 Ca -0.47 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.45 1xtf h SER 276 Cb 1.31 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 1xtf h SER 276 CO 0.95 0.21 -0.39 -0.07 -1.14 0.00 0.00 176.83 176.39 1xtf h LEU 277 N 0.35 -0.97 -1.21 5.07 3.38 -1.99 0.20 115.31 120.14 1xtf h LEU 277 Ca 0.10 0.05 0.25 0.00 0.09 0.00 0.00 57.88 58.37 1xtf h LEU 277 Cb -0.03 0.28 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 1xtf h LEU 277 CO -0.03 -0.60 0.64 1.56 0.09 0.00 0.00 178.44 180.09 1xtf h GLN 278 N -0.96 0.49 -0.56 1.13 4.20 -1.95 0.87 115.11 118.32 1xtf h GLN 278 Ca -0.08 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 1xtf h GLN 278 Cb 0.78 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1xtf h GLN 278 CO 0.08 0.32 0.15 1.49 -0.67 0.00 0.00 178.83 180.21 1xtf h GLU 279 N 0.50 0.89 -0.62 1.46 4.81 -0.38 -2.20 114.58 119.05 1xtf h GLU 279 Ca 0.60 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.54 1xtf h GLU 279 Cb 1.32 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1xtf h GLU 279 CO -0.35 0.82 0.05 -0.97 -0.73 0.00 0.00 179.01 177.82 1xtf h ASN 280 N 0.79 1.02 -0.58 1.04 -0.00 0.37 -2.73 115.58 115.49 1xtf h ASN 280 Ca 0.18 -0.29 -0.00 0.00 -0.00 0.00 0.00 56.30 56.19 1xtf h ASN 280 Cb 0.32 -0.27 -0.03 0.00 -0.00 0.00 0.00 38.32 38.34 1xtf h ASN 280 CO -0.00 1.05 0.36 -0.33 -0.00 0.00 0.00 177.43 178.51 1xtf h GLU 281 N 0.96 0.79 -0.71 6.67 5.08 -0.06 -2.64 114.58 124.67 1xtf h GLU 281 Ca 0.18 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1xtf h GLU 281 Cb 0.50 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1xtf h GLU 281 CO 0.02 0.56 0.34 0.74 -1.00 0.00 0.00 179.01 179.67 1xtf h PHE 282 N 0.79 1.03 -0.62 4.33 0.04 -1.25 0.70 116.94 121.96 1xtf h PHE 282 Ca 0.21 -0.05 0.02 0.00 2.80 0.00 0.00 57.97 60.95 1xtf h PHE 282 Cb -0.03 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.77 1xtf h PHE 282 CO -0.02 0.77 0.41 -0.09 -0.60 0.00 0.00 178.31 178.77 1xtf h ARG 283 N 1.00 0.74 -0.06 1.51 2.43 -1.26 0.21 114.38 118.95 1xtf h ARG 283 Ca 0.24 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 1xtf h ARG 283 Cb 0.13 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1xtf h ARG 283 CO -0.03 0.49 -0.41 1.25 -1.51 0.00 0.00 179.97 179.76 1xtf h LEU 284 N 0.76 0.46 -0.41 3.80 7.12 -1.04 -0.95 115.31 125.05 1xtf h LEU 284 Ca 0.24 -0.68 0.03 0.00 0.13 0.00 0.00 57.88 57.60 1xtf h LEU 284 Cb 0.02 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 39.99 1xtf h LEU 284 CO -0.06 1.06 0.22 0.22 -0.13 0.00 0.00 178.44 179.76 1xtf h TYR 285 N -0.11 0.41 -0.06 1.25 3.20 -0.43 -1.75 116.97 119.49 1xtf h TYR 285 Ca -0.03 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.70 1xtf h TYR 285 Cb 1.07 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 1xtf h TYR 285 CO 0.13 0.23 -0.62 1.88 -1.64 0.00 0.00 178.16 178.14 1xtf h TYR 286 N 0.45 0.28 -0.86 -3.82 0.05 -0.57 -1.91 116.97 110.59 1xtf h TYR 286 Ca 0.17 -0.11 0.07 0.00 0.05 0.00 0.00 58.73 58.91 1xtf h TYR 286 Cb 0.05 -0.05 -0.06 0.00 1.01 0.00 0.00 36.73 37.68 1xtf h TYR 286 CO -0.09 0.78 0.56 -0.92 -1.05 0.00 0.00 178.16 177.44 1xtf h TYR 287 N 0.16 0.97 -0.32 4.88 3.20 -0.84 -0.75 116.97 124.26 1xtf h TYR 287 Ca -0.01 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.73 1xtf h TYR 287 Cb 1.13 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 1xtf h TYR 287 CO 0.02 0.50 -0.40 -0.91 -1.64 0.00 0.00 178.16 175.74 1xtf h ASN 288 N 0.95 0.91 -0.86 -2.11 -0.26 -0.86 -2.32 115.58 111.03 1xtf h ASN 288 Ca 0.37 -0.49 0.06 0.00 -0.56 0.00 0.00 56.30 55.68 1xtf h ASN 288 Cb 0.23 -0.26 -0.05 0.00 -1.06 0.00 0.00 38.32 37.18 1xtf h ASN 288 CO -0.14 1.22 0.56 0.11 -1.06 0.00 0.00 177.43 178.13 1xtf h LYS 289 N 0.62 0.97 -0.05 0.81 1.79 -0.51 0.27 116.57 120.47 1xtf h LYS 289 Ca 0.04 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.37 1xtf h LYS 289 Cb 0.99 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 1xtf h LYS 289 CO 0.10 0.64 -0.35 0.74 -1.08 0.00 0.00 179.45 179.50 1xtf h PHE 290 N 1.00 0.11 -0.20 -1.35 -1.00 -0.93 -1.94 116.94 112.62 1xtf h PHE 290 Ca 0.36 -0.02 -0.17 0.00 2.81 0.00 0.00 57.97 60.95 1xtf h PHE 290 Cb 0.16 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 1xtf h PHE 290 CO -0.00 0.44 -0.57 0.87 -1.61 0.00 0.00 178.31 177.43 1xtf h LYS 291 N 0.09 0.63 -0.63 1.51 1.57 -0.48 -1.19 116.57 118.07 1xtf h LYS 291 Ca 0.01 -0.41 -0.06 0.00 -1.87 0.00 0.00 60.65 58.31 1xtf h LYS 291 Cb 0.66 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 1xtf h LYS 291 CO 0.05 1.03 0.15 -0.44 -0.57 0.00 0.00 179.45 179.66 1xtf h ASP 292 N 0.48 0.96 -0.53 0.86 3.32 -0.67 -1.73 116.42 119.12 1xtf h ASP 292 Ca 0.00 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 1xtf h ASP 292 Cb 1.14 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 1xtf h ASP 292 CO 0.11 0.95 0.25 0.40 -1.72 0.00 0.00 179.24 179.23 1xtf h ILE 293 N 0.93 1.20 -0.99 0.35 2.04 -1.14 -0.57 117.51 119.34 1xtf h ILE 293 Ca 0.20 -0.58 0.08 0.00 1.00 0.00 0.00 64.86 65.56 1xtf h ILE 293 Cb 0.37 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 1xtf h ILE 293 CO 0.00 0.23 0.63 0.00 0.00 0.00 0.00 178.15 179.01 1xtf h ALA 294 N 1.09 1.40 -0.42 1.87 0.00 -0.79 -0.54 119.26 121.86 1xtf h ALA 294 Ca 0.18 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1xtf h ALA 294 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1xtf h ALA 294 CO -0.02 0.37 -0.31 0.66 0.00 0.00 0.00 179.25 179.94 1xtf h SER 295 N 1.11 0.99 -0.45 0.00 4.64 -0.74 -0.64 113.55 118.46 1xtf h SER 295 Ca 0.44 -0.42 0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1xtf h SER 295 Cb 0.25 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 1xtf h SER 295 CO -0.20 1.22 0.26 0.74 -0.87 0.00 0.00 176.83 177.98 1xtf h THR 296 N 0.79 1.03 -0.76 2.95 2.02 -0.38 0.15 112.91 118.71 1xtf h THR 296 Ca 0.08 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 1xtf h THR 296 Cb 0.90 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1xtf h THR 296 CO 0.08 0.09 0.31 -0.07 0.37 0.00 0.00 175.52 176.30 1xtf h LEU 297 N 0.52 1.05 -1.16 2.58 3.38 -0.93 -1.98 115.31 118.77 1xtf h LEU 297 Ca 0.18 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1xtf h LEU 297 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1xtf h LEU 297 CO -0.09 0.94 0.10 0.78 0.09 0.00 0.00 178.44 180.25 1xtf h ASN 298 N 1.10 0.64 -0.13 -0.43 -0.26 -0.13 -2.65 115.58 113.73 1xtf h ASN 298 Ca 0.25 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1xtf h ASN 298 Cb 0.21 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 1xtf h ASN 298 CO -0.02 0.64 0.00 0.29 -1.06 0.00 0.00 177.43 177.28 1xtf n LYS 299 N -4.30 1.77 -2.21 0.81 5.02 0.44 -4.93 118.16 114.76 1xtf n LYS 299 Ca 0.03 -1.15 -0.42 0.00 -2.02 0.00 0.00 58.31 54.75 1xtf n LYS 299 Cb 0.22 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 1xtf n LYS 299 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xtf s ALA 300 N -1.85 3.57 -0.05 7.82 0.00 -0.78 -4.67 121.76 125.81 1xtf s ALA 300 Ca 0.34 0.95 0.08 0.00 0.00 0.00 0.00 51.96 53.33 1xtf s ALA 300 Cb 0.19 -3.58 -0.12 0.00 0.00 0.00 0.00 23.12 19.61 1xtf s ALA 300 CO 0.29 -0.82 0.11 1.63 0.00 0.00 0.00 175.76 176.97 1xtf n LYS 301 N 4.96 1.44 -4.24 0.00 4.76 0.12 -5.01 118.16 120.18 1xtf n LYS 301 Ca 0.13 -0.04 -0.16 0.00 -2.87 0.00 0.00 58.31 55.36 1xtf n LYS 301 Cb 0.43 -1.21 -0.09 0.00 -1.84 0.00 0.00 35.03 32.32 1xtf n LYS 301 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1xtf s SER 302 N -3.52 1.01 -0.08 4.39 1.04 -0.76 -5.04 113.70 110.74 1xtf s SER 302 Ca -0.04 -1.59 -0.13 0.00 0.48 0.00 0.00 55.95 54.67 1xtf s SER 302 Cb 0.04 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1xtf s SER 302 CO 0.36 -0.97 0.33 -0.51 0.98 0.00 0.00 173.24 173.42 1xtf s ILE 303 N -3.74 0.02 -0.12 -1.02 2.07 -1.26 -1.78 121.20 115.37 1xtf s ILE 303 Ca 0.40 -0.21 -0.07 0.00 -1.41 0.00 0.00 60.65 59.36 1xtf s ILE 303 Cb 0.04 -0.54 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 1xtf s ILE 303 CO 0.21 -0.11 0.13 -0.69 -1.91 0.00 0.00 174.94 172.57 1xtf s VAL 304 N -0.47 5.46 0.00 4.00 1.01 -0.53 -4.96 120.40 124.91 1xtf s VAL 304 Ca -0.06 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1xtf s VAL 304 Cb -0.04 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1xtf s VAL 304 CO 0.02 0.61 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1xtf n GLY 305 N 1.97 3.32 0.09 4.51 0.00 -1.26 -4.71 105.19 109.10 1xtf n GLY 305 Ca -0.20 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 43.85 1xtf n GLY 305 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xtf n THR 306 N -1.46 1.04 -0.05 2.61 -2.24 -1.26 -4.78 114.28 108.15 1xtf n THR 306 Ca 0.00 -0.45 -0.18 0.00 -2.27 0.00 0.00 64.05 61.15 1xtf n THR 306 Cb 0.00 -1.03 -0.13 0.00 -2.10 0.00 0.00 70.33 67.07 1xtf n THR 306 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1xtf h THR 307 N 0.00 1.39 -3.51 4.28 2.02 -2.03 -3.47 112.91 111.60 1xtf h THR 307 Ca -0.41 -2.34 -0.53 0.00 0.77 0.00 0.00 66.41 63.91 1xtf h THR 307 Cb 1.69 2.94 -0.02 0.00 -1.74 0.00 0.00 68.15 71.02 1xtf h THR 307 CO -0.04 0.57 0.35 0.00 0.37 0.00 0.00 175.52 176.76 1xtf s ALA 308 N -2.33 3.22 0.30 6.16 0.00 -1.26 -5.06 121.76 122.79 1xtf s ALA 308 Ca -0.21 0.55 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 1xtf s ALA 308 Cb 0.01 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 1xtf s ALA 308 CO 0.70 -0.09 0.56 -1.54 0.00 0.00 0.00 175.76 175.40 1xtf s SER 309 N 0.32 6.43 0.11 0.00 1.04 -1.26 -4.86 113.70 115.46 1xtf s SER 309 Ca 0.48 0.70 -0.30 0.00 0.48 0.00 0.00 55.95 57.31 1xtf s SER 309 Cb -0.22 -2.14 -0.10 0.00 0.10 0.00 0.00 66.02 63.66 1xtf s SER 309 CO 0.29 -0.22 1.61 0.25 0.98 0.00 0.00 173.24 176.15 1xtf h LEU 310 N 1.55 -1.00 -1.05 2.42 5.85 -1.95 -0.86 115.31 120.27 1xtf h LEU 310 Ca -0.48 0.11 0.19 0.00 0.84 0.00 0.00 57.88 58.53 1xtf h LEU 310 Cb 1.19 0.36 -0.10 0.00 0.37 0.00 0.00 40.66 42.48 1xtf h LEU 310 CO 0.66 -0.45 0.61 -0.61 -0.34 0.00 0.00 178.44 178.31 1xtf h GLN 311 N -0.63 0.73 0.24 1.25 4.15 -1.98 0.21 115.11 119.08 1xtf h GLN 311 Ca 0.01 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1xtf h GLN 311 Cb 0.62 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 1xtf h GLN 311 CO -0.16 0.48 -0.15 -0.92 -1.93 0.00 0.00 178.83 176.15 1xtf h TYR 312 N 0.75 -0.40 -0.70 3.99 3.20 -1.66 -0.82 116.97 121.35 1xtf h TYR 312 Ca 0.56 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.39 1xtf h TYR 312 Cb 0.89 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.28 1xtf h TYR 312 CO -0.00 -0.24 0.26 0.52 -1.64 0.00 0.00 178.16 177.06 1xtf h MET 313 N -0.38 1.05 -0.83 1.82 2.86 0.14 -1.05 114.93 118.54 1xtf h MET 313 Ca -0.02 -0.20 0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1xtf h MET 313 Cb 0.32 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 1xtf h MET 313 CO 0.02 0.88 0.55 0.87 1.06 0.00 0.00 176.91 180.29 1xtf h LYS 314 N 1.00 1.01 -0.15 1.72 1.57 -0.49 -0.28 116.57 120.95 1xtf h LYS 314 Ca 0.23 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.82 1xtf h LYS 314 Cb 0.23 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1xtf h LYS 314 CO -0.02 0.67 -0.45 -0.97 -0.57 0.00 0.00 179.45 178.11 1xtf h ASN 315 N 1.04 0.39 -0.22 0.86 -0.73 -0.35 0.12 115.58 116.70 1xtf h ASN 315 Ca 0.33 -0.18 0.02 0.00 1.87 0.00 0.00 56.30 58.34 1xtf h ASN 315 Cb 0.01 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.47 1xtf h ASN 315 CO -0.09 0.79 0.08 0.58 -0.37 0.00 0.00 177.43 178.42 1xtf h VAL 316 N 0.30 0.95 0.00 2.57 2.07 0.16 -1.64 116.25 120.66 1xtf h VAL 316 Ca 0.02 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 67.35 1xtf h VAL 316 Cb 0.91 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1xtf h VAL 316 CO 0.08 0.03 -0.59 -0.26 0.02 0.00 0.00 177.57 176.85 1xtf h PHE 317 N 0.18 0.00 -0.86 1.57 0.04 -1.03 -1.68 116.94 115.17 1xtf h PHE 317 Ca 0.09 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 1xtf h PHE 317 Cb 0.06 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 1xtf h PHE 317 CO -0.12 0.59 0.44 -0.22 -0.60 0.00 0.00 178.31 178.41 1xtf h LYS 318 N 0.00 1.22 -0.14 1.51 3.64 -0.31 -0.83 116.57 121.66 1xtf h LYS 318 Ca -0.01 -0.16 -0.18 0.00 -1.27 0.00 0.00 60.65 59.03 1xtf h LYS 318 Cb 1.12 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1xtf h LYS 318 CO 0.08 0.91 -0.67 0.93 -2.27 0.00 0.00 179.45 178.43 1xtf h GLU 319 N 1.21 0.54 0.67 1.90 5.08 -1.03 -1.45 114.58 121.50 1xtf h GLU 319 Ca 0.30 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1xtf h GLU 319 Cb 0.08 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1xtf h GLU 319 CO -0.04 1.03 -0.32 -0.22 -1.00 0.00 0.00 179.01 178.45 1xtf h LYS 320 N 0.39 -0.87 -0.27 2.33 3.64 -0.78 -3.12 116.57 117.90 1xtf h LYS 320 Ca -0.02 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1xtf h LYS 320 Cb 1.25 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1xtf h LYS 320 CO 0.12 -0.55 0.00 0.66 -2.27 0.00 0.00 179.45 177.42 1xtf n TYR 321 N -5.43 0.35 -3.99 1.91 4.01 -0.37 -4.94 117.16 108.70 1xtf n TYR 321 Ca -0.13 -0.17 -0.26 0.00 -0.16 0.00 0.00 57.90 57.18 1xtf n TYR 321 Cb 0.38 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.37 1xtf n TYR 321 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1xtf n LEU 322 N 0.23 -2.13 -4.85 7.72 4.77 -0.63 -4.83 117.00 117.29 1xtf n LEU 322 Ca 0.08 -1.02 -0.31 0.00 -0.03 0.00 0.00 56.01 54.73 1xtf n LEU 322 Cb 0.22 -2.18 0.01 0.00 -2.33 0.00 0.00 43.42 39.14 1xtf n LEU 322 CO 0.06 0.43 0.71 -0.76 -1.33 0.00 0.00 177.39 176.50 1xtf s LEU 323 N -7.01 3.29 -0.02 2.23 1.43 -0.71 -4.08 118.68 113.81 1xtf s LEU 323 Ca 0.03 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.53 1xtf s LEU 323 Cb -0.02 -4.49 -0.05 0.00 0.03 0.00 0.00 46.19 41.67 1xtf s LEU 323 CO 0.90 -0.96 0.32 -0.44 0.23 0.00 0.00 176.35 176.40 1xtf s SER 324 N -3.84 6.64 -0.48 2.29 0.01 0.54 -4.86 113.70 114.00 1xtf s SER 324 Ca 0.57 0.76 -0.03 0.00 1.31 0.00 0.00 55.95 58.56 1xtf s SER 324 Cb -0.12 -2.17 0.13 0.00 0.21 0.00 0.00 66.02 64.07 1xtf s SER 324 CO 0.50 0.31 0.28 -0.70 0.41 0.00 0.00 173.24 174.04 1xtf s GLU 325 N -1.29 2.19 1.21 12.44 2.12 -1.26 0.73 118.70 134.84 1xtf s GLU 325 Ca 0.24 -2.05 -0.18 0.00 0.36 0.00 0.00 54.97 53.34 1xtf s GLU 325 Cb -0.15 -3.64 0.26 0.00 0.26 0.00 0.00 34.13 30.87 1xtf s GLU 325 CO 0.12 -1.11 0.57 -0.40 -0.54 0.00 0.00 175.26 173.90 1xtf n ASP 326 N 4.24 -3.34 0.33 -1.70 5.75 -0.24 -4.69 116.55 116.89 1xtf n ASP 326 Ca 0.01 -0.55 0.20 0.00 -0.01 0.00 0.00 54.79 54.44 1xtf n ASP 326 Cb 0.40 -0.91 1.07 0.00 -1.03 0.00 0.00 41.12 40.66 1xtf n ASP 326 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1xtf h THR 327 N -3.04 0.07 -0.01 2.12 2.02 -1.99 -1.69 112.91 110.40 1xtf h THR 327 Ca -0.35 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1xtf h THR 327 Cb 1.06 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1xtf h THR 327 CO 0.23 0.00 -0.47 -1.54 0.37 0.00 0.00 175.52 174.10 1xtf n SER 328 N -3.13 1.86 0.00 4.18 3.41 -1.26 -4.97 113.62 113.70 1xtf n SER 328 Ca -0.02 -1.43 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 1xtf n SER 328 Cb 0.17 0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 1xtf n SER 328 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xtf n GLY 329 N 1.36 0.40 3.72 5.00 0.00 -0.63 -5.06 105.19 109.97 1xtf n GLY 329 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1xtf n GLY 329 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xtf s LYS 330 N -0.96 4.58 0.26 1.61 2.20 -1.26 -4.76 119.74 121.41 1xtf s LYS 330 Ca 0.00 1.52 -0.23 0.00 -0.36 0.00 0.00 55.97 56.90 1xtf s LYS 330 Cb 0.00 -3.40 -0.09 0.00 -1.51 0.00 0.00 37.83 32.83 1xtf s LYS 330 CO 0.00 0.01 0.83 -0.06 -0.36 0.00 0.00 175.35 175.76 1xtf s PHE 331 N 0.58 3.71 0.04 4.03 0.08 -1.26 -1.07 117.98 124.09 1xtf s PHE 331 Ca 0.51 1.60 -0.04 0.00 0.12 0.00 0.00 56.93 59.12 1xtf s PHE 331 Cb -0.24 -2.77 -0.02 0.00 -0.57 0.00 0.00 43.02 39.42 1xtf s PHE 331 CO 0.29 0.31 0.06 0.45 -0.10 0.00 0.00 175.22 176.24 1xtf s SER 332 N -1.56 0.22 -0.47 1.36 0.15 0.22 -4.78 113.70 108.85 1xtf s SER 332 Ca 0.45 -0.57 -0.28 0.00 0.70 0.00 0.00 55.95 56.24 1xtf s SER 332 Cb -0.19 0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.36 1xtf s SER 332 CO 0.23 -0.48 1.10 -0.69 1.20 0.00 0.00 173.24 174.60 1xtf s VAL 333 N -2.54 4.27 -0.53 4.45 1.01 -1.26 0.20 120.40 126.00 1xtf s VAL 333 Ca -0.06 1.17 -0.27 0.00 0.00 0.00 0.00 61.98 62.82 1xtf s VAL 333 Cb -0.02 -4.57 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 1xtf s VAL 333 CO -0.04 -0.95 1.82 -0.62 0.00 0.00 0.00 175.10 175.30 1xtf s ASP 334 N 2.38 5.48 0.37 3.32 -1.08 -1.26 -4.86 116.67 121.02 1xtf s ASP 334 Ca 0.46 0.60 0.09 0.00 -0.52 0.00 0.00 52.55 53.17 1xtf s ASP 334 Cb -0.08 -2.53 0.82 0.00 -1.46 0.00 0.00 42.92 39.67 1xtf s ASP 334 CO 0.30 -2.16 1.91 0.11 0.52 0.00 0.00 175.17 175.85 1xtf h LYS 335 N 14.23 0.66 0.26 4.34 1.57 -1.93 0.65 116.57 136.35 1xtf h LYS 335 Ca -0.28 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1xtf h LYS 335 Cb 1.16 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1xtf h LYS 335 CO 1.17 0.44 -0.13 1.25 -0.57 0.00 0.00 179.45 181.61 1xtf h LEU 336 N 0.68 -0.30 -0.92 2.94 7.12 -1.99 -1.77 115.31 121.08 1xtf h LEU 336 Ca 0.38 -0.17 -0.08 0.00 0.13 0.00 0.00 57.88 58.14 1xtf h LEU 336 Cb 0.55 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.74 1xtf h LEU 336 CO -0.15 0.01 -0.10 0.11 -0.13 0.00 0.00 178.44 178.18 1xtf h LYS 337 N -0.63 0.68 0.78 1.25 1.57 -1.75 -3.00 116.57 115.48 1xtf h LYS 337 Ca -0.04 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 1xtf h LYS 337 Cb 0.45 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.70 1xtf h LYS 337 CO 0.06 0.77 -0.37 0.35 -0.57 0.00 0.00 179.45 179.68 1xtf h PHE 338 N 0.63 -0.97 -0.79 -1.35 3.57 0.34 -1.91 116.94 116.46 1xtf h PHE 338 Ca 0.11 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.77 1xtf h PHE 338 Cb 0.54 0.32 -0.14 0.00 2.79 0.00 0.00 35.95 39.46 1xtf h PHE 338 CO 0.02 -0.59 0.02 -0.44 -2.23 0.00 0.00 178.31 175.10 1xtf h ASP 339 N -1.13 -0.34 -0.30 0.41 3.32 -1.33 0.11 116.42 117.17 1xtf h ASP 339 Ca -0.11 0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1xtf h ASP 339 Cb 0.82 0.35 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1xtf h ASP 339 CO 0.18 -0.19 0.16 0.50 -1.72 0.00 0.00 179.24 178.17 1xtf h LYS 340 N 0.10 0.41 -0.12 3.56 3.64 -1.47 -0.24 116.57 122.46 1xtf h LYS 340 Ca 0.44 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1xtf h LYS 340 Cb 0.79 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1xtf h LYS 340 CO -0.69 0.35 0.07 1.25 -2.27 0.00 0.00 179.45 178.16 1xtf h LEU 341 N 0.36 0.14 0.02 5.20 5.85 -0.23 0.08 115.31 126.74 1xtf h LEU 341 Ca 0.10 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1xtf h LEU 341 Cb 0.06 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1xtf h LEU 341 CO -0.02 0.15 -0.05 0.22 -0.34 0.00 0.00 178.44 178.40 1xtf h TYR 342 N 0.12 -0.13 -0.21 1.25 3.20 -0.79 -0.30 116.97 120.12 1xtf h TYR 342 Ca 0.04 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.95 1xtf h TYR 342 Cb 0.04 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 1xtf h TYR 342 CO -0.05 -0.08 -0.02 -0.22 -1.64 0.00 0.00 178.16 176.15 1xtf h LYS 343 N -0.10 0.04 -0.27 1.82 3.64 -0.87 0.14 116.57 120.97 1xtf h LYS 343 Ca 0.02 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1xtf h LYS 343 Cb 0.12 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 1xtf h LYS 343 CO -0.04 0.03 -0.03 1.98 -2.27 0.00 0.00 179.45 179.11 1xtf h MET 344 N 0.04 0.04 -0.34 1.90 4.05 -0.74 0.42 114.93 120.30 1xtf h MET 344 Ca 0.10 -0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.43 1xtf h MET 344 Cb 0.13 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 1xtf h MET 344 CO -0.18 0.03 -0.15 -0.07 0.23 0.00 0.00 176.91 176.77 1xtf h LEU 345 N 0.04 0.60 0.00 3.39 3.38 -0.52 -1.27 115.31 120.93 1xtf h LEU 345 Ca 0.13 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xtf h LEU 345 Cb 0.19 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1xtf h LEU 345 CO -0.25 0.77 -1.91 0.35 0.09 0.00 0.00 178.44 177.49 1xtf n THR 346 N -4.17 0.00 0.00 0.22 -2.24 0.43 -4.54 114.28 103.98 1xtf n THR 346 Ca 0.01 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1xtf n THR 346 Cb 0.36 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1xtf n THR 346 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1xtf n GLU 347 N -2.19 2.81 -0.03 -0.78 0.28 0.14 -4.81 120.64 116.06 1xtf n GLU 347 Ca -0.04 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.76 1xtf n GLU 347 Cb 0.53 -0.31 -0.13 0.00 1.43 0.00 0.00 31.44 32.95 1xtf n GLU 347 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1xtf n ILE 348 N -0.38 1.71 -2.72 3.84 5.41 -1.02 -4.63 119.36 121.57 1xtf n ILE 348 Ca 0.00 -0.64 -0.42 0.00 1.00 0.00 0.00 62.75 62.68 1xtf n ILE 348 Cb 0.00 -1.63 -0.02 0.00 -0.71 0.00 0.00 39.64 37.28 1xtf n ILE 348 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1xtf s TYR 349 N -2.55 2.81 0.09 1.39 2.02 -0.50 -4.76 117.35 115.86 1xtf s TYR 349 Ca -0.25 -1.16 0.02 0.00 -0.37 0.00 0.00 57.07 55.31 1xtf s TYR 349 Cb 0.07 -4.53 -0.04 0.00 -0.40 0.00 0.00 41.96 37.06 1xtf s TYR 349 CO 0.73 -1.74 -0.07 0.95 -1.57 0.00 0.00 175.55 173.85 1xtf s THR 350 N 3.91 0.67 0.20 -0.71 -4.23 -1.26 -4.80 115.64 109.42 1xtf s THR 350 Ca 0.41 -1.76 -0.11 0.00 -1.18 0.00 0.00 61.69 59.06 1xtf s THR 350 Cb -0.02 -1.47 0.12 0.00 1.34 0.00 0.00 72.50 72.47 1xtf s THR 350 CO -0.08 -0.77 1.80 -0.08 -0.54 0.00 0.00 174.62 174.96 1xtf h GLU 351 N 3.28 0.61 -0.55 3.99 4.81 -1.17 -1.35 114.58 124.20 1xtf h GLU 351 Ca -0.35 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 58.91 1xtf h GLU 351 Cb 1.17 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.35 1xtf h GLU 351 CO 0.60 0.41 0.22 0.22 -0.73 0.00 0.00 179.01 179.72 1xtf h ASP 352 N 0.63 0.24 -0.29 1.04 3.58 -1.38 -0.11 116.42 120.13 1xtf h ASP 352 Ca 0.26 0.06 -0.11 0.00 0.42 0.00 0.00 57.03 57.67 1xtf h ASP 352 Cb 0.14 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 1xtf h ASP 352 CO -0.16 0.16 -0.20 0.78 -2.88 0.00 0.00 179.24 176.94 1xtf h ASN 353 N 0.41 0.77 -0.63 2.28 2.35 -1.69 -2.85 115.58 116.22 1xtf h ASN 353 Ca 0.27 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1xtf h ASN 353 Cb 0.29 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1xtf h ASN 353 CO -0.25 0.95 0.17 -0.26 -1.65 0.00 0.00 177.43 176.38 1xtf h PHE 354 N 0.67 1.07 -0.76 1.19 0.04 -0.51 -1.88 116.94 116.75 1xtf h PHE 354 Ca 0.10 -0.11 0.05 0.00 2.80 0.00 0.00 57.97 60.80 1xtf h PHE 354 Cb 0.70 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 1xtf h PHE 354 CO 0.04 0.87 0.50 0.28 -0.60 0.00 0.00 178.31 179.40 1xtf h VAL 355 N 0.98 1.08 0.14 -0.55 2.07 -0.87 0.18 116.25 119.29 1xtf h VAL 355 Ca 0.21 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1xtf h VAL 355 Cb 0.34 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1xtf h VAL 355 CO -0.00 0.16 -0.07 0.11 0.02 0.00 0.00 177.57 177.79 1xtf h LYS 356 N 0.88 -0.18 -1.00 1.57 1.57 -1.13 -1.81 116.57 116.47 1xtf h LYS 356 Ca 0.31 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.15 1xtf h LYS 356 Cb 0.12 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 1xtf h LYS 356 CO -0.10 0.15 0.65 0.74 -0.57 0.00 0.00 179.45 180.33 1xtf h PHE 357 N -0.52 1.22 0.00 -1.35 -1.00 -0.99 -1.92 116.94 112.38 1xtf h PHE 357 Ca -0.02 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1xtf h PHE 357 Cb 0.41 -0.40 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1xtf h PHE 357 CO 0.03 0.68 0.00 0.74 -1.61 0.00 0.00 178.31 178.15 1xtf h PHE 358 N 1.23 0.00 -5.80 -0.55 0.04 -0.94 -3.47 116.94 107.45 1xtf h PHE 358 Ca 0.41 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.82 1xtf h PHE 358 Cb 0.07 0.00 0.13 0.00 2.20 0.00 0.00 35.95 38.35 1xtf h PHE 358 CO -0.00 0.00 -0.76 1.63 -0.60 0.00 0.00 178.31 178.58 1xtf n LYS 359 N -2.93 -6.55 -4.45 1.51 4.01 -0.69 -4.98 118.16 104.08 1xtf n LYS 359 Ca 0.02 0.79 -0.26 0.00 -0.51 0.00 0.00 58.31 58.36 1xtf n LYS 359 Cb 0.38 -5.73 -0.10 0.00 -0.51 0.00 0.00 35.03 29.07 1xtf n LYS 359 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1xtf s VAL 360 N -3.40 2.38 -0.03 -0.18 -7.23 -1.19 -5.02 120.40 105.72 1xtf s VAL 360 Ca 0.15 -2.08 -0.18 0.00 -1.81 0.00 0.00 61.98 58.07 1xtf s VAL 360 Cb -0.07 -2.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 1xtf s VAL 360 CO 0.75 -0.18 0.50 -0.22 -0.31 0.00 0.00 175.10 175.64 1xtf s LEU 361 N -3.67 4.41 0.09 1.32 2.96 -1.26 -4.90 118.68 117.63 1xtf s LEU 361 Ca 0.34 1.01 -0.11 0.00 -0.22 0.00 0.00 54.13 55.15 1xtf s LEU 361 Cb 0.02 -2.75 0.01 0.00 0.50 0.00 0.00 46.19 43.97 1xtf s LEU 361 CO 0.18 0.16 0.25 0.21 -1.32 0.00 0.00 176.35 175.83 1xtf s ASN 362 N -0.35 0.01 0.28 3.68 2.47 -1.26 -4.64 114.94 115.13 1xtf s ASN 362 Ca 0.27 -0.51 -0.28 0.00 0.42 0.00 0.00 52.86 52.76 1xtf s ASN 362 Cb -0.17 0.37 -0.14 0.00 -1.45 0.00 0.00 41.25 39.86 1xtf s ASN 362 CO 0.14 -0.74 0.92 -2.11 -3.72 0.00 0.00 177.10 171.60 1xtf n ARG 363 N 0.00 1.12 0.04 0.43 1.85 -1.26 -4.88 116.66 113.96 1xtf n ARG 363 Ca -0.16 0.39 -0.20 0.00 -1.00 0.00 0.00 57.85 56.88 1xtf n ARG 363 Cb 0.62 -1.70 -0.11 0.00 -1.05 0.00 0.00 32.46 30.22 1xtf n ARG 363 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1xtf h LYS 364 N 1.80 0.65 -6.58 2.89 1.79 -2.00 -3.44 116.57 111.68 1xtf h LYS 364 Ca -0.38 -0.73 -0.70 0.00 -2.18 0.00 0.00 60.65 56.67 1xtf h LYS 364 Cb 1.36 0.21 -0.29 0.00 -1.58 0.00 0.00 32.23 31.93 1xtf h LYS 364 CO 0.60 1.31 -0.87 0.99 -1.08 0.00 0.00 179.45 180.39 1xtf s THR 365 N -3.23 2.19 0.66 -0.16 2.01 -1.26 -4.81 115.64 111.04 1xtf s THR 365 Ca -0.10 -1.07 0.28 0.00 0.31 0.00 0.00 61.69 61.11 1xtf s THR 365 Cb 0.06 -1.77 0.28 0.00 0.01 0.00 0.00 72.50 71.08 1xtf s THR 365 CO 0.91 0.57 1.86 0.15 -0.69 0.00 0.00 174.62 177.42 1xtf h PHE 366 N 5.44 0.00 -0.38 4.92 3.57 -1.94 -0.94 116.94 127.61 1xtf h PHE 366 Ca -0.44 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 60.84 1xtf h PHE 366 Cb 1.13 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.75 1xtf h PHE 366 CO 0.41 0.00 0.29 1.28 -2.23 0.00 0.00 178.31 178.06 1xtf n LEU 367 N -2.90 5.22 -4.96 0.59 4.77 -1.26 -4.91 117.00 113.55 1xtf n LEU 367 Ca -0.01 -2.66 -0.22 0.00 -0.03 0.00 0.00 56.01 53.08 1xtf n LEU 367 Cb 0.44 -0.82 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 1xtf n LEU 367 CO 0.13 0.92 -0.06 0.20 -1.33 0.00 0.00 177.39 177.25 1xtf s ASN 368 N 0.30 6.31 -0.14 -1.43 0.01 -0.36 -5.10 114.94 114.53 1xtf s ASN 368 Ca 0.23 0.09 -0.03 0.00 -0.71 0.00 0.00 52.86 52.44 1xtf s ASN 368 Cb 0.19 -1.86 -0.03 0.00 0.41 0.00 0.00 41.25 39.96 1xtf s ASN 368 CO 0.02 -0.04 -0.03 -0.36 -1.51 0.00 0.00 177.10 175.18 1xtf s PHE 369 N -1.92 3.05 0.38 2.20 0.08 -1.26 -4.97 117.98 115.53 1xtf s PHE 369 Ca 0.34 -0.17 -0.24 0.00 0.12 0.00 0.00 56.93 56.98 1xtf s PHE 369 Cb -0.09 -1.91 -0.10 0.00 -0.57 0.00 0.00 43.02 40.34 1xtf s PHE 369 CO 0.29 0.09 0.97 -0.51 -0.10 0.00 0.00 175.22 175.95 1xtf s ASP 370 N 0.06 7.08 -0.17 1.36 1.01 -1.26 -4.60 116.67 120.16 1xtf s ASP 370 Ca 0.00 1.82 0.15 0.00 0.71 0.00 0.00 52.55 55.24 1xtf s ASP 370 Cb -0.13 -2.57 -0.21 0.00 1.01 0.00 0.00 42.92 41.02 1xtf s ASP 370 CO 0.03 -0.25 0.07 0.29 0.21 0.00 0.00 175.17 175.51 1xtf n LYS 371 N 0.01 1.16 -3.83 8.23 4.76 0.16 -4.84 118.16 123.81 1xtf n LYS 371 Ca 0.04 -0.01 -0.06 0.00 -2.87 0.00 0.00 58.31 55.41 1xtf n LYS 371 Cb 0.51 -1.44 -0.02 0.00 -1.84 0.00 0.00 35.03 32.24 1xtf n LYS 371 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xtf s ALA 372 N -2.43 -1.32 -0.10 7.82 0.00 -1.20 -0.42 121.76 124.10 1xtf s ALA 372 Ca -0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 1xtf s ALA 372 Cb 0.05 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1xtf s ALA 372 CO 0.71 -1.04 0.03 0.08 0.00 0.00 0.00 175.76 175.53 1xtf s VAL 373 N -3.74 4.51 -0.05 0.00 1.01 -0.60 -0.18 120.40 121.34 1xtf s VAL 373 Ca 0.11 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.97 1xtf s VAL 373 Cb -0.05 -2.92 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 1xtf s VAL 373 CO 0.06 0.59 -0.18 -0.36 0.00 0.00 0.00 175.10 175.21 1xtf s PHE 374 N -0.74 1.88 0.12 5.22 0.08 -0.15 -1.39 117.98 123.00 1xtf s PHE 374 Ca 0.12 -0.59 -0.28 0.00 0.12 0.00 0.00 56.93 56.30 1xtf s PHE 374 Cb -0.12 -1.27 -0.07 0.00 -0.57 0.00 0.00 43.02 41.00 1xtf s PHE 374 CO 0.02 -0.22 0.87 0.21 -0.10 0.00 0.00 175.22 176.01 1xtf s LYS 375 N 0.12 4.64 0.22 0.44 2.47 0.15 -1.80 119.74 125.98 1xtf s LYS 375 Ca -0.07 1.29 0.00 0.00 -1.56 0.00 0.00 55.97 55.64 1xtf s LYS 375 Cb -0.13 -3.34 -0.04 0.00 -1.46 0.00 0.00 37.83 32.86 1xtf s LYS 375 CO 0.03 0.34 0.11 0.96 0.16 0.00 0.00 175.35 176.95 1xtf s ILE 376 N -0.39 0.26 -0.28 5.43 -4.36 -0.59 -1.55 121.20 119.72 1xtf s ILE 376 Ca 0.42 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.79 1xtf s ILE 376 Cb -0.23 -2.52 0.12 0.00 1.25 0.00 0.00 42.46 41.08 1xtf s ILE 376 CO 0.28 -0.04 0.23 0.21 0.24 0.00 0.00 174.94 175.86 1xtf s ASN 377 N -3.22 2.22 0.00 4.36 3.84 -1.26 -4.62 114.94 116.27 1xtf s ASN 377 Ca 0.37 -0.86 0.26 0.00 0.21 0.00 0.00 52.86 52.84 1xtf s ASN 377 Cb 0.07 0.23 0.69 0.00 -0.55 0.00 0.00 41.25 41.69 1xtf s ASN 377 CO 0.12 -0.40 1.55 -0.38 -2.79 0.00 0.00 177.10 175.20 1xtf n ILE 378 N 5.29 0.01 0.18 -5.21 5.41 -1.26 -4.41 119.36 119.37 1xtf n ILE 378 Ca -0.04 -0.01 -0.14 0.00 1.00 0.00 0.00 62.75 63.56 1xtf n ILE 378 Cb 0.45 0.04 -0.08 0.00 -0.71 0.00 0.00 39.64 39.35 1xtf n ILE 378 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1xtf h VAL 379 N 0.00 0.70 -2.05 1.39 2.07 -1.91 -3.39 116.25 113.06 1xtf h VAL 379 Ca 0.00 -0.29 -0.62 0.00 0.82 0.00 0.00 66.70 66.61 1xtf h VAL 379 Cb 0.51 0.86 0.06 0.00 -1.52 0.00 0.00 31.29 31.19 1xtf h VAL 379 CO 0.00 0.06 0.66 -2.65 0.02 0.00 0.00 177.57 175.66 1xtf n PRO 380 N -5.21 1.76 0.22 1.57 -0.02 -1.26 -4.84 135.00 127.21 1xtf n PRO 380 Ca -0.10 0.63 0.15 0.00 -2.02 0.00 0.00 63.50 62.17 1xtf n PRO 380 Cb 0.24 -2.35 0.69 0.00 -0.02 0.00 0.00 33.50 32.06 1xtf n PRO 380 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1xtf h LYS 381 N 5.34 0.00 0.00 -0.52 3.64 -1.84 -1.73 116.57 121.46 1xtf h LYS 381 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1xtf h LYS 381 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1xtf h LYS 381 CO 0.84 0.00 -0.01 1.33 -2.27 0.00 0.00 179.45 179.34 1xtf n VAL 382 N -2.67 0.42 -0.11 2.00 0.24 -1.26 -3.88 118.33 113.07 1xtf n VAL 382 Ca 0.00 -0.20 -0.16 0.00 -2.04 0.00 0.00 64.34 61.94 1xtf n VAL 382 Cb 0.20 -0.55 -0.13 0.00 -1.47 0.00 0.00 33.84 31.89 1xtf n VAL 382 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1xtf n ASN 383 N -2.04 1.57 -3.67 -1.34 3.02 -0.68 -5.04 115.26 107.08 1xtf n ASN 383 Ca 0.06 -0.07 -0.12 0.00 -0.03 0.00 0.00 54.58 54.42 1xtf n ASN 383 Cb 0.40 -0.16 -0.08 0.00 -0.61 0.00 0.00 39.78 39.33 1xtf n ASN 383 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xtf s TYR 384 N -2.52 -0.70 0.24 3.10 6.14 -1.01 -4.59 117.35 118.01 1xtf s TYR 384 Ca -0.28 1.61 0.08 0.00 0.64 0.00 0.00 57.07 59.11 1xtf s TYR 384 Cb 0.08 0.29 -0.05 0.00 0.42 0.00 0.00 41.96 42.70 1xtf s TYR 384 CO 0.67 -0.35 -0.13 0.95 0.64 0.00 0.00 175.55 177.33 1xtf s THR 385 N 0.66 1.83 0.34 4.34 -4.23 0.14 -4.39 115.64 114.33 1xtf s THR 385 Ca -0.03 -2.22 0.03 0.00 -1.18 0.00 0.00 61.69 58.29 1xtf s THR 385 Cb -0.05 -2.20 0.28 0.00 1.34 0.00 0.00 72.50 71.87 1xtf s THR 385 CO -0.04 -0.48 1.98 0.40 -0.54 0.00 0.00 174.62 175.93 1xtf h ILE 386 N 2.43 1.10 0.00 2.99 2.04 -1.89 0.38 117.51 124.56 1xtf h ILE 386 Ca -0.39 -0.30 -0.21 0.00 1.00 0.00 0.00 64.86 64.96 1xtf h ILE 386 Cb 1.23 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1xtf h ILE 386 CO 0.63 0.16 -1.65 -1.22 0.00 0.00 0.00 178.15 176.07 1xtf n TYR 387 N -4.46 0.80 0.04 1.37 4.02 -1.26 -4.52 117.16 113.15 1xtf n TYR 387 Ca 0.09 0.27 0.00 0.00 -0.01 0.00 0.00 57.90 58.26 1xtf n TYR 387 Cb 0.13 -1.06 -0.00 0.00 -0.02 0.00 0.00 39.34 38.38 1xtf n TYR 387 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1xtf n ASP 388 N -2.87 0.33 0.00 7.72 8.00 -1.16 -5.07 116.55 123.50 1xtf n ASP 388 Ca -0.14 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1xtf n ASP 388 Cb 0.92 0.72 0.00 0.00 -0.02 0.00 0.00 41.12 42.73 1xtf n ASP 388 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xtf n GLY 389 N 0.74 3.59 0.09 0.44 0.00 0.13 -2.06 105.19 108.13 1xtf n GLY 389 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.00 1xtf n GLY 389 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xtf n PHE 390 N 13.29 0.80 -1.63 1.61 3.72 -1.26 -0.68 117.46 133.30 1xtf n PHE 390 Ca 0.00 0.25 -0.40 0.00 -0.05 0.00 0.00 57.45 57.25 1xtf n PHE 390 Cb 0.00 -0.96 -0.02 0.00 -0.94 0.00 0.00 39.48 37.56 1xtf n PHE 390 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1xtf n ASN 391 N -2.73 7.69 -4.60 4.37 3.02 -0.87 -4.39 115.26 117.74 1xtf n ASN 391 Ca -0.07 -2.80 -0.51 0.00 -0.03 0.00 0.00 54.58 51.17 1xtf n ASN 391 Cb 0.72 -1.51 -0.06 0.00 -0.61 0.00 0.00 39.78 38.32 1xtf n ASN 391 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1xtf n LEU 392 N 3.40 1.89 -4.76 3.41 4.77 -1.26 -4.23 117.00 120.22 1xtf n LEU 392 Ca 0.68 1.11 -0.33 0.00 -0.03 0.00 0.00 56.01 57.44 1xtf n LEU 392 Cb 0.26 -1.23 0.07 0.00 -2.33 0.00 0.00 43.42 40.19 1xtf n LEU 392 CO 0.81 -0.91 0.75 0.00 -1.33 0.00 0.00 177.39 176.71 1xtf s ARG 393 N 0.60 2.53 -1.86 3.23 1.70 -1.26 -2.87 118.95 121.02 1xtf s ARG 393 Ca 0.84 1.45 0.00 0.00 -0.47 0.00 0.00 55.73 57.54 1xtf s ARG 393 Cb -0.91 -1.91 0.00 0.00 -0.57 0.00 0.00 34.95 31.56 1xtf s ARG 393 CO 0.46 -1.47 0.00 0.09 -1.08 0.00 0.00 175.30 173.30 1xtf n ASN 394 N -2.67 -5.89 -3.97 -2.89 3.02 -1.26 -4.95 115.26 96.64 1xtf n ASN 394 Ca 0.11 0.06 -0.15 0.00 -0.03 0.00 0.00 54.58 54.57 1xtf n ASN 394 Cb 0.52 -4.95 -0.09 0.00 -0.61 0.00 0.00 39.78 34.65 1xtf n ASN 394 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1xtf s THR 395 N -3.01 0.09 -0.88 3.41 -4.23 -1.24 -5.01 115.64 104.78 1xtf s THR 395 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1xtf s THR 395 Cb 0.00 -2.51 0.10 0.00 1.34 0.00 0.00 72.50 71.43 1xtf s THR 395 CO 0.00 0.00 0.67 -0.46 -0.54 0.00 0.00 174.62 174.29 1xtf n ASN 396 N -0.71 1.65 -0.19 3.99 6.94 -1.26 -3.16 115.26 122.52 1xtf n ASN 396 Ca 0.03 -2.12 0.09 0.00 -0.02 0.00 0.00 54.58 52.56 1xtf n ASN 396 Cb 0.65 -0.52 -0.06 0.00 -2.36 0.00 0.00 39.78 37.48 1xtf n ASN 396 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1xtf n LEU 397 N 0.09 1.31 0.07 -4.53 4.32 -1.26 -4.47 117.00 112.53 1xtf n LEU 397 Ca 0.04 -0.61 0.12 0.00 -0.02 0.00 0.00 56.01 55.53 1xtf n LEU 397 Cb 0.38 0.00 0.23 0.00 -1.62 0.00 0.00 43.42 42.41 1xtf n LEU 397 CO 0.04 0.28 0.49 0.00 -1.22 0.00 0.00 177.39 176.98 1xtf n ALA 398 N -0.84 2.75 -2.80 -1.18 0.00 -1.14 -1.72 120.51 115.59 1xtf n ALA 398 Ca 0.06 -0.19 -0.32 0.00 0.00 0.00 0.00 53.44 52.98 1xtf n ALA 398 Cb 0.34 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 1xtf n ALA 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xtf s ALA 399 N -3.15 3.66 -1.36 0.00 0.00 -1.26 -4.50 121.76 115.14 1xtf s ALA 399 Ca 0.07 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 51.05 1xtf s ALA 399 Cb 0.13 -1.61 0.08 0.00 0.00 0.00 0.00 23.12 21.72 1xtf s ALA 399 CO 0.69 0.71 0.57 0.09 0.00 0.00 0.00 175.76 177.82 1xtf n ASN 400 N 0.99 -3.80 -4.10 0.00 5.03 -1.26 -0.58 115.26 111.55 1xtf n ASN 400 Ca -0.12 -0.49 -0.34 0.00 0.87 0.00 0.00 54.58 54.50 1xtf n ASN 400 Cb 0.52 -3.13 -0.01 0.00 -1.02 0.00 0.00 39.78 36.14 1xtf n ASN 400 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1xtf n PHE 401 N -4.06 -1.88 0.26 3.10 3.72 -1.26 -4.80 117.46 112.54 1xtf n PHE 401 Ca 0.00 0.80 0.08 0.00 -0.05 0.00 0.00 57.45 58.29 1xtf n PHE 401 Cb 0.53 -3.18 0.66 0.00 -0.94 0.00 0.00 39.48 36.55 1xtf n PHE 401 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1xtf h ASN 402 N -1.60 0.00 0.34 4.37 2.35 -0.87 -0.85 115.58 119.32 1xtf h ASN 402 Ca -0.58 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.11 1xtf h ASN 402 Cb 1.37 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.74 1xtf h ASN 402 CO 0.74 0.01 -0.30 1.23 -1.65 0.00 0.00 177.43 177.46 1xtf h GLY 403 N 0.03 0.00 1.41 2.83 0.00 -1.54 -1.63 103.07 104.18 1xtf h GLY 403 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xtf h GLY 403 CO 0.00 0.00 -0.45 1.46 0.00 0.00 0.00 176.54 177.55 1xtf h GLN 404 N 0.00 0.00 -6.26 4.80 4.20 -1.44 -3.44 115.11 112.97 1xtf h GLN 404 Ca -0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 1xtf h GLN 404 Cb 0.55 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1xtf h GLN 404 CO 0.04 0.00 0.97 1.21 -0.67 0.00 0.00 178.83 180.38 1xtf s ASN 405 N -4.41 6.79 0.00 1.46 3.84 -0.61 -0.67 114.94 121.34 1xtf s ASN 405 Ca 0.07 2.06 0.24 0.00 0.21 0.00 0.00 52.86 55.44 1xtf s ASN 405 Cb 0.13 -2.54 1.05 0.00 -0.55 0.00 0.00 41.25 39.33 1xtf s ASN 405 CO 0.69 -0.83 1.78 0.41 -2.79 0.00 0.00 177.10 176.37 1xtf n THR 406 N 5.22 0.32 -0.09 -5.21 -1.04 0.36 -1.56 114.28 112.28 1xtf n THR 406 Ca 0.15 0.08 -0.12 0.00 -2.04 0.00 0.00 64.05 62.12 1xtf n THR 406 Cb 0.43 -0.66 -0.06 0.00 -1.82 0.00 0.00 70.33 68.23 1xtf n THR 406 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1xtf n GLU 407 N -1.50 0.50 0.03 -2.82 -0.58 -1.26 -3.79 120.64 111.23 1xtf n GLU 407 Ca 0.06 0.55 -0.02 0.00 -0.42 0.00 0.00 57.16 57.33 1xtf n GLU 407 Cb 0.28 -1.71 -0.01 0.00 -0.57 0.00 0.00 31.44 29.43 1xtf n GLU 407 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1xtf h ILE 408 N -1.00 0.00 -0.12 -3.67 2.04 -1.86 -2.96 117.51 109.93 1xtf h ILE 408 Ca -0.16 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.57 1xtf h ILE 408 Cb 0.87 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1xtf h ILE 408 CO -0.10 0.00 -0.04 -3.20 0.00 0.00 0.00 178.15 174.82 1xtf n ASN 409 N -2.46 5.53 0.28 1.72 5.15 -0.60 -4.63 115.26 120.24 1xtf n ASN 409 Ca -0.01 -2.56 0.18 0.00 -0.60 0.00 0.00 54.58 51.59 1xtf n ASN 409 Cb 0.04 -1.21 0.91 0.00 -0.53 0.00 0.00 39.78 38.99 1xtf n ASN 409 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1xtf h ASN 410 N 1.76 0.00 0.96 1.20 -1.07 -1.61 -1.37 115.58 115.43 1xtf h ASN 410 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.48 1xtf h ASN 410 Cb 1.12 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.37 1xtf h ASN 410 CO 0.21 0.00 0.00 0.23 0.07 0.00 0.00 177.43 177.94 1xtf n MET 411 N -3.28 0.11 0.00 4.14 2.81 -1.26 -2.97 117.12 116.67 1xtf n MET 411 Ca -0.00 0.21 0.11 0.00 -1.81 0.00 0.00 57.70 56.20 1xtf n MET 411 Cb 0.31 -1.66 -0.01 0.00 -0.71 0.00 0.00 33.22 31.15 1xtf n MET 411 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1xtf n ASN 412 N -1.87 1.27 -3.88 7.83 3.02 -0.52 -4.89 115.26 116.23 1xtf n ASN 412 Ca 0.05 -1.07 -0.24 0.00 -0.03 0.00 0.00 54.58 53.28 1xtf n ASN 412 Cb 0.30 0.70 -0.17 0.00 -0.61 0.00 0.00 39.78 40.00 1xtf n ASN 412 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1xtf s PHE 413 N -2.81 1.13 -0.30 3.10 0.08 -1.16 -4.47 117.98 113.56 1xtf s PHE 413 Ca 0.13 -0.47 -0.02 0.00 0.12 0.00 0.00 56.93 56.68 1xtf s PHE 413 Cb 0.17 -1.01 0.04 0.00 -0.57 0.00 0.00 43.02 41.66 1xtf s PHE 413 CO 0.74 -0.39 0.00 0.99 -0.10 0.00 0.00 175.22 176.46 1xtf s THR 414 N 1.56 3.08 0.23 0.64 2.01 -0.59 -4.87 115.64 117.69 1xtf s THR 414 Ca 0.00 -1.28 -0.30 0.00 0.31 0.00 0.00 61.69 60.42 1xtf s THR 414 Cb -0.13 -2.73 -0.10 0.00 0.01 0.00 0.00 72.50 69.55 1xtf s THR 414 CO -0.05 -0.06 1.49 -0.75 -0.69 0.00 0.00 174.62 174.56 1xtf s LYS 415 N 1.29 4.24 -0.04 4.92 2.20 -1.26 0.30 119.74 131.38 1xtf s LYS 415 Ca -0.04 2.34 0.10 0.00 -0.36 0.00 0.00 55.97 58.01 1xtf s LYS 415 Cb -0.19 -3.12 -0.14 0.00 -1.51 0.00 0.00 37.83 32.87 1xtf s LYS 415 CO -0.01 -0.49 0.15 1.28 -0.36 0.00 0.00 175.35 175.92 1xtf n LEU 416 N 2.82 0.00 -3.64 5.43 4.77 -0.48 -4.88 117.00 121.02 1xtf n LEU 416 Ca 0.09 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.03 1xtf n LEU 416 Cb 0.39 0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1xtf n LEU 416 CO 0.61 0.09 1.08 -0.75 -1.33 0.00 0.00 177.39 177.08 1xtf s LYS 417 N -2.53 0.16 0.18 3.23 2.20 -1.23 -5.01 119.74 116.73 1xtf s LYS 417 Ca -0.04 0.12 -0.01 0.00 -0.36 0.00 0.00 55.97 55.68 1xtf s LYS 417 Cb 0.05 0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 1xtf s LYS 417 CO 0.41 -0.03 0.37 -0.80 -0.36 0.00 0.00 175.35 174.94 1xtf s ASN 418 N -0.34 6.39 -0.69 1.43 -0.87 -1.26 -1.56 114.94 118.04 1xtf s ASN 418 Ca 0.07 0.40 -0.17 0.00 -1.57 0.00 0.00 52.86 51.59 1xtf s ASN 418 Cb -0.03 -2.01 0.14 0.00 -0.02 0.00 0.00 41.25 39.33 1xtf s ASN 418 CO -0.11 -0.01 0.73 -0.36 -2.57 0.00 0.00 177.10 174.78 1xtf s PHE 419 N -1.81 3.28 0.19 2.20 0.08 0.43 -4.94 117.98 117.41 1xtf s PHE 419 Ca 0.38 -1.37 -0.21 0.00 0.12 0.00 0.00 56.93 55.85 1xtf s PHE 419 Cb -0.11 -3.95 0.12 0.00 -0.57 0.00 0.00 43.02 38.51 1xtf s PHE 419 CO 0.28 -1.18 1.58 1.15 -0.10 0.00 0.00 175.22 176.96 1xtf h THR 420 N 5.59 0.14 -4.16 0.64 2.02 -1.86 -3.41 112.91 111.87 1xtf h THR 420 Ca -0.13 0.00 -0.48 0.00 0.77 0.00 0.00 66.41 66.57 1xtf h THR 420 Cb 1.07 0.14 0.04 0.00 -1.74 0.00 0.00 68.15 67.66 1xtf h THR 420 CO 0.99 0.00 0.38 -2.84 0.37 0.00 0.00 175.52 174.42 1xtf s PRO 421 N -5.97 3.62 -0.20 6.66 0.02 -1.26 -5.04 135.00 132.83 1xtf s PRO 421 Ca -0.14 1.17 0.02 0.00 0.02 0.00 0.00 61.00 62.06 1xtf s PRO 421 Cb 0.16 -2.08 0.03 0.00 0.02 0.00 0.00 34.50 32.63 1xtf s PRO 421 CO 0.69 -0.56 -0.16 0.20 -0.33 0.00 0.00 177.00 176.84 1xtf s GLY 422 N -2.66 1.45 0.00 0.52 0.00 -1.26 -4.90 107.32 100.47 1xtf s GLY 422 Ca 0.63 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1xtf s GLY 422 CO 0.31 0.42 0.00 -2.39 0.00 0.00 0.00 173.10 171.44 1xtf n HIS 423 N 4.57 0.00 -0.43 1.90 1.44 -1.26 -5.16 115.22 116.29 1xtf n HIS 423 Ca -0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 1xtf n HIS 423 Cb 0.47 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.58 1xtf n HIS 423 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1xtf n HIS 424 N 0.00 0.00 -2.40 -1.40 1.44 -1.26 -5.06 115.22 106.54 1xtf n HIS 424 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1xtf n HIS 424 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1xtf n HIS 424 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1xtf n HIS 425 N 0.00 0.00 0.00 -1.40 -0.00 -1.26 -4.79 115.22 107.77 1xtf n HIS 425 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1xtf n HIS 425 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1xtf n HIS 425 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1xtf n HIS 426 N 0.00 0.00 -3.31 1.57 -0.00 -1.26 -4.70 115.22 107.52 1xtf n HIS 426 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1xtf n HIS 426 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1xtf n HIS 426 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1xtf n HIS 427 N 0.00 0.00 0.00 1.57 8.25 -1.26 -5.17 115.22 118.61 1xtf n HIS 427 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1xtf n HIS 427 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1xtf n HIS 427 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70