#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrf s MET 1 N 0.00 2.24 -0.10 -2.67 -1.94 -1.26 -5.05 119.30 110.52 1xrf s MET 1 Ca 0.00 -0.86 0.19 0.00 -1.71 0.00 0.00 55.69 53.31 1xrf s MET 1 Cb 0.00 -1.99 -0.28 0.00 2.01 0.00 0.00 34.83 34.57 1xrf s MET 1 CO 0.00 0.42 0.27 -0.11 -0.01 0.00 0.00 175.02 175.59 1xrf n LEU 2 N 2.79 0.00 -4.01 -0.03 0.00 -1.26 -4.90 117.00 109.59 1xrf n LEU 2 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.70 1xrf n LEU 2 Cb 0.52 0.21 -0.13 0.00 0.00 0.00 0.00 43.42 44.03 1xrf n LEU 2 CO 0.24 0.21 -0.40 -0.54 0.00 0.00 0.00 177.39 176.91 1xrf s LYS 3 N -2.98 0.45 -0.03 1.96 1.02 -1.26 -0.34 119.74 118.57 1xrf s LYS 3 Ca -0.08 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.41 1xrf s LYS 3 Cb 0.10 -0.30 0.02 0.00 -0.52 0.00 0.00 37.83 37.13 1xrf s LYS 3 CO 0.82 0.06 -0.03 -1.17 -0.92 0.00 0.00 175.35 174.12 1xrf s LEU 4 N -0.96 1.45 -0.16 3.17 2.96 -0.20 -1.14 118.68 123.79 1xrf s LEU 4 Ca -0.05 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1xrf s LEU 4 Cb -0.07 -0.30 -0.01 0.00 0.50 0.00 0.00 46.19 46.32 1xrf s LEU 4 CO 0.00 -0.04 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.26 1xrf s ILE 5 N 0.67 3.19 -0.44 6.68 1.01 0.41 -0.41 121.20 132.30 1xrf s ILE 5 Ca -0.08 -0.59 -0.17 0.00 0.00 0.00 0.00 60.65 59.81 1xrf s ILE 5 Cb -0.11 -2.38 0.03 0.00 0.01 0.00 0.00 42.46 40.02 1xrf s ILE 5 CO -0.01 0.49 0.47 -0.69 0.00 0.00 0.00 174.94 175.20 1xrf s VAL 6 N 0.70 5.07 0.10 2.92 1.01 0.18 -0.49 120.40 129.89 1xrf s VAL 6 Ca -0.05 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1xrf s VAL 6 Cb -0.15 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1xrf s VAL 6 CO 0.02 -0.51 -0.00 -0.54 0.00 0.00 0.00 175.10 174.07 1xrf s LYS 7 N 2.16 2.52 0.00 2.72 1.02 -0.33 -1.20 119.74 126.63 1xrf s LYS 7 Ca 0.12 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.23 1xrf s LYS 7 Cb -0.18 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.61 1xrf s LYS 7 CO 0.12 0.53 0.00 0.09 -0.92 0.00 0.00 175.35 175.17 1xrf n ASN 8 N 0.49 -2.29 -4.91 2.83 3.02 -1.26 -0.15 115.26 112.98 1xrf n ASN 8 Ca -0.11 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.16 1xrf n ASN 8 Cb 0.52 -1.21 0.04 0.00 -0.61 0.00 0.00 39.78 38.52 1xrf n ASN 8 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1xrf s GLY 9 N -2.00 1.62 -0.53 7.41 0.00 -1.23 -3.58 107.32 109.00 1xrf s GLY 9 Ca 0.00 -0.59 -0.18 0.00 0.00 0.00 0.00 44.72 43.95 1xrf s GLY 9 CO 0.00 -0.27 0.60 -0.47 0.00 0.00 0.00 173.10 172.96 1xrf s TYR 10 N -3.14 3.08 -0.04 1.90 5.04 -0.03 -2.94 117.35 121.22 1xrf s TYR 10 Ca 0.56 -0.83 -0.25 0.00 -2.44 0.00 0.00 57.07 54.11 1xrf s TYR 10 Cb -0.11 -3.67 -0.04 0.00 0.35 0.00 0.00 41.96 38.50 1xrf s TYR 10 CO 0.47 -1.08 0.77 0.08 -1.34 0.00 0.00 175.55 174.45 1xrf s VAL 11 N 2.38 4.99 -0.19 3.14 1.01 0.34 -0.96 120.40 131.11 1xrf s VAL 11 Ca 0.11 1.61 -0.00 0.00 0.00 0.00 0.00 61.98 63.69 1xrf s VAL 11 Cb -0.23 -4.11 0.05 0.00 0.00 0.00 0.00 36.38 32.08 1xrf s VAL 11 CO 0.08 0.24 -0.05 -0.63 0.00 0.00 0.00 175.10 174.73 1xrf s ILE 12 N 0.80 1.23 -0.48 2.22 1.01 -0.22 -1.01 121.20 124.75 1xrf s ILE 12 Ca 0.41 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.29 1xrf s ILE 12 Cb -0.19 -1.43 0.14 0.00 0.01 0.00 0.00 42.46 40.99 1xrf s ILE 12 CO 0.21 0.06 0.29 -0.62 0.00 0.00 0.00 174.94 174.88 1xrf s ASP 13 N 1.57 3.67 0.53 3.58 2.15 0.00 -4.23 116.67 123.93 1xrf s ASP 13 Ca -0.01 -2.89 0.18 0.00 0.43 0.00 0.00 52.55 50.27 1xrf s ASP 13 Cb -0.16 -1.13 1.35 0.00 -0.30 0.00 0.00 42.92 42.68 1xrf s ASP 13 CO -0.07 -0.23 2.16 -0.65 -0.17 0.00 0.00 175.17 176.21 1xrf h PRO 14 N 6.41 0.00 -0.02 4.34 0.11 -1.91 -1.58 132.00 139.34 1xrf h PRO 14 Ca 0.03 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.15 1xrf h PRO 14 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1xrf h PRO 14 CO 0.53 0.01 0.03 0.66 -0.21 0.00 0.00 178.00 179.02 1xrf h SER 15 N 0.00 0.00 -0.12 -2.05 4.64 -1.94 -1.52 113.55 112.56 1xrf h SER 15 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xrf h SER 15 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1xrf h SER 15 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1xrf n GLN 16 N -3.79 1.60 -3.86 4.77 6.02 -0.64 -4.99 117.38 116.49 1xrf n GLN 16 Ca -0.02 -1.41 -0.28 0.00 -0.01 0.00 0.00 57.00 55.27 1xrf n GLN 16 Cb 0.11 -1.14 0.03 0.00 1.02 0.00 0.00 30.24 30.25 1xrf n GLN 16 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1xrf n ASN 17 N 0.22 -3.65 -4.38 1.08 5.15 -0.57 -4.95 115.26 108.16 1xrf n ASN 17 Ca 0.06 -0.80 -0.33 0.00 -0.60 0.00 0.00 54.58 52.90 1xrf n ASN 17 Cb 0.27 -3.89 -0.14 0.00 -0.53 0.00 0.00 39.78 35.49 1xrf n ASN 17 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1xrf s LEU 18 N -7.11 2.73 -0.27 1.20 1.98 -0.94 -5.02 118.68 111.24 1xrf s LEU 18 Ca 0.46 -0.31 -0.25 0.00 -2.89 0.00 0.00 54.13 51.14 1xrf s LEU 18 Cb -0.23 -1.61 0.08 0.00 0.66 0.00 0.00 46.19 45.09 1xrf s LEU 18 CO 0.83 0.18 0.78 -1.83 -1.89 0.00 0.00 176.35 174.42 1xrf s GLU 19 N 0.27 0.77 0.00 1.98 -1.05 -1.25 -0.82 118.70 118.60 1xrf s GLU 19 Ca -0.09 0.93 0.00 0.00 -0.15 0.00 0.00 54.97 55.66 1xrf s GLU 19 Cb -0.16 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 1xrf s GLU 19 CO 0.05 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.58 1xrf n GLY 20 N 2.68 -1.60 3.55 -3.83 0.00 -0.18 -4.99 105.19 100.81 1xrf n GLY 20 Ca -0.14 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 1xrf n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xrf s GLU 21 N -1.66 3.19 0.03 1.61 2.02 -1.26 -0.50 118.70 122.12 1xrf s GLU 21 Ca 0.00 -0.18 0.02 0.00 0.02 0.00 0.00 54.97 54.82 1xrf s GLU 21 Cb 0.00 -4.18 -0.02 0.00 0.10 0.00 0.00 34.13 30.03 1xrf s GLU 21 CO 0.00 -2.15 -0.06 -0.06 0.02 0.00 0.00 175.26 173.01 1xrf s PHE 22 N 5.82 0.56 0.38 1.61 0.08 -1.15 -4.61 117.98 120.67 1xrf s PHE 22 Ca 0.37 -0.43 -0.11 0.00 0.12 0.00 0.00 56.93 56.87 1xrf s PHE 22 Cb -0.08 -0.34 -0.07 0.00 -0.57 0.00 0.00 43.02 41.96 1xrf s PHE 22 CO 0.16 -0.09 0.75 -0.51 -0.10 0.00 0.00 175.22 175.43 1xrf s ASP 23 N -1.31 6.58 -0.11 1.36 1.01 0.37 -3.99 116.67 120.58 1xrf s ASP 23 Ca -0.09 1.14 0.03 0.00 0.71 0.00 0.00 52.55 54.34 1xrf s ASP 23 Cb -0.09 -2.32 0.01 0.00 1.01 0.00 0.00 42.92 41.53 1xrf s ASP 23 CO 0.00 -0.34 -0.18 -0.63 0.21 0.00 0.00 175.17 174.23 1xrf s ILE 24 N -2.26 1.71 -0.29 0.77 1.01 -0.34 -1.81 121.20 120.00 1xrf s ILE 24 Ca 0.51 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 1xrf s ILE 24 Cb -0.10 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1xrf s ILE 24 CO 0.28 0.48 0.27 -0.22 0.00 0.00 0.00 174.94 175.75 1xrf s LEU 25 N 0.75 4.10 -0.16 2.97 2.96 0.25 -0.65 118.68 128.91 1xrf s LEU 25 Ca -0.11 0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.80 1xrf s LEU 25 Cb -0.16 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 1xrf s LEU 25 CO 0.02 -0.14 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.19 1xrf s VAL 26 N 1.89 3.97 -0.10 1.68 1.01 0.45 -0.88 120.40 128.41 1xrf s VAL 26 Ca 0.10 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1xrf s VAL 26 Cb -0.16 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.49 1xrf s VAL 26 CO 0.11 0.49 -0.14 -1.61 0.00 0.00 0.00 175.10 173.94 1xrf s GLU 27 N 0.39 2.08 -1.56 2.72 2.02 -0.24 -1.04 118.70 123.08 1xrf s GLU 27 Ca -0.03 -0.51 -0.14 0.00 0.02 0.00 0.00 54.97 54.31 1xrf s GLU 27 Cb -0.14 -1.79 0.10 0.00 0.10 0.00 0.00 34.13 32.39 1xrf s GLU 27 CO 0.03 -0.07 0.91 -1.71 0.02 0.00 0.00 175.26 174.44 1xrf n ASN 28 N 4.22 -4.16 0.00 -0.19 5.15 0.54 -2.06 115.26 118.76 1xrf n ASN 28 Ca -0.19 -0.84 0.00 0.00 -0.60 0.00 0.00 54.58 52.95 1xrf n ASN 28 Cb 0.51 -3.60 0.00 0.00 -0.53 0.00 0.00 39.78 36.17 1xrf n ASN 28 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xrf n GLY 29 N -1.63 1.08 3.32 8.20 0.00 -1.26 -5.04 105.19 109.87 1xrf n GLY 29 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1xrf n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xrf s LYS 30 N -0.40 1.23 -0.01 1.61 1.02 -0.88 -0.96 119.74 121.36 1xrf s LYS 30 Ca 0.00 -1.34 -0.30 0.00 0.02 0.00 0.00 55.97 54.35 1xrf s LYS 30 Cb 0.00 -1.33 -0.04 0.00 -0.52 0.00 0.00 37.83 35.94 1xrf s LYS 30 CO 0.00 0.28 1.23 0.42 -0.92 0.00 0.00 175.35 176.36 1xrf s ILE 31 N -1.84 4.09 -0.18 2.17 -1.09 0.35 -1.07 121.20 123.63 1xrf s ILE 31 Ca 0.13 1.46 -0.00 0.00 -2.23 0.00 0.00 60.65 60.01 1xrf s ILE 31 Cb -0.07 -3.94 -0.11 0.00 -1.58 0.00 0.00 42.46 36.77 1xrf s ILE 31 CO 0.06 0.04 -0.17 1.17 -1.23 0.00 0.00 174.94 174.81 1xrf n LYS 32 N 4.78 0.43 -3.60 2.79 3.00 -0.06 -0.46 118.16 125.04 1xrf n LYS 32 Ca 0.11 0.11 -0.15 0.00 -0.00 0.00 0.00 58.31 58.38 1xrf n LYS 32 Cb 0.46 -1.32 -0.07 0.00 0.00 0.00 0.00 35.03 34.10 1xrf n LYS 32 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1xrf s LYS 33 N -2.35 0.90 -0.12 1.64 2.20 -1.11 -4.88 119.74 116.03 1xrf s LYS 33 Ca -0.24 0.76 0.01 0.00 -0.36 0.00 0.00 55.97 56.14 1xrf s LYS 33 Cb 0.07 0.43 0.02 0.00 -1.51 0.00 0.00 37.83 36.84 1xrf s LYS 33 CO 0.39 -0.17 -0.14 0.42 -0.36 0.00 0.00 175.35 175.49 1xrf s ILE 34 N -0.11 1.45 0.16 5.43 1.01 -1.26 -0.58 121.20 127.30 1xrf s ILE 34 Ca -0.03 -0.59 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 1xrf s ILE 34 Cb -0.03 -1.35 0.06 0.00 0.01 0.00 0.00 42.46 41.15 1xrf s ILE 34 CO 0.04 0.43 0.56 -0.62 0.00 0.00 0.00 174.94 175.36 1xrf s ASP 35 N 1.21 -0.50 0.42 3.58 -1.08 -0.75 -5.00 116.67 114.56 1xrf s ASP 35 Ca -0.02 -0.08 -0.25 0.00 -0.52 0.00 0.00 52.55 51.67 1xrf s ASP 35 Cb -0.14 0.58 -0.08 0.00 -1.46 0.00 0.00 42.92 41.82 1xrf s ASP 35 CO -0.05 -0.96 1.31 -0.54 0.52 0.00 0.00 175.17 175.46 1xrf s LYS 36 N -3.77 3.87 -0.04 4.34 1.02 -1.26 -0.48 119.74 123.42 1xrf s LYS 36 Ca 0.02 2.17 -0.02 0.00 0.02 0.00 0.00 55.97 58.15 1xrf s LYS 36 Cb -0.01 -2.69 0.01 0.00 -0.52 0.00 0.00 37.83 34.62 1xrf s LYS 36 CO -0.12 -0.58 0.05 0.09 -0.92 0.00 0.00 175.35 173.87 1xrf n ASN 37 N -0.02 -6.19 -4.11 2.83 4.13 -1.26 -4.77 115.26 105.86 1xrf n ASN 37 Ca 0.04 1.04 -0.24 0.00 1.68 0.00 0.00 54.58 57.10 1xrf n ASN 37 Cb 0.44 -2.27 -0.16 0.00 -1.54 0.00 0.00 39.78 36.25 1xrf n ASN 37 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1xrf s ILE 38 N -0.13 1.24 -0.12 2.41 1.01 -1.26 -4.99 121.20 119.35 1xrf s ILE 38 Ca -0.06 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 1xrf s ILE 38 Cb 0.00 -1.05 0.05 0.00 0.01 0.00 0.00 42.46 41.47 1xrf s ILE 38 CO 0.15 0.36 0.27 -0.22 0.00 0.00 0.00 174.94 175.50 1xrf s LEU 39 N -0.11 0.12 0.05 2.97 2.96 -1.26 -5.03 118.68 118.37 1xrf s LEU 39 Ca 0.01 0.59 0.01 0.00 -0.22 0.00 0.00 54.13 54.51 1xrf s LEU 39 Cb -0.09 0.79 -0.03 0.00 0.50 0.00 0.00 46.19 47.37 1xrf s LEU 39 CO 0.01 -0.19 -0.05 0.68 -1.32 0.00 0.00 176.35 175.47 1xrf s VAL 40 N 1.66 0.35 0.60 1.68 -7.23 -1.26 -5.15 120.40 111.06 1xrf s VAL 40 Ca -0.06 -1.31 -0.16 0.00 -1.81 0.00 0.00 61.98 58.64 1xrf s VAL 40 Cb -0.11 -0.86 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 1xrf s VAL 40 CO -0.09 -0.63 1.07 -2.16 -0.31 0.00 0.00 175.10 172.98 1xrf s PRO 41 N -2.40 3.23 -1.35 4.82 0.04 -1.26 -4.08 135.00 134.00 1xrf s PRO 41 Ca -0.05 1.26 -0.05 0.00 0.04 0.00 0.00 61.00 62.21 1xrf s PRO 41 Cb -0.04 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.51 1xrf s PRO 41 CO -0.03 -0.89 0.88 0.39 0.04 0.00 0.00 177.00 177.39 1xrf n GLU 42 N -2.04 -5.71 -4.64 4.56 1.02 -1.26 -5.00 120.64 107.57 1xrf n GLU 42 Ca 0.09 0.68 -0.31 0.00 -0.02 0.00 0.00 57.16 57.60 1xrf n GLU 42 Cb 0.53 -5.45 -0.13 0.00 -0.02 0.00 0.00 31.44 26.37 1xrf n GLU 42 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xrf s ALA 43 N -3.49 2.60 0.41 0.62 0.00 -1.26 -4.34 121.76 116.31 1xrf s ALA 43 Ca 0.24 -1.20 -0.23 0.00 0.00 0.00 0.00 51.96 50.77 1xrf s ALA 43 Cb -0.11 -0.74 -0.10 0.00 0.00 0.00 0.00 23.12 22.17 1xrf s ALA 43 CO 0.79 0.57 1.00 -2.00 0.00 0.00 0.00 175.76 176.13 1xrf s GLU 44 N -1.47 4.20 -0.10 0.00 2.12 -0.30 -4.90 118.70 118.26 1xrf s GLU 44 Ca 0.15 1.35 0.03 0.00 0.36 0.00 0.00 54.97 56.85 1xrf s GLU 44 Cb -0.10 -2.42 0.01 0.00 0.26 0.00 0.00 34.13 31.87 1xrf s GLU 44 CO 0.05 -0.08 -0.18 0.42 -0.54 0.00 0.00 175.26 174.93 1xrf s ILE 45 N -1.84 1.65 -0.21 -3.70 1.01 -1.26 -0.45 121.20 116.40 1xrf s ILE 45 Ca 0.59 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 60.39 1xrf s ILE 45 Cb -0.17 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 1xrf s ILE 45 CO 0.22 0.47 0.11 -0.63 0.00 0.00 0.00 174.94 175.11 1xrf s ILE 46 N 0.68 5.09 -0.58 2.92 1.01 0.36 -4.96 121.20 125.72 1xrf s ILE 46 Ca -0.13 0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.38 1xrf s ILE 46 Cb -0.16 -3.33 0.05 0.00 0.01 0.00 0.00 42.46 39.03 1xrf s ILE 46 CO 0.03 0.42 0.88 -0.62 0.00 0.00 0.00 174.94 175.65 1xrf s ASP 47 N 0.63 6.26 -0.32 3.58 -1.08 -1.26 -1.19 116.67 123.29 1xrf s ASP 47 Ca 0.06 -0.68 0.09 0.00 -0.52 0.00 0.00 52.55 51.50 1xrf s ASP 47 Cb -0.12 -2.40 0.72 0.00 -1.46 0.00 0.00 42.92 39.66 1xrf s ASP 47 CO 0.01 -1.23 1.78 0.00 0.52 0.00 0.00 175.17 176.25 1xrf n ALA 48 N 7.27 4.58 -1.73 3.66 0.00 0.79 -4.96 120.51 130.12 1xrf n ALA 48 Ca -0.02 -2.26 -0.42 0.00 0.00 0.00 0.00 53.44 50.74 1xrf n ALA 48 Cb 0.46 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 1xrf n ALA 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1xrf s LYS 49 N -2.90 4.13 0.00 0.00 2.20 -1.23 -0.95 119.74 120.99 1xrf s LYS 49 Ca 0.53 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.74 1xrf s LYS 49 Cb 0.43 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 1xrf s LYS 49 CO 0.13 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 174.74 1xrf n GLY 50 N 4.08 0.70 3.56 5.54 0.00 -1.26 -4.98 105.19 112.83 1xrf n GLY 50 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1xrf n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xrf s LEU 51 N 0.00 2.93 -0.14 0.99 1.43 -0.13 -4.77 118.68 118.99 1xrf s LEU 51 Ca 0.00 -0.67 -0.17 0.00 -1.03 0.00 0.00 54.13 52.26 1xrf s LEU 51 Cb 0.00 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1xrf s LEU 51 CO 0.00 0.08 0.43 -0.63 0.23 0.00 0.00 176.35 176.46 1xrf s ILE 52 N -1.91 5.21 -0.20 -0.59 1.01 -0.17 -0.85 121.20 123.69 1xrf s ILE 52 Ca 0.26 0.84 -0.04 0.00 0.00 0.00 0.00 60.65 61.71 1xrf s ILE 52 Cb -0.08 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 1xrf s ILE 52 CO 0.16 0.32 -0.04 -0.69 0.00 0.00 0.00 174.94 174.68 1xrf s VAL 53 N 0.77 3.49 0.28 2.92 1.01 -0.14 -0.92 120.40 127.81 1xrf s VAL 53 Ca 0.23 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 1xrf s VAL 53 Cb -0.15 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.66 1xrf s VAL 53 CO 0.08 0.44 0.45 0.00 0.00 0.00 0.00 175.10 176.07 1xrf n PRO 55 N -0.44 0.41 -2.03 0.00 -0.02 -1.26 -0.63 135.00 131.02 1xrf n PRO 55 Ca -0.01 0.21 -0.38 0.00 -2.02 0.00 0.00 63.50 61.30 1xrf n PRO 55 Cb 0.62 -2.42 0.01 0.00 -0.02 0.00 0.00 33.50 31.69 1xrf n PRO 55 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1xrf s GLY 56 N -1.91 2.85 0.56 -1.23 0.00 -0.34 -4.02 107.32 103.25 1xrf s GLY 56 Ca 0.75 1.16 -0.17 0.00 0.00 0.00 0.00 44.72 46.46 1xrf s GLY 56 CO 0.49 1.67 1.05 -1.36 0.00 0.00 0.00 173.10 174.94 1xrf s PHE 57 N -1.39 3.02 -0.12 1.90 0.08 -0.96 -4.59 117.98 115.92 1xrf s PHE 57 Ca 0.65 1.52 0.02 0.00 0.12 0.00 0.00 56.93 59.24 1xrf s PHE 57 Cb -0.35 -3.01 0.02 0.00 -0.57 0.00 0.00 43.02 39.10 1xrf s PHE 57 CO 0.43 -1.00 -0.16 0.42 -0.10 0.00 0.00 175.22 174.81 1xrf s ILE 58 N -2.35 1.61 -0.32 0.64 1.01 0.11 -1.12 121.20 120.78 1xrf s ILE 58 Ca 0.64 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 60.55 1xrf s ILE 58 Cb -0.16 -1.47 0.05 0.00 0.01 0.00 0.00 42.46 40.89 1xrf s ILE 58 CO 0.32 0.46 0.06 -0.62 0.00 0.00 0.00 174.94 175.17 1xrf s ASP 59 N 1.06 5.11 0.00 3.58 -1.08 -0.49 -4.76 116.67 120.09 1xrf s ASP 59 Ca -0.04 -1.23 0.18 0.00 -0.52 0.00 0.00 52.55 50.93 1xrf s ASP 59 Cb -0.15 -1.79 0.50 0.00 -1.46 0.00 0.00 42.92 40.02 1xrf s ASP 59 CO -0.04 -0.30 1.42 2.30 0.52 0.00 0.00 175.17 179.07 1xrf n ILE 60 N 4.72 0.70 -3.33 4.11 -5.35 -1.26 -0.66 119.36 118.28 1xrf n ILE 60 Ca -0.12 -0.72 -0.22 0.00 -0.27 0.00 0.00 62.75 61.41 1xrf n ILE 60 Cb 0.44 0.41 -0.09 0.00 -1.74 0.00 0.00 39.64 38.67 1xrf n ILE 60 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1xrf s HIS 61 N -1.30 0.28 -0.02 4.28 2.46 -1.25 -4.71 115.29 115.02 1xrf s HIS 61 Ca 0.37 -1.52 0.04 0.00 0.47 0.00 0.00 55.06 54.42 1xrf s HIS 61 Cb 0.19 -0.62 -0.01 0.00 -0.13 0.00 0.00 32.58 32.02 1xrf s HIS 61 CO 0.26 -0.92 -0.14 0.08 -2.47 0.00 0.00 174.74 171.54 1xrf s VAL 62 N 0.79 1.17 -0.39 0.89 1.01 -0.90 -1.31 120.40 121.66 1xrf s VAL 62 Ca 0.24 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 1xrf s VAL 62 Cb -0.09 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.33 1xrf s VAL 62 CO -0.08 0.34 0.25 -1.00 0.00 0.00 0.00 175.10 174.61 1xrf s HIS 63 N -0.15 3.24 -1.12 5.22 3.76 -0.22 -1.35 115.29 124.68 1xrf s HIS 63 Ca 0.02 -0.81 0.24 0.00 -0.15 0.00 0.00 55.06 54.36 1xrf s HIS 63 Cb -0.08 -2.53 0.37 0.00 1.11 0.00 0.00 32.58 31.45 1xrf s HIS 63 CO 0.00 -0.63 1.32 1.28 -0.85 0.00 0.00 174.74 175.86 1xrf n LEU 64 N 5.07 0.71 -1.68 0.89 4.77 -1.26 -4.51 117.00 120.99 1xrf n LEU 64 Ca -0.11 -0.16 -0.17 0.00 -0.03 0.00 0.00 56.01 55.54 1xrf n LEU 64 Cb 0.46 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1xrf n LEU 64 CO 0.39 0.17 -0.19 0.54 -1.33 0.00 0.00 177.39 176.96 1xrf n ARG 65 N -1.36 -1.27 -3.53 3.23 5.12 -1.26 -3.21 116.66 114.38 1xrf n ARG 65 Ca 0.06 0.91 -0.20 0.00 -1.93 0.00 0.00 57.85 56.69 1xrf n ARG 65 Cb 0.34 -5.25 -0.14 0.00 -1.16 0.00 0.00 32.46 26.25 1xrf n ARG 65 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1xrf s ASP 66 N -2.45 1.55 0.60 0.55 -1.08 -1.26 -1.11 116.67 113.47 1xrf s ASP 66 Ca 0.00 -0.28 -0.10 0.00 -0.52 0.00 0.00 52.55 51.65 1xrf s ASP 66 Cb 0.00 0.24 -0.04 0.00 -1.46 0.00 0.00 42.92 41.66 1xrf s ASP 66 CO 0.00 -0.33 1.00 -2.16 0.52 0.00 0.00 175.17 174.21 1xrf s PRO 67 N 2.28 3.60 0.00 4.34 0.04 -1.26 -4.92 135.00 139.08 1xrf s PRO 67 Ca 0.06 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1xrf s PRO 67 Cb -0.16 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1xrf s PRO 67 CO -0.11 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.81 1xrf n GLY 68 N -2.69 2.63 2.58 0.56 0.00 -1.13 -1.41 105.19 105.73 1xrf n GLY 68 Ca 0.05 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1xrf n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xrf n GLN 69 N 0.00 1.44 0.01 1.61 6.02 -0.27 -4.89 117.38 121.30 1xrf n GLN 69 Ca 0.00 -3.46 0.07 0.00 -0.01 0.00 0.00 57.00 53.60 1xrf n GLN 69 Cb 0.00 -1.45 0.33 0.00 1.02 0.00 0.00 30.24 30.13 1xrf n GLN 69 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1xrf n THR 70 N -0.07 0.98 0.45 5.09 -2.24 -1.10 -1.16 114.28 116.24 1xrf n THR 70 Ca 0.15 0.25 0.12 0.00 -2.27 0.00 0.00 64.05 62.30 1xrf n THR 70 Cb 0.77 -1.01 0.47 0.00 -2.10 0.00 0.00 70.33 68.46 1xrf n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xrf n TYR 71 N -1.55 0.84 -0.04 4.78 0.18 -1.26 -3.39 117.16 116.72 1xrf n TYR 71 Ca 0.03 0.31 -0.13 0.00 1.88 0.00 0.00 57.90 59.99 1xrf n TYR 71 Cb 0.18 -1.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.00 1xrf n TYR 71 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1xrf n LYS 72 N -2.25 0.68 -3.61 -3.48 5.02 -0.31 -4.85 118.16 109.37 1xrf n LYS 72 Ca 0.03 0.23 -0.05 0.00 -2.02 0.00 0.00 58.31 56.50 1xrf n LYS 72 Cb 0.28 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 1xrf n LYS 72 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1xrf s GLU 73 N -2.56 0.29 0.31 1.97 2.56 -1.22 -3.31 118.70 116.73 1xrf s GLU 73 Ca -0.13 -0.03 0.04 0.00 0.00 0.00 0.00 54.97 54.85 1xrf s GLU 73 Cb 0.07 0.13 -0.03 0.00 2.00 0.00 0.00 34.13 36.31 1xrf s GLU 73 CO 0.79 -0.11 0.28 0.16 -0.56 0.00 0.00 175.26 175.82 1xrf s ASP 74 N -1.61 1.26 0.25 -1.70 1.47 -1.20 -4.03 116.67 111.12 1xrf s ASP 74 Ca 0.07 -1.64 -0.05 0.00 1.18 0.00 0.00 52.55 52.11 1xrf s ASP 74 Cb -0.01 0.54 0.29 0.00 -0.34 0.00 0.00 42.92 43.40 1xrf s ASP 74 CO -0.05 -1.05 1.87 0.40 0.68 0.00 0.00 175.17 177.02 1xrf h ILE 75 N 2.23 1.24 0.43 2.11 2.04 -1.92 -0.10 117.51 123.55 1xrf h ILE 75 Ca -0.27 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 1xrf h ILE 75 Cb 1.24 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1xrf h ILE 75 CO 0.40 0.28 -0.21 -0.08 0.00 0.00 0.00 178.15 178.54 1xrf h GLU 76 N 1.16 -0.56 -0.28 2.37 4.81 -1.96 -0.61 114.58 119.52 1xrf h GLU 76 Ca 0.29 0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.44 1xrf h GLU 76 Cb 0.04 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1xrf h GLU 76 CO -0.04 -0.31 -0.30 0.66 -0.73 0.00 0.00 179.01 178.28 1xrf h SER 77 N -0.70 0.59 -0.46 1.04 4.64 -1.81 -1.57 113.55 115.28 1xrf h SER 77 Ca -0.06 -0.22 -0.08 0.00 -0.47 0.00 0.00 61.79 60.96 1xrf h SER 77 Cb 0.51 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1xrf h SER 77 CO 0.10 0.86 -0.00 1.23 -0.87 0.00 0.00 176.83 178.14 1xrf h GLY 78 N 1.03 0.94 1.35 -0.77 0.00 -1.03 -0.39 103.07 104.19 1xrf h GLY 78 Ca 0.06 -0.65 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 1xrf h GLY 78 CO 0.06 0.60 -0.05 1.76 0.00 0.00 0.00 176.54 178.91 1xrf h SER 79 N 0.81 0.76 -0.24 0.19 0.02 -0.69 -0.03 113.55 114.37 1xrf h SER 79 Ca 0.15 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 1xrf h SER 79 Cb 0.48 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1xrf h SER 79 CO 0.02 0.86 -0.17 0.03 -1.14 0.00 0.00 176.83 176.43 1xrf h ARG 80 N 0.72 0.54 -0.95 3.45 3.08 -0.97 -1.66 114.38 118.59 1xrf h ARG 80 Ca 0.13 -0.26 0.08 0.00 0.07 0.00 0.00 59.98 60.00 1xrf h ARG 80 Cb 0.51 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.49 1xrf h ARG 80 CO 0.03 0.83 0.60 0.00 -1.07 0.00 0.00 179.97 180.35 1xrf h ALA 82 N 1.46 0.27 0.00 0.00 0.00 -0.69 -1.67 119.26 118.62 1xrf h ALA 82 Ca 0.43 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1xrf h ALA 82 Cb 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1xrf h ALA 82 CO -0.20 -0.00 -0.59 -0.39 0.00 0.00 0.00 179.25 178.07 1xrf h VAL 83 N 0.10 1.35 0.00 0.00 -1.51 -1.21 0.25 116.25 115.23 1xrf h VAL 83 Ca 0.05 -2.08 -0.02 0.00 -1.23 0.00 0.00 66.70 63.42 1xrf h VAL 83 Cb 0.42 2.14 -0.00 0.00 -2.13 0.00 0.00 31.29 31.72 1xrf h VAL 83 CO 0.01 0.58 -0.12 0.00 -1.23 0.00 0.00 177.57 176.82 1xrf h ALA 84 N 1.41 1.13 -0.02 5.19 0.00 -1.10 -1.93 119.26 123.94 1xrf h ALA 84 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xrf h ALA 84 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xrf h ALA 84 CO 0.08 0.14 -0.08 0.41 0.00 0.00 0.00 179.25 179.80 1xrf n GLY 85 N -0.35 0.02 0.28 0.00 0.00 -0.58 -4.55 105.19 100.00 1xrf n GLY 85 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1xrf n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xrf n GLY 86 N 1.25 0.63 3.73 -0.02 0.00 -0.72 -4.70 105.19 105.36 1xrf n GLY 86 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1xrf n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xrf s PHE 87 N -2.16 3.57 -0.34 1.61 0.08 -0.03 -2.26 117.98 118.46 1xrf s PHE 87 Ca 0.00 1.08 0.15 0.00 0.12 0.00 0.00 56.93 58.28 1xrf s PHE 87 Cb 0.00 -2.65 -0.20 0.00 -0.57 0.00 0.00 43.02 39.60 1xrf s PHE 87 CO 0.00 0.18 0.47 0.25 -0.10 0.00 0.00 175.22 176.03 1xrf n THR 88 N 3.49 0.00 -3.85 0.64 -2.24 -0.27 -3.63 114.28 108.42 1xrf n THR 88 Ca -0.05 -0.26 -0.17 0.00 -2.27 0.00 0.00 64.05 61.31 1xrf n THR 88 Cb 0.51 0.55 -0.16 0.00 -2.10 0.00 0.00 70.33 69.13 1xrf n THR 88 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xrf s THR 89 N -2.75 0.09 0.07 4.28 2.01 -1.16 -1.35 115.64 116.82 1xrf s THR 89 Ca -0.00 0.16 0.06 0.00 0.31 0.00 0.00 61.69 62.21 1xrf s THR 89 Cb 0.10 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.37 1xrf s THR 89 CO 0.62 0.13 -0.16 0.27 -0.69 0.00 0.00 174.62 174.80 1xrf s ILE 90 N 1.17 1.27 -0.24 1.82 -4.36 0.11 -1.40 121.20 119.56 1xrf s ILE 90 Ca -0.08 -1.31 -0.03 0.00 -0.26 0.00 0.00 60.65 58.97 1xrf s ILE 90 Cb -0.13 -1.19 0.01 0.00 1.25 0.00 0.00 42.46 42.40 1xrf s ILE 90 CO -0.02 -0.14 -0.04 -0.69 0.24 0.00 0.00 174.94 174.29 1xrf s VAL 91 N -1.17 3.21 0.06 8.37 1.01 0.16 -0.40 120.40 131.65 1xrf s VAL 91 Ca 0.01 -0.75 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 1xrf s VAL 91 Cb -0.10 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 1xrf s VAL 91 CO 0.03 0.29 0.44 0.00 0.00 0.00 0.00 175.10 175.86 1xrf s MET 93 N -1.50 3.95 0.00 0.00 -1.94 -0.45 -2.47 119.30 116.89 1xrf s MET 93 Ca 0.30 0.94 0.17 0.00 -1.71 0.00 0.00 55.69 55.38 1xrf s MET 93 Cb -0.16 -2.15 0.51 0.00 2.01 0.00 0.00 34.83 35.05 1xrf s MET 93 CO 0.16 -0.25 1.40 -0.35 -0.01 0.00 0.00 175.02 175.97 1xrf n PRO 94 N -1.53 1.92 -1.07 2.03 -0.04 -1.26 -4.37 135.00 130.67 1xrf n PRO 94 Ca 0.06 -1.41 -0.18 0.00 -0.04 0.00 0.00 63.50 61.94 1xrf n PRO 94 Cb 0.54 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.60 1xrf n PRO 94 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1xrf n ASN 95 N 0.63 6.14 -4.26 3.54 6.94 -1.26 -1.59 115.26 125.40 1xrf n ASN 95 Ca 0.15 -2.94 -0.28 0.00 -0.02 0.00 0.00 54.58 51.48 1xrf n ASN 95 Cb 0.36 -1.19 0.17 0.00 -2.36 0.00 0.00 39.78 36.76 1xrf n ASN 95 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1xrf s THR 96 N -1.47 2.03 -0.19 5.53 -4.23 -1.26 -4.93 115.64 111.12 1xrf s THR 96 Ca 0.43 -0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.79 1xrf s THR 96 Cb 0.28 -2.90 0.06 0.00 1.34 0.00 0.00 72.50 71.27 1xrf s THR 96 CO -0.08 0.00 0.02 0.21 -0.54 0.00 0.00 174.62 174.23 1xrf s ASN 97 N -4.85 2.91 0.65 3.99 2.47 -0.50 -1.30 114.94 118.31 1xrf s ASN 97 Ca 0.72 -0.80 -0.17 0.00 0.42 0.00 0.00 52.86 53.04 1xrf s ASN 97 Cb -0.04 -0.66 -0.00 0.00 -1.45 0.00 0.00 41.25 39.10 1xrf s ASN 97 CO 0.51 -0.29 1.18 -2.16 -3.72 0.00 0.00 177.10 172.62 1xrf s PRO 98 N 1.81 2.67 0.81 0.43 0.04 -1.26 -2.85 135.00 136.65 1xrf s PRO 98 Ca -0.01 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 1xrf s PRO 98 Cb -0.17 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.55 1xrf s PRO 98 CO -0.08 -1.40 1.11 -1.25 0.04 0.00 0.00 177.00 175.42 1xrf s PRO 99 N -3.72 1.89 -1.31 0.56 0.04 -0.42 -4.73 135.00 127.31 1xrf s PRO 99 Ca 0.73 1.30 -0.18 0.00 0.04 0.00 0.00 61.00 62.90 1xrf s PRO 99 Cb -0.27 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.48 1xrf s PRO 99 CO 0.39 -1.94 1.81 -0.89 0.04 0.00 0.00 177.00 176.41 1xrf n ILE 100 N -3.69 3.75 -0.63 0.56 5.41 -0.62 -4.42 119.36 119.71 1xrf n ILE 100 Ca 0.10 -3.83 0.01 0.00 1.00 0.00 0.00 62.75 60.03 1xrf n ILE 100 Cb 0.53 -2.37 0.01 0.00 -0.71 0.00 0.00 39.64 37.10 1xrf n ILE 100 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1xrf n ASP 101 N 8.51 1.11 -3.95 4.38 5.75 -1.26 -1.48 116.55 129.59 1xrf n ASP 101 Ca 0.49 -1.71 -0.09 0.00 -0.01 0.00 0.00 54.79 53.47 1xrf n ASP 101 Cb 0.45 -0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 40.43 1xrf n ASP 101 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1xrf s ASN 102 N -0.78 -0.07 0.45 -1.12 2.20 -1.26 -4.78 114.94 109.58 1xrf s ASN 102 Ca 0.03 -0.86 0.25 0.00 -0.94 0.00 0.00 52.86 51.34 1xrf s ASN 102 Cb 0.02 0.54 0.85 0.00 -2.00 0.00 0.00 41.25 40.66 1xrf s ASN 102 CO 0.00 -1.05 1.79 0.71 -2.94 0.00 0.00 177.10 175.62 1xrf h THR 103 N 2.34 0.36 -0.56 0.54 1.35 -1.97 -2.59 112.91 112.37 1xrf h THR 103 Ca -0.28 -1.07 -0.02 0.00 -0.55 0.00 0.00 66.41 64.49 1xrf h THR 103 Cb 1.25 1.81 -0.03 0.00 -1.73 0.00 0.00 68.15 69.45 1xrf h THR 103 CO 0.40 0.16 0.26 0.74 -0.25 0.00 0.00 175.52 176.83 1xrf h THR 104 N 0.00 1.21 -0.24 6.82 2.02 -1.98 -0.48 112.91 120.26 1xrf h THR 104 Ca -0.00 -0.61 -0.18 0.00 0.77 0.00 0.00 66.41 66.39 1xrf h THR 104 Cb 0.79 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1xrf h THR 104 CO 0.02 0.24 -0.57 0.58 0.37 0.00 0.00 175.52 176.17 1xrf h VAL 105 N 0.76 1.29 -0.06 3.16 2.07 -1.82 -1.18 116.25 120.48 1xrf h VAL 105 Ca 0.19 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.93 1xrf h VAL 105 Cb 0.14 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1xrf h VAL 105 CO -0.02 0.57 0.04 0.58 0.02 0.00 0.00 177.57 178.76 1xrf h VAL 106 N 0.56 1.02 -0.97 2.57 2.07 -1.33 -2.06 116.25 118.11 1xrf h VAL 106 Ca 0.01 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1xrf h VAL 106 Cb 1.15 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 1xrf h VAL 106 CO 0.12 0.02 0.63 -1.13 0.02 0.00 0.00 177.57 177.23 1xrf h ASN 107 N 0.08 1.07 -0.39 0.57 -1.24 -0.99 -1.36 115.58 113.32 1xrf h ASN 107 Ca 0.02 -0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.06 1xrf h ASN 107 Cb -0.01 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.75 1xrf h ASN 107 CO -0.00 0.74 0.15 0.22 -1.29 0.00 0.00 177.43 177.24 1xrf h TYR 108 N 1.24 0.27 -0.39 0.67 3.20 -0.77 0.61 116.97 121.80 1xrf h TYR 108 Ca 0.38 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.18 1xrf h TYR 108 Cb -0.03 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1xrf h TYR 108 CO -0.01 0.11 -0.10 0.82 -1.64 0.00 0.00 178.16 177.35 1xrf h ILE 109 N 0.31 1.28 -0.72 1.81 2.04 -0.65 -1.05 117.51 120.52 1xrf h ILE 109 Ca 0.18 -1.19 -0.06 0.00 1.00 0.00 0.00 64.86 64.79 1xrf h ILE 109 Cb 0.15 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1xrf h ILE 109 CO -0.17 0.40 0.21 -0.07 0.00 0.00 0.00 178.15 178.51 1xrf h LEU 110 N 0.57 1.05 -0.32 1.44 3.38 -1.07 -1.28 115.31 119.08 1xrf h LEU 110 Ca 0.10 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1xrf h LEU 110 Cb 0.62 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1xrf h LEU 110 CO 0.04 0.98 -0.20 1.56 0.09 0.00 0.00 178.44 180.91 1xrf h GLN 111 N 1.07 0.69 -0.58 1.13 1.08 -0.77 -1.26 115.11 116.48 1xrf h GLN 111 Ca 0.23 -0.32 0.05 0.00 -1.45 0.00 0.00 58.65 57.16 1xrf h GLN 111 Cb 0.32 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.69 1xrf h GLN 111 CO -0.00 0.93 0.30 0.87 -0.95 0.00 0.00 178.83 179.98 1xrf h LYS 112 N 0.45 0.56 -0.85 1.46 1.79 -1.07 -1.98 116.57 116.94 1xrf h LYS 112 Ca 0.06 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1xrf h LYS 112 Cb 0.75 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 31.23 1xrf h LYS 112 CO 0.06 0.37 0.40 1.03 -1.08 0.00 0.00 179.45 180.23 1xrf h SER 113 N 0.58 1.11 -0.18 0.86 0.87 -1.14 -0.74 113.55 114.91 1xrf h SER 113 Ca 0.26 -0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 1xrf h SER 113 Cb 0.16 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 1xrf h SER 113 CO -0.17 0.93 -0.12 0.11 -0.53 0.00 0.00 176.83 177.05 1xrf h LYS 114 N 1.21 0.56 -0.01 2.24 1.57 -1.03 -2.14 116.57 118.97 1xrf h LYS 114 Ca 0.29 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 58.75 1xrf h LYS 114 Cb 0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1xrf h LYS 114 CO -0.04 0.67 -0.72 0.66 -0.57 0.00 0.00 179.45 179.45 1xrf h SER 115 N 0.51 0.07 0.01 0.86 4.64 -0.79 -3.19 113.55 115.67 1xrf h SER 115 Ca 0.09 -0.05 -0.20 0.00 -0.47 0.00 0.00 61.79 61.16 1xrf h SER 115 Cb 0.52 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1xrf h SER 115 CO 0.03 0.77 -0.73 0.58 -0.87 0.00 0.00 176.83 176.61 1xrf h VAL 116 N 0.04 1.32 -5.88 0.95 2.07 -0.88 -3.49 116.25 110.38 1xrf h VAL 116 Ca -0.01 -2.01 -0.38 0.00 0.82 0.00 0.00 66.70 65.12 1xrf h VAL 116 Cb 1.27 1.99 0.11 0.00 -1.52 0.00 0.00 31.29 33.14 1xrf h VAL 116 CO 0.10 0.62 -0.78 0.61 0.02 0.00 0.00 177.57 178.14 1xrf n GLY 117 N 0.59 -0.36 1.30 2.17 0.00 -0.83 -4.94 105.19 103.12 1xrf n GLY 117 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1xrf n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xrf n LEU 118 N -4.32 0.15 -4.52 0.99 4.77 -1.26 -5.04 117.00 107.77 1xrf n LEU 118 Ca -0.24 0.05 -0.24 0.00 -0.03 0.00 0.00 56.01 55.55 1xrf n LEU 118 Cb 0.65 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.62 1xrf n LEU 118 CO 0.65 -0.56 -0.44 0.00 -1.33 0.00 0.00 177.39 175.72 1xrf s ARG 120 N -3.46 4.43 -0.22 0.00 3.52 -0.46 -4.94 118.95 117.83 1xrf s ARG 120 Ca 0.29 1.74 -0.05 0.00 -0.13 0.00 0.00 55.73 57.58 1xrf s ARG 120 Cb -0.06 -3.39 -0.02 0.00 -1.56 0.00 0.00 34.95 29.92 1xrf s ARG 120 CO 0.16 -0.27 0.01 0.08 -0.81 0.00 0.00 175.30 174.47 1xrf s VAL 121 N 1.23 3.93 -0.22 7.11 1.01 -1.26 -0.71 120.40 131.49 1xrf s VAL 121 Ca 0.58 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 1xrf s VAL 121 Cb -0.28 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1xrf s VAL 121 CO 0.28 0.40 0.03 -0.76 0.00 0.00 0.00 175.10 175.05 1xrf s LEU 122 N 1.26 3.35 0.46 3.92 1.43 0.47 -4.87 118.68 124.69 1xrf s LEU 122 Ca 0.04 -0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 52.77 1xrf s LEU 122 Cb -0.15 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 44.12 1xrf s LEU 122 CO 0.01 0.03 0.93 -2.16 0.23 0.00 0.00 176.35 175.39 1xrf s PRO 123 N 1.22 4.01 0.25 1.29 0.04 -1.26 -1.48 135.00 139.07 1xrf s PRO 123 Ca 0.04 0.92 0.08 0.00 0.04 0.00 0.00 61.00 62.08 1xrf s PRO 123 Cb -0.15 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1xrf s PRO 123 CO 0.02 -0.14 0.05 0.95 0.04 0.00 0.00 177.00 177.93 1xrf s THR 124 N -2.42 3.79 0.41 1.26 -4.23 -1.03 -1.56 115.64 111.85 1xrf s THR 124 Ca 0.58 -1.68 0.08 0.00 -1.18 0.00 0.00 61.69 59.49 1xrf s THR 124 Cb -0.10 -3.01 -0.01 0.00 1.34 0.00 0.00 72.50 70.72 1xrf s THR 124 CO 0.25 -0.32 0.43 -0.83 -0.54 0.00 0.00 174.62 173.61 1xrf s GLY 125 N -3.60 2.03 0.58 3.99 0.00 -0.25 -4.44 107.32 105.62 1xrf s GLY 125 Ca 0.31 -1.78 -0.11 0.00 0.00 0.00 0.00 44.72 43.14 1xrf s GLY 125 CO 0.21 -1.61 0.98 -0.51 0.00 0.00 0.00 173.10 172.18 1xrf s THR 126 N -2.41 4.72 0.06 0.90 -4.23 -0.55 -1.51 115.64 112.61 1xrf s THR 126 Ca 0.49 0.83 -0.15 0.00 -1.18 0.00 0.00 61.69 61.68 1xrf s THR 126 Cb -0.06 -3.85 -0.23 0.00 1.34 0.00 0.00 72.50 69.70 1xrf s THR 126 CO 0.29 -1.03 1.17 0.40 -0.54 0.00 0.00 174.62 174.92 1xrf h ILE 127 N -0.04 1.31 -2.93 2.99 2.04 -1.83 -3.42 117.51 115.63 1xrf h ILE 127 Ca -0.45 -2.21 -0.63 0.00 1.00 0.00 0.00 64.86 62.58 1xrf h ILE 127 Cb 1.19 2.42 -0.17 0.00 -0.74 0.00 0.00 36.82 39.52 1xrf h ILE 127 CO 0.62 0.68 -0.80 0.42 0.00 0.00 0.00 178.15 179.07 1xrf s THR 128 N -3.30 2.32 0.31 -0.27 -4.23 -1.26 -0.88 115.64 108.33 1xrf s THR 128 Ca -0.11 -2.13 -0.29 0.00 -1.18 0.00 0.00 61.69 57.98 1xrf s THR 128 Cb 0.06 -2.14 -0.11 0.00 1.34 0.00 0.00 72.50 71.65 1xrf s THR 128 CO 0.90 -0.22 1.53 -0.54 -0.54 0.00 0.00 174.62 175.75 1xrf s LYS 129 N -2.93 4.15 -0.75 3.99 -0.14 0.15 -0.81 119.74 123.40 1xrf s LYS 129 Ca 0.23 2.52 0.00 0.00 -1.36 0.00 0.00 55.97 57.35 1xrf s LYS 129 Cb -0.07 -3.03 0.00 0.00 -1.68 0.00 0.00 37.83 33.06 1xrf s LYS 129 CO 0.11 -0.56 0.00 0.41 -0.76 0.00 0.00 175.35 174.55 1xrf n GLY 130 N 1.74 0.67 2.81 -3.33 0.00 -1.26 -1.52 105.19 104.30 1xrf n GLY 130 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1xrf n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xrf n ARG 131 N -0.50 -2.71 0.08 1.61 1.74 0.01 -4.91 116.66 111.98 1xrf n ARG 131 Ca -0.07 0.42 0.12 0.00 -0.77 0.00 0.00 57.85 57.55 1xrf n ARG 131 Cb 0.44 -5.03 0.24 0.00 -1.02 0.00 0.00 32.46 27.09 1xrf n ARG 131 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1xrf h LYS 132 N -0.33 0.00 0.00 5.56 1.79 -1.46 -3.48 116.57 118.65 1xrf h LYS 132 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1xrf h LYS 132 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1xrf h LYS 132 CO 0.35 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.13 1xrf n GLY 133 N 1.31 0.72 0.31 3.86 0.00 -1.26 -4.92 105.19 105.22 1xrf n GLY 133 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1xrf n GLY 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xrf n LYS 134 N -2.11 0.46 -4.59 1.61 4.76 -1.26 -4.83 118.16 112.20 1xrf n LYS 134 Ca 0.00 0.19 -0.33 0.00 -2.87 0.00 0.00 58.31 55.30 1xrf n LYS 134 Cb 0.00 -1.28 -0.16 0.00 -1.84 0.00 0.00 35.03 31.75 1xrf n LYS 134 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1xrf s GLU 135 N -2.39 3.07 0.26 1.97 2.12 -1.26 -5.02 118.70 117.44 1xrf s GLU 135 Ca -0.30 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 53.91 1xrf s GLU 135 Cb 0.11 -2.50 -0.09 0.00 0.26 0.00 0.00 34.13 31.91 1xrf s GLU 135 CO 0.39 -0.02 1.30 -1.50 -0.54 0.00 0.00 175.26 174.88 1xrf s ILE 136 N 0.86 3.02 0.98 -3.70 2.07 -1.26 -0.68 121.20 122.49 1xrf s ILE 136 Ca -0.06 0.92 -0.12 0.00 -1.41 0.00 0.00 60.65 59.98 1xrf s ILE 136 Cb -0.15 -3.58 0.18 0.00 0.13 0.00 0.00 42.46 39.03 1xrf s ILE 136 CO -0.02 0.18 1.10 0.00 -1.91 0.00 0.00 174.94 174.28 1xrf s ALA 137 N -0.47 1.08 -1.21 1.50 0.00 -0.06 -4.64 121.76 117.96 1xrf s ALA 137 Ca 0.53 -0.34 -0.15 0.00 0.00 0.00 0.00 51.96 51.99 1xrf s ALA 137 Cb -0.38 -3.12 0.14 0.00 0.00 0.00 0.00 23.12 19.77 1xrf s ALA 137 CO 0.44 -2.74 1.49 0.34 0.00 0.00 0.00 175.76 175.29 1xrf s ASP 138 N -3.50 6.97 0.27 0.00 -1.08 -1.26 -4.83 116.67 113.24 1xrf s ASP 138 Ca 0.65 -2.75 -0.01 0.00 -0.52 0.00 0.00 52.55 49.93 1xrf s ASP 138 Cb -0.18 -2.45 0.47 0.00 -1.46 0.00 0.00 42.92 39.30 1xrf s ASP 138 CO 0.57 -0.90 1.87 -0.26 0.52 0.00 0.00 175.17 176.97 1xrf h PHE 139 N 7.46 1.18 -0.29 -5.34 -1.00 -1.93 -1.39 116.94 115.62 1xrf h PHE 139 Ca 0.33 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 61.12 1xrf h PHE 139 Cb 0.89 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 1xrf h PHE 139 CO 1.19 0.56 0.06 -0.92 -1.61 0.00 0.00 178.31 177.60 1xrf h TYR 140 N 1.10 0.49 -0.52 -0.55 5.03 -1.97 0.22 116.97 120.76 1xrf h TYR 140 Ca 0.46 -0.06 -0.04 0.00 2.58 0.00 0.00 58.73 61.67 1xrf h TYR 140 Cb 0.29 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 1xrf h TYR 140 CO -0.00 0.54 0.17 0.77 -1.32 0.00 0.00 178.16 178.32 1xrf h SER 141 N 0.30 0.75 -0.51 -2.11 0.02 -1.92 -1.09 113.55 108.99 1xrf h SER 141 Ca 0.09 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1xrf h SER 141 Cb 0.30 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1xrf h SER 141 CO 0.00 0.75 0.19 -0.07 -1.14 0.00 0.00 176.83 176.56 1xrf h LEU 142 N 0.71 0.71 -0.55 5.07 3.38 -1.00 -1.71 115.31 121.91 1xrf h LEU 142 Ca 0.17 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1xrf h LEU 142 Cb 0.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1xrf h LEU 142 CO -0.01 0.69 0.23 0.50 0.09 0.00 0.00 178.44 179.95 1xrf h LYS 143 N 0.68 0.81 0.00 1.13 3.64 -0.47 -1.17 116.57 121.20 1xrf h LYS 143 Ca 0.17 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1xrf h LYS 143 Cb 0.21 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1xrf h LYS 143 CO -0.01 0.70 -0.17 0.93 -2.27 0.00 0.00 179.45 178.62 1xrf h GLU 144 N 0.75 0.00 0.00 1.90 4.39 -1.02 -1.77 114.58 118.82 1xrf h GLU 144 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1xrf h GLU 144 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1xrf h GLU 144 CO -0.02 0.17 0.00 0.00 -1.16 0.00 0.00 179.01 178.00 1xrf h ALA 145 N 1.83 1.00 0.00 3.43 0.00 -0.88 -3.47 119.26 121.17 1xrf h ALA 145 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xrf h ALA 145 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xrf h ALA 145 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1xrf n GLY 146 N 1.19 -0.19 3.77 0.00 0.00 -0.67 -4.86 105.19 104.44 1xrf n GLY 146 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1xrf n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xrf n VAL 148 N 0.45 0.00 -3.80 0.00 0.24 -0.60 -4.49 118.33 110.12 1xrf n VAL 148 Ca 0.02 -0.28 -0.05 0.00 -2.04 0.00 0.00 64.34 62.00 1xrf n VAL 148 Cb 0.45 1.02 -0.01 0.00 -1.47 0.00 0.00 33.84 33.84 1xrf n VAL 148 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xrf s ALA 149 N -1.88 -1.44 -0.01 2.33 0.00 -1.26 -4.31 121.76 115.19 1xrf s ALA 149 Ca 0.05 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 51.88 1xrf s ALA 149 Cb 0.08 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.91 1xrf s ALA 149 CO 0.40 -1.04 -0.05 -0.06 0.00 0.00 0.00 175.76 175.01 1xrf s PHE 150 N -3.20 0.49 0.03 0.00 0.08 -0.97 -1.09 117.98 113.32 1xrf s PHE 150 Ca 0.14 -0.09 -0.25 0.00 0.12 0.00 0.00 56.93 56.84 1xrf s PHE 150 Cb -0.03 -0.34 0.06 0.00 -0.57 0.00 0.00 43.02 42.14 1xrf s PHE 150 CO 0.05 -0.03 0.59 -0.08 -0.10 0.00 0.00 175.22 175.64 1xrf s THR 151 N 0.04 0.01 -1.29 0.64 -1.32 -0.57 -0.96 115.64 112.19 1xrf s THR 151 Ca 0.00 -0.12 0.19 0.00 -1.21 0.00 0.00 61.69 60.56 1xrf s THR 151 Cb -0.04 -0.98 0.73 0.00 -1.51 0.00 0.00 72.50 70.70 1xrf s THR 151 CO -0.00 -0.06 1.63 0.47 -2.21 0.00 0.00 174.62 174.45 1xrf n ASP 152 N 0.47 4.71 0.00 8.08 8.00 -1.26 -2.64 116.55 133.91 1xrf n ASP 152 Ca -0.18 -2.38 0.00 0.00 0.71 0.00 0.00 54.79 52.94 1xrf n ASP 152 Cb 0.60 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1xrf n ASP 152 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xrf n ASP 153 N 1.26 0.00 0.00 -2.24 -0.08 -1.26 -2.88 116.55 111.34 1xrf n ASP 153 Ca 0.26 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 1xrf n ASP 153 Cb 0.86 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.32 1xrf n ASP 153 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xrf n GLY 154 N 0.00 3.21 2.98 0.27 0.00 -1.26 -4.46 105.19 105.92 1xrf n GLY 154 Ca 0.00 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 1xrf n GLY 154 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xrf s SER 155 N 0.00 2.39 0.57 1.61 1.04 -1.14 -5.13 113.70 113.04 1xrf s SER 155 Ca 0.00 -0.39 -0.21 0.00 0.48 0.00 0.00 55.95 55.83 1xrf s SER 155 Cb 0.00 -1.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.07 1xrf s SER 155 CO 0.00 -0.07 1.23 -0.81 0.98 0.00 0.00 173.24 174.57 1xrf n PRO 156 N 4.70 1.38 -2.06 4.02 -0.04 -1.26 -4.62 135.00 137.12 1xrf n PRO 156 Ca -0.16 0.52 -0.42 0.00 -0.04 0.00 0.00 63.50 63.40 1xrf n PRO 156 Cb 0.50 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 1xrf n PRO 156 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xrf s VAL 157 N -1.35 2.94 -0.22 0.52 1.01 -1.26 -4.92 120.40 117.12 1xrf s VAL 157 Ca 0.74 0.70 -0.06 0.00 0.00 0.00 0.00 61.98 63.37 1xrf s VAL 157 Cb -0.42 -3.45 -0.19 0.00 0.00 0.00 0.00 36.38 32.32 1xrf s VAL 157 CO 0.48 0.07 -0.04 0.23 0.00 0.00 0.00 175.10 175.83 1xrf n MET 158 N 3.57 0.66 -2.74 2.72 2.81 -1.26 -4.91 117.12 117.97 1xrf n MET 158 Ca 0.11 0.24 -0.42 0.00 -1.81 0.00 0.00 57.70 55.82 1xrf n MET 158 Cb 0.41 -1.59 -0.03 0.00 -0.71 0.00 0.00 33.22 31.30 1xrf n MET 158 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1xrf s ASP 159 N -6.87 7.10 0.54 7.83 2.15 -1.26 -4.91 116.67 121.25 1xrf s ASP 159 Ca -0.32 1.36 0.26 0.00 0.43 0.00 0.00 52.55 54.28 1xrf s ASP 159 Cb 0.09 -2.52 1.54 0.00 -0.30 0.00 0.00 42.92 41.73 1xrf s ASP 159 CO 0.63 -0.52 2.14 0.28 -0.17 0.00 0.00 175.17 177.53 1xrf h SER 160 N 7.31 0.00 0.38 -0.34 0.02 -1.99 -2.02 113.55 116.91 1xrf h SER 160 Ca -0.26 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.50 1xrf h SER 160 Cb 1.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 1xrf h SER 160 CO 0.89 0.07 -0.78 0.77 -1.14 0.00 0.00 176.83 176.65 1xrf h SER 161 N 0.00 0.39 -0.16 3.07 4.64 -1.99 -1.06 113.55 118.44 1xrf h SER 161 Ca -0.00 -0.27 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 1xrf h SER 161 Cb 0.17 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1xrf h SER 161 CO 0.01 1.02 -0.06 0.58 -0.87 0.00 0.00 176.83 177.51 1xrf h VAL 162 N 0.20 1.30 -0.63 0.95 2.07 -1.78 -2.42 116.25 115.95 1xrf h VAL 162 Ca -0.04 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1xrf h VAL 162 Cb 1.37 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 1xrf h VAL 162 CO 0.13 0.32 0.32 -0.03 0.02 0.00 0.00 177.57 178.32 1xrf h MET 163 N 0.01 0.88 -0.28 1.57 -1.53 -1.35 -1.13 114.93 113.10 1xrf h MET 163 Ca 0.04 -0.10 -0.17 0.00 -3.44 0.00 0.00 59.70 56.03 1xrf h MET 163 Cb 0.52 -0.17 -0.00 0.00 -0.55 0.00 0.00 31.60 31.39 1xrf h MET 163 CO 0.02 0.67 -0.48 -0.09 0.14 0.00 0.00 176.91 177.17 1xrf h ARG 164 N 0.88 0.82 -0.81 0.39 2.43 -1.14 -1.05 114.38 115.90 1xrf h ARG 164 Ca 0.22 -0.51 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 1xrf h ARG 164 Cb 0.06 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 1xrf h ARG 164 CO -0.03 1.14 0.48 0.87 -1.51 0.00 0.00 179.97 180.92 1xrf h LYS 165 N 0.59 1.11 -0.42 0.20 1.57 -1.18 -1.23 116.57 117.20 1xrf h LYS 165 Ca 0.02 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1xrf h LYS 165 Cb 1.08 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1xrf h LYS 165 CO 0.11 0.79 0.06 0.00 -0.57 0.00 0.00 179.45 179.83 1xrf h ALA 166 N 1.26 0.57 -0.22 3.86 0.00 -0.97 -2.01 119.26 121.75 1xrf h ALA 166 Ca 0.29 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1xrf h ALA 166 Cb -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1xrf h ALA 166 CO -0.05 0.30 -0.23 -0.07 0.00 0.00 0.00 179.25 179.20 1xrf h LEU 167 N 0.56 0.40 -0.35 0.00 3.38 -0.99 0.13 115.31 118.45 1xrf h LEU 167 Ca 0.13 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1xrf h LEU 167 Cb 0.40 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1xrf h LEU 167 CO 0.01 0.63 0.11 -0.33 0.09 0.00 0.00 178.44 178.95 1xrf h GLU 168 N 0.36 0.54 -0.21 1.13 5.08 -0.95 0.54 114.58 121.07 1xrf h GLU 168 Ca 0.06 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1xrf h GLU 168 Cb 0.60 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1xrf h GLU 168 CO 0.04 0.56 0.05 -0.07 -1.00 0.00 0.00 179.01 178.59 1xrf h LEU 169 N 0.41 0.33 -0.89 1.33 3.38 -1.14 -2.35 115.31 116.37 1xrf h LEU 169 Ca 0.11 -0.24 0.13 0.00 0.09 0.00 0.00 57.88 57.97 1xrf h LEU 169 Cb 0.25 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 1xrf h LEU 169 CO -0.00 0.48 0.50 0.00 0.09 0.00 0.00 178.44 179.51 1xrf h ALA 170 N 0.86 1.34 -0.36 1.53 0.00 -0.69 -1.81 119.26 120.12 1xrf h ALA 170 Ca 0.07 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1xrf h ALA 170 Cb 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1xrf h ALA 170 CO 0.00 0.02 -0.05 0.66 0.00 0.00 0.00 179.25 179.89 1xrf h SER 171 N 0.75 0.56 -0.15 0.00 4.64 -0.48 -0.89 113.55 117.99 1xrf h SER 171 Ca 0.47 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.55 1xrf h SER 171 Cb 0.58 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1xrf h SER 171 CO -0.32 0.66 -0.27 1.56 -0.87 0.00 0.00 176.83 177.59 1xrf h GLN 172 N 0.55 0.62 -0.00 4.77 4.20 -0.87 -3.18 115.11 121.20 1xrf h GLN 172 Ca 0.11 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1xrf h GLN 172 Cb 0.42 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1xrf h GLN 172 CO 0.02 0.83 -0.49 1.28 -0.67 0.00 0.00 178.83 179.79 1xrf n LEU 173 N -4.10 0.52 -1.90 1.46 4.77 -0.75 -4.98 117.00 112.03 1xrf n LEU 173 Ca -0.00 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.83 1xrf n LEU 173 Cb 0.44 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1xrf n LEU 173 CO 0.44 0.13 -0.01 0.61 -1.33 0.00 0.00 177.39 177.22 1xrf n GLY 174 N 1.49 -0.06 3.35 -0.72 0.00 -0.37 -5.05 105.19 103.83 1xrf n GLY 174 Ca 0.06 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1xrf n GLY 174 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xrf s VAL 175 N -2.90 1.93 0.56 1.61 -7.23 -1.09 -4.92 120.40 108.35 1xrf s VAL 175 Ca 0.17 -1.90 -0.12 0.00 -1.81 0.00 0.00 61.98 58.32 1xrf s VAL 175 Cb -0.08 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 1xrf s VAL 175 CO 0.21 -0.24 0.98 -2.16 -0.31 0.00 0.00 175.10 173.59 1xrf s PRO 176 N -2.66 3.73 -0.15 4.82 0.04 -1.26 -4.53 135.00 134.98 1xrf s PRO 176 Ca 0.16 0.77 -0.06 0.00 0.04 0.00 0.00 61.00 61.90 1xrf s PRO 176 Cb -0.07 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1xrf s PRO 176 CO 0.07 -0.41 0.07 0.42 0.04 0.00 0.00 177.00 177.19 1xrf s ILE 177 N -2.92 4.92 -0.12 0.56 -1.09 -0.48 -2.30 121.20 119.78 1xrf s ILE 177 Ca 0.56 0.00 -0.04 0.00 -2.23 0.00 0.00 60.65 58.94 1xrf s ILE 177 Cb -0.11 -3.18 -0.03 0.00 -1.58 0.00 0.00 42.46 37.56 1xrf s ILE 177 CO 0.44 0.52 0.01 -0.04 -1.23 0.00 0.00 174.94 174.65 1xrf s MET 178 N -0.20 3.36 0.04 2.79 -1.94 -0.14 -0.35 119.30 122.86 1xrf s MET 178 Ca 0.08 -0.41 0.03 0.00 -1.71 0.00 0.00 55.69 53.69 1xrf s MET 178 Cb -0.12 -2.92 -0.02 0.00 2.01 0.00 0.00 34.83 33.78 1xrf s MET 178 CO 0.01 0.51 -0.11 0.34 -0.01 0.00 0.00 175.02 175.77 1xrf s ASP 179 N -0.35 1.22 0.09 3.03 2.15 -0.38 -4.41 116.67 118.02 1xrf s ASP 179 Ca 0.07 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 52.56 1xrf s ASP 179 Cb -0.12 -0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.47 1xrf s ASP 179 CO 0.02 -0.09 0.00 1.57 -0.17 0.00 0.00 175.17 176.50 1xrf n HIS 180 N 1.69 -1.77 0.00 -5.34 -0.00 -1.26 -1.24 115.22 107.30 1xrf n HIS 180 Ca -0.20 0.16 0.00 0.00 0.46 0.00 0.00 57.72 58.13 1xrf n HIS 180 Cb 0.55 -0.27 0.00 0.00 -0.12 0.00 0.00 29.99 30.15 1xrf n HIS 180 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1xrf n ALA 209 N -0.67 0.00 0.03 1.57 0.00 -1.26 -4.59 120.51 115.59 1xrf n ALA 209 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1xrf n ALA 209 Cb 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 1xrf n ALA 209 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xrf h GLU 210 N 0.00 -0.02 -0.62 0.00 4.81 -1.99 -1.81 114.58 114.95 1xrf h GLU 210 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1xrf h GLU 210 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1xrf h GLU 210 CO 0.00 0.10 0.36 0.93 -0.73 0.00 0.00 179.01 179.67 1xrf h GLU 211 N -0.13 0.86 -0.70 1.92 3.07 -1.98 -1.32 114.58 116.29 1xrf h GLU 211 Ca -0.00 -0.09 -0.06 0.00 -0.50 0.00 0.00 59.36 58.71 1xrf h GLU 211 Cb 0.12 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 27.83 1xrf h GLU 211 CO 0.00 0.63 0.19 0.82 -1.40 0.00 0.00 179.01 179.26 1xrf h ILE 212 N 0.84 1.26 -0.61 3.13 2.04 -1.98 -1.14 117.51 121.06 1xrf h ILE 212 Ca 0.22 -0.93 -0.08 0.00 1.00 0.00 0.00 64.86 65.07 1xrf h ILE 212 Cb 0.01 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1xrf h ILE 212 CO -0.04 0.36 0.05 -0.61 0.00 0.00 0.00 178.15 177.91 1xrf h GLN 213 N 1.04 1.04 -0.36 2.37 4.15 -0.75 -0.45 115.11 122.15 1xrf h GLN 213 Ca 0.22 -0.30 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 1xrf h GLN 213 Cb 0.34 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1xrf h GLN 213 CO -0.00 0.99 0.07 0.82 -1.93 0.00 0.00 178.83 178.78 1xrf h ILE 214 N 0.94 1.23 -0.61 2.39 2.04 -1.06 -0.92 117.51 121.52 1xrf h ILE 214 Ca 0.18 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.26 1xrf h ILE 214 Cb 0.49 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 1xrf h ILE 214 CO 0.02 0.27 0.38 0.00 0.00 0.00 0.00 178.15 178.83 1xrf h ALA 215 N 0.92 0.79 -0.31 1.87 0.00 -1.06 -0.39 119.26 121.08 1xrf h ALA 215 Ca 0.11 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xrf h ALA 215 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1xrf h ALA 215 CO 0.00 0.13 0.19 -0.09 0.00 0.00 0.00 179.25 179.49 1xrf h ARG 216 N 0.76 0.38 -0.59 0.00 2.43 -0.79 -1.10 114.38 115.47 1xrf h ARG 216 Ca 0.24 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1xrf h ARG 216 Cb 0.00 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1xrf h ARG 216 CO -0.09 0.25 0.32 -0.44 -1.51 0.00 0.00 179.97 178.50 1xrf h ASP 217 N 0.39 0.73 -0.36 -3.80 3.32 -0.86 -0.18 116.42 115.66 1xrf h ASP 217 Ca 0.12 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1xrf h ASP 217 Cb -0.02 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1xrf h ASP 217 CO -0.04 0.62 0.18 1.23 -1.72 0.00 0.00 179.24 179.51 1xrf h GLY 218 N 0.79 0.54 0.77 2.75 0.00 -0.84 1.00 103.07 108.08 1xrf h GLY 218 Ca 0.21 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.30 1xrf h GLY 218 CO -0.03 0.25 0.08 -2.22 0.00 0.00 0.00 176.54 174.61 1xrf h ILE 219 N 0.44 0.92 -0.40 2.60 2.04 -0.97 -0.15 117.51 121.99 1xrf h ILE 219 Ca 0.12 -0.06 -0.08 0.00 1.00 0.00 0.00 64.86 65.84 1xrf h ILE 219 Cb 0.10 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1xrf h ILE 219 CO -0.02 0.03 -0.07 -0.07 0.00 0.00 0.00 178.15 178.02 1xrf h LEU 220 N 0.19 0.66 -0.91 1.44 3.38 -0.94 -1.99 115.31 117.14 1xrf h LEU 220 Ca 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1xrf h LEU 220 Cb 0.09 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1xrf h LEU 220 CO -0.13 0.78 0.44 0.00 0.09 0.00 0.00 178.44 179.62 1xrf h ALA 221 N 1.29 1.15 -0.36 1.53 0.00 -0.55 -0.66 119.26 121.67 1xrf h ALA 221 Ca 0.12 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1xrf h ALA 221 Cb 0.50 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1xrf h ALA 221 CO 0.03 0.66 -0.07 0.37 0.00 0.00 0.00 179.25 180.24 1xrf h GLN 222 N 1.22 0.68 -0.05 0.00 4.15 -0.73 -0.69 115.11 119.69 1xrf h GLN 222 Ca 0.30 -0.25 -0.13 0.00 0.77 0.00 0.00 58.65 59.34 1xrf h GLN 222 Cb 0.07 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1xrf h GLN 222 CO -0.04 0.83 -0.57 0.00 -1.93 0.00 0.00 178.83 177.11 1xrf h ARG 223 N 0.48 0.17 0.00 1.69 2.47 -1.16 -3.22 114.38 114.80 1xrf h ARG 223 Ca 0.09 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1xrf h ARG 223 Cb 0.57 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1xrf h ARG 223 CO 0.03 0.69 -1.19 0.25 0.56 0.00 0.00 179.97 180.31 1xrf n THR 224 N -3.89 0.48 -0.94 2.04 -2.24 -0.27 -4.96 114.28 104.50 1xrf n THR 224 Ca -0.02 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1xrf n THR 224 Cb 0.59 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1xrf n THR 224 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xrf n GLY 225 N 1.20 0.44 3.83 3.38 0.00 -0.27 -4.85 105.19 108.91 1xrf n GLY 225 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1xrf n GLY 225 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xrf s GLY 226 N -2.00 1.66 -0.21 -0.02 0.00 -1.17 -4.84 107.32 100.73 1xrf s GLY 226 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 44.72 44.65 1xrf s GLY 226 CO 0.00 0.32 0.05 -1.58 0.00 0.00 0.00 173.10 171.89 1xrf s HIS 227 N -3.09 3.12 -0.09 1.90 2.46 -1.26 -4.49 115.29 113.83 1xrf s HIS 227 Ca 0.58 -0.26 0.01 0.00 0.47 0.00 0.00 55.06 55.86 1xrf s HIS 227 Cb -0.13 -2.14 -0.02 0.00 -0.13 0.00 0.00 32.58 30.15 1xrf s HIS 227 CO 0.55 -0.15 -0.12 0.54 -2.47 0.00 0.00 174.74 173.08 1xrf s VAL 228 N 1.03 3.19 -0.19 0.89 0.11 -0.73 -1.38 120.40 123.32 1xrf s VAL 228 Ca 0.03 -0.65 -0.01 0.00 -2.93 0.00 0.00 61.98 58.42 1xrf s VAL 228 Cb -0.14 -2.30 -0.00 0.00 -1.53 0.00 0.00 36.38 32.41 1xrf s VAL 228 CO 0.03 0.56 -0.12 -2.28 -3.33 0.00 0.00 175.10 169.96 1xrf s HIS 229 N -0.26 2.86 -0.22 1.54 2.46 0.52 -1.83 115.29 120.36 1xrf s HIS 229 Ca 0.02 -1.11 -0.17 0.00 0.47 0.00 0.00 55.06 54.26 1xrf s HIS 229 Cb -0.13 -1.98 -0.03 0.00 -0.13 0.00 0.00 32.58 30.30 1xrf s HIS 229 CO 0.03 -0.57 0.48 0.42 -2.47 0.00 0.00 174.74 172.63 1xrf s ILE 230 N 1.17 5.12 -0.20 0.89 -1.09 0.20 -1.25 121.20 126.04 1xrf s ILE 230 Ca 0.02 0.86 0.22 0.00 -2.23 0.00 0.00 60.65 59.51 1xrf s ILE 230 Cb -0.14 -3.80 -0.05 0.00 -1.58 0.00 0.00 42.46 36.88 1xrf s ILE 230 CO -0.04 0.17 0.95 0.00 -1.23 0.00 0.00 174.94 174.79 1xrf n GLN 231 N 4.96 0.61 -3.71 2.79 6.02 -0.37 -2.75 117.38 124.93 1xrf n GLN 231 Ca -0.06 0.10 -0.19 0.00 -0.01 0.00 0.00 57.00 56.84 1xrf n GLN 231 Cb 0.50 -1.79 -0.17 0.00 1.02 0.00 0.00 30.24 29.80 1xrf n GLN 231 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1xrf s HIS 232 N -3.33 0.10 -0.05 1.08 2.46 -1.26 -4.75 115.29 109.52 1xrf s HIS 232 Ca -0.02 0.20 0.01 0.00 0.47 0.00 0.00 55.06 55.72 1xrf s HIS 232 Cb 0.10 -0.44 0.02 0.00 -0.13 0.00 0.00 32.58 32.13 1xrf s HIS 232 CO 0.81 -0.17 -0.07 0.14 -2.47 0.00 0.00 174.74 172.98 1xrf s VAL 233 N 1.87 0.72 0.00 0.89 -7.23 -1.26 -5.02 120.40 110.36 1xrf s VAL 233 Ca 0.01 -0.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.97 1xrf s VAL 233 Cb -0.12 -0.72 0.00 0.00 0.56 0.00 0.00 36.38 36.10 1xrf s VAL 233 CO -0.03 0.27 0.16 -1.54 -0.31 0.00 0.00 175.10 173.65 1xrf n SER 234 N 4.08 0.32 -4.19 4.85 3.41 -1.26 -4.96 113.62 115.88 1xrf n SER 234 Ca -0.23 -0.80 -0.14 0.00 -0.26 0.00 0.00 58.87 57.44 1xrf n SER 234 Cb 0.51 0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.46 1xrf n SER 234 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xrf s THR 235 N -0.11 0.94 0.17 6.66 -4.23 -1.26 0.32 115.64 118.13 1xrf s THR 235 Ca 0.00 -1.75 -0.13 0.00 -1.18 0.00 0.00 61.69 58.63 1xrf s THR 235 Cb 0.00 -1.48 0.07 0.00 1.34 0.00 0.00 72.50 72.43 1xrf s THR 235 CO 0.00 -0.63 1.77 0.50 -0.54 0.00 0.00 174.62 175.72 1xrf h LYS 236 N 3.35 0.80 -0.94 3.99 3.64 -1.91 -2.14 116.57 123.36 1xrf h LYS 236 Ca -0.37 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1xrf h LYS 236 Cb 1.19 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 1xrf h LYS 236 CO 0.56 0.63 0.57 1.25 -2.27 0.00 0.00 179.45 180.19 1xrf h LEU 237 N 0.77 1.12 -0.29 5.20 5.85 -1.99 -0.53 115.31 125.45 1xrf h LEU 237 Ca 0.20 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1xrf h LEU 237 Cb 0.07 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1xrf h LEU 237 CO -0.03 0.85 0.02 0.28 -0.34 0.00 0.00 178.44 179.23 1xrf h SER 238 N 1.29 -0.06 -0.68 1.25 0.02 -1.85 -0.76 113.55 112.77 1xrf h SER 238 Ca 0.34 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.32 1xrf h SER 238 Cb -0.07 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1xrf h SER 238 CO -0.06 0.00 0.31 -0.07 -1.14 0.00 0.00 176.83 175.87 1xrf h LEU 239 N 0.11 0.90 -1.04 5.07 3.38 -0.73 -1.94 115.31 121.06 1xrf h LEU 239 Ca 0.14 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1xrf h LEU 239 Cb 0.17 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1xrf h LEU 239 CO -0.21 0.79 0.29 -0.33 0.09 0.00 0.00 178.44 179.07 1xrf h GLU 240 N 0.94 0.97 -0.34 1.13 5.08 -0.82 -0.04 114.58 121.51 1xrf h GLU 240 Ca 0.23 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1xrf h GLU 240 Cb 0.14 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1xrf h GLU 240 CO -0.03 0.78 0.04 0.82 -1.00 0.00 0.00 179.01 179.62 1xrf h ILE 241 N 0.96 1.24 -0.42 3.13 2.04 -0.86 -0.27 117.51 123.32 1xrf h ILE 241 Ca 0.23 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.24 1xrf h ILE 241 Cb 0.15 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1xrf h ILE 241 CO -0.02 0.29 0.28 0.40 0.00 0.00 0.00 178.15 179.09 1xrf h ILE 242 N 0.40 1.10 -0.77 -0.67 2.04 -1.03 -1.61 117.51 116.98 1xrf h ILE 242 Ca 0.10 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 1xrf h ILE 242 Cb 0.37 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1xrf h ILE 242 CO 0.01 0.10 0.30 -0.08 0.00 0.00 0.00 178.15 178.48 1xrf h GLU 243 N 0.57 1.15 -0.26 2.37 4.57 -0.84 -0.78 114.58 121.36 1xrf h GLU 243 Ca 0.16 -0.21 0.06 0.00 -1.18 0.00 0.00 59.36 58.19 1xrf h GLU 243 Cb -0.06 -0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 28.27 1xrf h GLU 243 CO -0.04 0.94 -0.24 0.35 -1.18 0.00 0.00 179.01 178.84 1xrf h PHE 244 N 1.11 -0.63 -0.69 0.92 3.57 -0.71 -0.87 116.94 119.65 1xrf h PHE 244 Ca 0.25 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 1xrf h PHE 244 Cb 0.22 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1xrf h PHE 244 CO 0.02 -0.31 0.28 0.74 -2.23 0.00 0.00 178.31 176.81 1xrf h PHE 245 N -0.23 1.05 -0.75 0.41 0.04 -0.71 -2.67 116.94 114.07 1xrf h PHE 245 Ca 0.14 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1xrf h PHE 245 Cb 0.46 -0.32 -0.04 0.00 2.20 0.00 0.00 35.95 38.25 1xrf h PHE 245 CO -0.40 0.81 0.48 0.87 -0.60 0.00 0.00 178.31 179.47 1xrf h LYS 246 N 0.98 1.00 -0.13 1.51 1.57 -0.93 -1.55 116.57 119.02 1xrf h LYS 246 Ca 0.23 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1xrf h LYS 246 Cb 0.20 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1xrf h LYS 246 CO -0.02 0.68 0.03 0.93 -0.57 0.00 0.00 179.45 180.50 1xrf h GLU 247 N 1.02 0.18 -0.01 3.15 5.08 -0.98 -2.21 114.58 120.82 1xrf h GLU 247 Ca 0.27 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1xrf h GLU 247 Cb -0.09 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1xrf h GLU 247 CO -0.06 0.17 -0.02 1.63 -1.00 0.00 0.00 179.01 179.73 1xrf n LYS 248 N -4.46 1.20 -0.69 2.33 4.76 -0.93 -4.92 118.16 115.46 1xrf n LYS 248 Ca -0.01 -0.43 0.00 0.00 -2.87 0.00 0.00 58.31 55.00 1xrf n LYS 248 Cb 0.13 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 1xrf n LYS 248 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xrf n GLY 249 N 1.13 0.61 3.77 0.72 0.00 -0.83 -5.04 105.19 105.55 1xrf n GLY 249 Ca 0.20 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1xrf n GLY 249 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xrf s VAL 250 N -2.00 3.57 -1.28 1.61 1.01 -0.63 -4.94 120.40 117.74 1xrf s VAL 250 Ca 0.00 1.33 -0.16 0.00 0.00 0.00 0.00 61.98 63.14 1xrf s VAL 250 Cb 0.00 -3.75 0.10 0.00 0.00 0.00 0.00 36.38 32.74 1xrf s VAL 250 CO 0.00 0.13 1.68 0.29 0.00 0.00 0.00 175.10 177.20 1xrf n LYS 251 N 0.33 3.25 -4.45 2.72 5.02 -1.26 -4.39 118.16 119.37 1xrf n LYS 251 Ca 0.03 -3.43 -0.21 0.00 -2.02 0.00 0.00 58.31 52.68 1xrf n LYS 251 Cb 0.48 -3.32 -0.16 0.00 -0.02 0.00 0.00 35.03 32.01 1xrf n LYS 251 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1xrf s ILE 252 N 3.19 0.87 0.24 -0.18 2.07 -1.26 -1.78 121.20 124.35 1xrf s ILE 252 Ca 0.50 -0.40 0.02 0.00 -1.41 0.00 0.00 60.65 59.35 1xrf s ILE 252 Cb 0.03 -0.77 -0.05 0.00 0.13 0.00 0.00 42.46 41.80 1xrf s ILE 252 CO 0.04 0.27 0.07 0.42 -1.91 0.00 0.00 174.94 173.83 1xrf s THR 253 N 0.19 0.62 0.28 4.00 -4.23 -0.76 -4.83 115.64 110.91 1xrf s THR 253 Ca -0.04 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.37 1xrf s THR 253 Cb -0.09 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1xrf s THR 253 CO 0.01 -0.13 0.50 0.00 -0.54 0.00 0.00 174.62 174.45 1xrf s GLU 255 N -3.68 0.83 0.02 0.00 -1.05 -1.11 -1.94 118.70 111.77 1xrf s GLU 255 Ca 0.24 -1.31 0.01 0.00 -0.15 0.00 0.00 54.97 53.76 1xrf s GLU 255 Cb -0.01 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 33.91 1xrf s GLU 255 CO 0.12 -0.22 -0.04 0.54 0.95 0.00 0.00 175.26 176.61 1xrf s VAL 256 N -3.98 0.21 -0.36 1.83 0.11 -0.61 -4.58 120.40 113.01 1xrf s VAL 256 Ca 0.16 -0.93 -0.23 0.00 -2.93 0.00 0.00 61.98 58.05 1xrf s VAL 256 Cb 0.07 -0.33 0.01 0.00 -1.53 0.00 0.00 36.38 34.60 1xrf s VAL 256 CO -0.03 -0.46 0.80 0.21 -3.33 0.00 0.00 175.10 172.28 1xrf s ASN 257 N -1.46 6.57 0.48 3.54 2.47 -1.21 -1.54 114.94 123.79 1xrf s ASN 257 Ca -0.14 0.39 0.16 0.00 0.42 0.00 0.00 52.86 53.69 1xrf s ASN 257 Cb -0.10 -2.40 1.15 0.00 -1.45 0.00 0.00 41.25 38.45 1xrf s ASN 257 CO -0.01 -0.74 2.06 1.55 -3.72 0.00 0.00 177.10 176.25 1xrf h PRO 258 N 8.46 0.00 0.00 0.43 0.13 -1.89 -2.09 132.00 137.04 1xrf h PRO 258 Ca -0.25 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.85 1xrf h PRO 258 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1xrf h PRO 258 CO 0.92 0.11 -0.18 -0.91 -0.23 0.00 0.00 178.00 177.70 1xrf h ASN 259 N 0.00 0.00 1.64 1.44 2.35 -1.88 -2.72 115.58 116.41 1xrf h ASN 259 Ca -0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1xrf h ASN 259 Cb 0.19 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1xrf h ASN 259 CO 0.01 0.18 -0.37 0.45 -1.65 0.00 0.00 177.43 176.06 1xrf h HIS 260 N 0.00 0.00 0.00 1.19 3.86 -1.77 -3.24 115.15 115.18 1xrf h HIS 260 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xrf h HIS 260 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1xrf h HIS 260 CO 0.00 0.29 0.00 1.28 0.86 0.00 0.00 177.93 180.36 1xrf n LEU 261 N -3.14 0.25 0.00 2.43 4.77 -1.03 -5.01 117.00 115.28 1xrf n LEU 261 Ca 0.02 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1xrf n LEU 261 Cb 0.65 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1xrf n LEU 261 CO 0.38 -0.12 0.00 0.18 -1.33 0.00 0.00 177.39 176.50 1xrf n LEU 262 N -1.75 0.00 -2.68 2.23 4.77 -1.23 -5.06 117.00 113.29 1xrf n LEU 262 Ca 0.06 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 1xrf n LEU 262 Cb 0.33 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 1xrf n LEU 262 CO 0.25 0.00 1.30 -0.67 -1.33 0.00 0.00 177.39 176.95 1xrf n ASP 286 N 0.00 -0.14 -0.27 -1.43 -0.08 0.15 -4.84 116.55 109.94 1xrf n ASP 286 Ca 0.00 -0.02 -0.05 0.00 -1.51 0.00 0.00 54.79 53.21 1xrf n ASP 286 Cb 0.00 -0.48 0.09 0.00 2.34 0.00 0.00 41.12 43.07 1xrf n ASP 286 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1xrf h ARG 287 N 6.98 1.15 -0.12 -0.67 2.43 -1.95 -2.43 114.38 119.77 1xrf h ARG 287 Ca -0.01 -0.20 -0.16 0.00 -0.81 0.00 0.00 59.98 58.79 1xrf h ARG 287 Cb 0.75 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1xrf h ARG 287 CO 0.87 0.93 -0.60 -0.07 -1.51 0.00 0.00 179.97 179.59 1xrf h LEU 288 N 1.12 0.45 -0.38 3.80 3.38 -1.97 -2.03 115.31 119.68 1xrf h LEU 288 Ca 0.26 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1xrf h LEU 288 Cb 0.21 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1xrf h LEU 288 CO -0.02 0.94 -0.21 0.00 0.09 0.00 0.00 178.44 179.24 1xrf h ALA 289 N 1.06 0.54 -0.63 1.53 0.00 -1.92 -1.97 119.26 117.88 1xrf h ALA 289 Ca -0.00 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.58 1xrf h ALA 289 Cb 1.12 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1xrf h ALA 289 CO 0.10 0.51 0.36 -0.07 0.00 0.00 0.00 179.25 180.15 1xrf h LEU 290 N 0.62 0.55 -0.67 0.00 3.38 -1.33 -1.35 115.31 116.51 1xrf h LEU 290 Ca 0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xrf h LEU 290 Cb 0.77 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1xrf h LEU 290 CO 0.06 0.37 0.43 0.40 0.09 0.00 0.00 178.44 179.80 1xrf h ILE 291 N 0.69 1.18 -0.43 1.22 2.04 -1.05 -0.27 117.51 120.88 1xrf h ILE 291 Ca 0.27 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1xrf h ILE 291 Cb 0.12 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1xrf h ILE 291 CO -0.15 0.17 0.08 -0.08 0.00 0.00 0.00 178.15 178.17 1xrf h GLU 292 N 0.90 0.66 -0.61 2.37 4.57 -0.91 -1.43 114.58 120.13 1xrf h GLU 292 Ca 0.24 -0.13 -0.05 0.00 -1.18 0.00 0.00 59.36 58.25 1xrf h GLU 292 Cb -0.09 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 1xrf h GLU 292 CO -0.05 0.62 0.19 0.78 -1.18 0.00 0.00 179.01 179.36 1xrf h GLY 293 N 0.87 1.00 0.87 1.92 0.00 -0.35 -1.05 103.07 106.33 1xrf h GLY 293 Ca 0.14 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 1xrf h GLY 293 CO 0.00 0.53 -0.12 -2.08 0.00 0.00 0.00 176.54 174.88 1xrf h VAL 294 N 0.90 1.30 -0.89 4.60 2.07 -0.45 -1.56 116.25 122.23 1xrf h VAL 294 Ca 0.20 -1.19 0.06 0.00 0.82 0.00 0.00 66.70 66.59 1xrf h VAL 294 Cb 0.27 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.51 1xrf h VAL 294 CO -0.01 0.37 0.56 0.50 0.02 0.00 0.00 177.57 179.01 1xrf h LYS 295 N 0.27 1.00 -0.00 1.57 3.64 -0.89 -2.43 116.57 119.73 1xrf h LYS 295 Ca 0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xrf h LYS 295 Cb 0.62 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1xrf h LYS 295 CO 0.04 0.66 -0.13 0.54 -2.27 0.00 0.00 179.45 178.29 1xrf n ARG 296 N -4.58 0.17 -0.95 1.90 1.74 -0.43 -4.93 116.66 109.58 1xrf n ARG 296 Ca 0.13 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1xrf n ARG 296 Cb 0.16 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1xrf n ARG 296 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xrf n GLY 297 N 1.43 0.46 0.18 -0.13 0.00 -0.92 -4.95 105.19 101.28 1xrf n GLY 297 Ca 0.09 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 1xrf n GLY 297 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xrf h ILE 298 N 0.00 1.36 -3.35 -0.61 2.04 -1.55 -3.43 117.51 111.98 1xrf h ILE 298 Ca 0.00 -2.14 -0.58 0.00 1.00 0.00 0.00 64.86 63.13 1xrf h ILE 298 Cb 0.07 2.12 -0.08 0.00 -0.74 0.00 0.00 36.82 38.19 1xrf h ILE 298 CO 0.00 0.65 0.27 -0.63 0.00 0.00 0.00 178.15 178.44 1xrf s ILE 299 N -3.60 4.94 0.11 -0.67 1.01 -1.22 -4.71 121.20 117.08 1xrf s ILE 299 Ca -0.06 1.44 -0.02 0.00 0.00 0.00 0.00 60.65 62.00 1xrf s ILE 299 Cb 0.10 -4.05 -0.22 0.00 0.01 0.00 0.00 42.46 38.30 1xrf s ILE 299 CO 0.85 0.07 1.25 0.44 0.00 0.00 0.00 174.94 177.55 1xrf h ASP 300 N 7.38 0.41 -5.03 3.58 5.19 -1.66 -3.48 116.42 122.80 1xrf h ASP 300 Ca -0.30 -0.38 -0.04 0.00 -0.62 0.00 0.00 57.03 55.69 1xrf h ASP 300 Cb 1.14 -0.13 -0.13 0.00 0.18 0.00 0.00 39.33 40.39 1xrf h ASP 300 CO 0.81 1.22 0.08 0.00 -3.12 0.00 0.00 179.24 178.23 1xrf s PHE 302 N -3.50 3.73 -0.08 0.00 0.08 -0.75 -1.57 117.98 115.89 1xrf s PHE 302 Ca 0.00 1.17 -0.05 0.00 0.12 0.00 0.00 56.93 58.17 1xrf s PHE 302 Cb 0.00 -2.43 0.03 0.00 -0.57 0.00 0.00 43.02 40.05 1xrf s PHE 302 CO -0.10 0.54 0.21 0.00 -0.10 0.00 0.00 175.22 175.76 1xrf s ALA 303 N -1.23 -0.47 0.19 5.36 0.00 -0.59 -4.71 121.76 120.31 1xrf s ALA 303 Ca 0.31 0.74 -0.01 0.00 0.00 0.00 0.00 51.96 53.00 1xrf s ALA 303 Cb -0.18 -0.46 0.10 0.00 0.00 0.00 0.00 23.12 22.58 1xrf s ALA 303 CO 0.18 -0.14 1.47 1.79 0.00 0.00 0.00 175.76 179.06 1xrf h THR 304 N 5.45 1.36 -6.25 0.00 1.35 -1.86 -3.20 112.91 109.77 1xrf h THR 304 Ca -0.34 -2.00 -0.46 0.00 -0.55 0.00 0.00 66.41 63.05 1xrf h THR 304 Cb 1.17 1.99 -0.01 0.00 -1.73 0.00 0.00 68.15 69.57 1xrf h THR 304 CO 0.39 0.61 -0.80 -0.67 -0.25 0.00 0.00 175.52 174.80 1xrf n ASP 305 N -3.88 -2.93 -4.55 5.36 2.03 -0.43 -4.78 116.55 107.36 1xrf n ASP 305 Ca -0.04 -0.82 -0.50 0.00 0.52 0.00 0.00 54.79 53.95 1xrf n ASP 305 Cb 0.66 -3.85 -0.06 0.00 -0.72 0.00 0.00 41.12 37.15 1xrf n ASP 305 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1xrf n HIS 306 N -4.49 1.87 -3.55 -0.67 -0.00 -1.12 -4.46 115.22 102.80 1xrf n HIS 306 Ca -0.12 0.17 -0.28 0.00 -0.00 0.00 0.00 57.72 57.49 1xrf n HIS 306 Cb 0.60 -2.59 -0.11 0.00 -0.00 0.00 0.00 29.99 27.89 1xrf n HIS 306 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xrf s ALA 307 N 6.34 1.78 0.21 1.57 0.00 -0.53 -1.05 121.76 130.06 1xrf s ALA 307 Ca 1.03 -2.53 -0.30 0.00 0.00 0.00 0.00 51.96 50.16 1xrf s ALA 307 Cb -0.76 -1.74 -0.09 0.00 0.00 0.00 0.00 23.12 20.53 1xrf s ALA 307 CO 0.49 -2.04 1.38 -2.14 0.00 0.00 0.00 175.76 173.45 1xrf s PRO 308 N 0.17 4.33 0.02 0.00 0.02 -1.26 -3.70 135.00 134.57 1xrf s PRO 308 Ca 0.25 2.16 -0.07 0.00 0.02 0.00 0.00 61.00 63.36 1xrf s PRO 308 Cb -0.10 -3.17 -0.00 0.00 0.02 0.00 0.00 34.50 31.25 1xrf s PRO 308 CO -0.10 -0.35 0.13 -1.01 -0.33 0.00 0.00 177.00 175.34 1xrf s HIS 309 N 0.23 0.09 0.00 6.54 3.76 -1.26 -4.96 115.29 119.69 1xrf s HIS 309 Ca 0.59 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 55.24 1xrf s HIS 309 Cb -0.39 -0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.23 1xrf s HIS 309 CO 0.39 -0.32 0.42 1.04 -0.85 0.00 0.00 174.74 175.42 1xrf n GLN 310 N 1.18 -0.78 -0.07 1.40 6.02 -1.26 -4.33 117.38 119.53 1xrf n GLN 310 Ca -0.21 -0.42 -0.16 0.00 -0.01 0.00 0.00 57.00 56.20 1xrf n GLN 310 Cb 0.57 -0.92 -0.05 0.00 1.02 0.00 0.00 30.24 30.85 1xrf n GLN 310 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1xrf n THR 311 N -0.01 0.92 0.00 5.09 -2.24 -1.26 -5.08 114.28 111.70 1xrf n THR 311 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1xrf n THR 311 Cb 0.04 -1.74 0.00 0.00 -2.10 0.00 0.00 70.33 66.52 1xrf n THR 311 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1xrf n MET 321 N -3.74 0.00 -2.39 -0.78 2.81 -1.26 -5.10 117.12 106.66 1xrf n MET 321 Ca -0.29 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.27 1xrf n MET 321 Cb 0.68 -1.19 -0.02 0.00 -0.71 0.00 0.00 33.22 31.98 1xrf n MET 321 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1xrf s PRO 322 N 1.04 3.68 0.38 0.03 0.02 -1.26 -5.06 135.00 133.83 1xrf s PRO 322 Ca 0.00 1.28 -0.27 0.00 0.02 0.00 0.00 61.00 62.03 1xrf s PRO 322 Cb 0.00 -2.08 -0.09 0.00 0.02 0.00 0.00 34.50 32.35 1xrf s PRO 322 CO 0.00 -0.53 1.32 0.20 -0.33 0.00 0.00 177.00 177.66 1xrf s GLY 323 N -2.30 2.95 0.12 0.52 0.00 -1.26 -5.04 107.32 102.31 1xrf s GLY 323 Ca 0.65 1.27 0.05 0.00 0.00 0.00 0.00 44.72 46.70 1xrf s GLY 323 CO 0.26 1.88 -0.13 -0.26 0.00 0.00 0.00 173.10 174.85 1xrf s ILE 324 N -1.21 1.22 0.54 0.90 -4.36 -1.24 -4.84 121.20 112.20 1xrf s ILE 324 Ca 0.54 -1.73 -0.17 0.00 -0.26 0.00 0.00 60.65 59.03 1xrf s ILE 324 Cb -0.39 -1.51 -0.06 0.00 1.25 0.00 0.00 42.46 41.74 1xrf s ILE 324 CO 0.51 -0.48 1.03 0.27 0.24 0.00 0.00 174.94 176.51 1xrf s ILE 325 N -2.33 4.00 0.00 8.37 -4.36 -0.31 -1.46 121.20 125.11 1xrf s ILE 325 Ca 0.09 1.03 0.00 0.00 -0.26 0.00 0.00 60.65 61.51 1xrf s ILE 325 Cb -0.04 -3.49 0.00 0.00 1.25 0.00 0.00 42.46 40.19 1xrf s ILE 325 CO 0.02 -0.47 0.00 0.61 0.24 0.00 0.00 174.94 175.34 1xrf n GLY 326 N -0.92 0.17 0.29 6.27 0.00 -1.26 -4.76 105.19 104.98 1xrf n GLY 326 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 1xrf n GLY 326 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xrf h LEU 327 N 0.00 0.58 -0.30 0.99 3.38 -1.92 -1.38 115.31 116.67 1xrf h LEU 327 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xrf h LEU 327 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1xrf h LEU 327 CO 0.00 0.32 0.00 1.56 0.09 0.00 0.00 178.44 180.41 1xrf h GLN 328 N 0.70 0.00 -0.04 1.13 4.20 -1.92 -3.22 115.11 115.97 1xrf h GLN 328 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1xrf h GLN 328 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1xrf h GLN 328 CO -0.27 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.14 1xrf n THR 329 N -2.56 0.09 -0.04 -0.54 -2.24 -0.98 -4.69 114.28 103.32 1xrf n THR 329 Ca 0.04 -0.55 -0.09 0.00 -2.27 0.00 0.00 64.05 61.19 1xrf n THR 329 Cb 0.40 1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 1xrf n THR 329 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xrf h ALA 330 N 1.77 0.15 0.53 6.98 0.00 -1.27 -1.68 119.26 125.73 1xrf h ALA 330 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xrf h ALA 330 Cb 0.41 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1xrf h ALA 330 CO 0.00 -0.46 -0.25 1.25 0.00 0.00 0.00 179.25 179.79 1xrf h LEU 331 N 0.03 -0.60 -1.49 0.00 5.85 -1.84 -0.60 115.31 116.66 1xrf h LEU 331 Ca 0.09 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1xrf h LEU 331 Cb 0.13 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1xrf h LEU 331 CO -0.17 -0.35 0.07 1.55 -0.34 0.00 0.00 178.44 179.20 1xrf h PRO 332 N -0.82 0.40 -0.32 5.25 0.13 -1.70 0.68 132.00 135.63 1xrf h PRO 332 Ca -0.07 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1xrf h PRO 332 Cb 0.59 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 1xrf h PRO 332 CO 0.12 0.38 0.20 0.77 -0.23 0.00 0.00 178.00 179.24 1xrf h SER 333 N 0.40 0.38 -0.61 1.44 0.02 -1.20 -2.51 113.55 111.48 1xrf h SER 333 Ca 0.10 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1xrf h SER 333 Cb 0.16 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1xrf h SER 333 CO -0.00 0.31 0.27 0.00 -1.14 0.00 0.00 176.83 176.27 1xrf h ALA 334 N 1.09 1.27 0.00 3.77 0.00 -0.51 -2.47 119.26 122.41 1xrf h ALA 334 Ca 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1xrf h ALA 334 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1xrf h ALA 334 CO -0.02 0.55 -0.19 -0.07 0.00 0.00 0.00 179.25 179.52 1xrf h LEU 335 N 0.92 0.00 -0.99 0.00 3.38 -0.68 -1.45 115.31 116.49 1xrf h LEU 335 Ca 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1xrf h LEU 335 Cb 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1xrf h LEU 335 CO -0.02 0.19 0.56 -0.08 0.09 0.00 0.00 178.44 179.17 1xrf h GLU 336 N 0.00 1.25 -0.58 1.13 4.57 -1.00 0.87 114.58 120.83 1xrf h GLU 336 Ca -0.00 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 1xrf h GLU 336 Cb 0.57 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1xrf h GLU 336 CO 0.02 0.87 0.21 -0.07 -1.18 0.00 0.00 179.01 178.87 1xrf h LEU 337 N 1.27 0.81 -0.40 1.64 3.38 -1.32 -1.66 115.31 119.03 1xrf h LEU 337 Ca 0.33 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1xrf h LEU 337 Cb -0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1xrf h LEU 337 CO -0.06 0.78 0.25 0.22 0.09 0.00 0.00 178.44 179.72 1xrf h TYR 338 N 0.80 0.48 0.00 1.13 3.20 -1.09 -1.62 116.97 119.88 1xrf h TYR 338 Ca 0.19 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 1xrf h TYR 338 Cb 0.24 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1xrf h TYR 338 CO 0.01 0.29 -0.21 0.00 -1.64 0.00 0.00 178.16 176.61 1xrf h ARG 339 N 0.52 0.00 -0.23 1.82 3.08 -0.61 -1.89 114.38 117.06 1xrf h ARG 339 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1xrf h ARG 339 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1xrf h ARG 339 CO -0.05 0.21 0.00 1.63 -1.07 0.00 0.00 179.97 180.69 1xrf n LYS 340 N -3.78 1.74 -1.09 0.04 5.02 -0.64 -4.95 118.16 114.50 1xrf n LYS 340 Ca -0.02 -1.13 -0.03 0.00 -2.02 0.00 0.00 58.31 55.12 1xrf n LYS 340 Cb 0.32 -1.34 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 1xrf n LYS 340 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xrf n GLY 341 N 1.09 0.61 0.20 0.72 0.00 -0.71 -4.93 105.19 102.17 1xrf n GLY 341 Ca 0.14 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 1xrf n GLY 341 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xrf h ILE 342 N 0.00 1.30 -3.83 -0.61 2.04 -1.51 -3.46 117.51 111.44 1xrf h ILE 342 Ca -0.06 -2.19 -0.33 0.00 1.00 0.00 0.00 64.86 63.28 1xrf h ILE 342 Cb 0.29 2.25 -0.19 0.00 -0.74 0.00 0.00 36.82 38.43 1xrf h ILE 342 CO 0.09 0.68 -0.74 0.27 0.00 0.00 0.00 178.15 178.44 1xrf s ILE 343 N -3.45 0.90 0.71 -0.67 -4.36 -1.24 -4.37 121.20 108.71 1xrf s ILE 343 Ca -0.09 -1.45 -0.11 0.00 -0.26 0.00 0.00 60.65 58.73 1xrf s ILE 343 Cb 0.08 -1.15 0.02 0.00 1.25 0.00 0.00 42.46 42.66 1xrf s ILE 343 CO 0.91 -0.45 1.07 -0.94 0.24 0.00 0.00 174.94 175.76 1xrf s SER 344 N -2.12 5.20 0.25 4.36 1.04 -1.26 -4.30 113.70 116.86 1xrf s SER 344 Ca 0.01 1.68 -0.06 0.00 0.48 0.00 0.00 55.95 58.06 1xrf s SER 344 Cb -0.06 -2.50 0.28 0.00 0.10 0.00 0.00 66.02 63.84 1xrf s SER 344 CO 0.01 -1.57 1.92 0.25 0.98 0.00 0.00 173.24 174.82 1xrf h LEU 345 N -0.76 1.12 -1.09 2.42 5.85 -1.99 -1.20 115.31 119.65 1xrf h LEU 345 Ca -0.44 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 1xrf h LEU 345 Cb 1.22 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 1xrf h LEU 345 CO 0.56 0.79 0.39 0.50 -0.34 0.00 0.00 178.44 180.33 1xrf h LYS 346 N 1.31 1.02 -0.23 1.25 3.64 -1.99 -0.98 116.57 120.59 1xrf h LYS 346 Ca 0.37 -0.12 -0.15 0.00 -1.27 0.00 0.00 60.65 59.49 1xrf h LYS 346 Cb -0.10 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.51 1xrf h LYS 346 CO -0.10 0.76 -0.46 -0.22 -2.27 0.00 0.00 179.45 177.16 1xrf h LYS 347 N 1.02 0.60 -0.22 1.90 3.64 -1.83 -0.11 116.57 121.59 1xrf h LYS 347 Ca 0.26 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1xrf h LYS 347 Cb 0.05 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1xrf h LYS 347 CO -0.04 0.94 0.14 1.25 -2.27 0.00 0.00 179.45 179.47 1xrf h LEU 348 N 0.48 0.24 -0.60 5.20 6.46 -0.72 -1.53 115.31 124.85 1xrf h LEU 348 Ca 0.03 -0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.71 1xrf h LEU 348 Cb 0.99 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.84 1xrf h LEU 348 CO 0.09 0.17 0.07 0.40 -0.62 0.00 0.00 178.44 178.55 1xrf h ILE 349 N 0.29 1.26 -0.64 4.05 2.04 -0.97 -2.51 117.51 121.03 1xrf h ILE 349 Ca 0.08 -1.05 0.10 0.00 1.00 0.00 0.00 64.86 65.00 1xrf h ILE 349 Cb -0.03 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 36.75 1xrf h ILE 349 CO -0.02 0.38 0.25 -0.33 0.00 0.00 0.00 178.15 178.43 1xrf h GLU 350 N 0.91 0.42 0.00 2.37 5.08 -0.54 -1.85 114.58 120.97 1xrf h GLU 350 Ca 0.18 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xrf h GLU 350 Cb 0.47 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1xrf h GLU 350 CO 0.02 0.28 0.00 0.52 -1.00 0.00 0.00 179.01 178.83 1xrf h MET 351 N 0.43 0.00 -0.01 2.33 2.86 -0.86 -1.05 114.93 118.64 1xrf h MET 351 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1xrf h MET 351 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1xrf h MET 351 CO -0.32 0.00 -0.71 1.19 1.06 0.00 0.00 176.91 178.13 1xrf n PHE 352 N -2.56 0.00 0.00 -0.22 3.72 -0.82 -1.82 117.46 115.77 1xrf n PHE 352 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1xrf n PHE 352 Cb 0.26 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1xrf n PHE 352 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1xrf n THR 353 N -0.74 0.00 -0.10 4.37 -2.24 -0.76 -0.71 114.28 114.10 1xrf n THR 353 Ca 0.06 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.82 1xrf n THR 353 Cb 0.39 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 68.83 1xrf n THR 353 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1xrf h ILE 354 N 0.00 1.22 0.10 2.28 6.09 -1.62 -1.59 117.51 123.99 1xrf h ILE 354 Ca 0.00 -0.82 -0.01 0.00 -1.37 0.00 0.00 64.86 62.66 1xrf h ILE 354 Cb 0.00 0.75 0.00 0.00 0.47 0.00 0.00 36.82 38.04 1xrf h ILE 354 CO 0.00 0.30 -0.05 0.78 -3.07 0.00 0.00 178.15 176.11 1xrf h ASN 355 N 0.73 -0.12 -0.40 2.19 2.35 -1.50 -1.32 115.58 117.51 1xrf h ASN 355 Ca 0.16 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1xrf h ASN 355 Cb 0.32 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1xrf h ASN 355 CO 0.00 0.12 0.24 1.55 -1.65 0.00 0.00 177.43 177.69 1xrf h PRO 356 N -0.36 0.57 -0.87 0.81 0.13 -1.75 -1.71 132.00 128.82 1xrf h PRO 356 Ca -0.01 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1xrf h PRO 356 Cb 0.30 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.26 1xrf h PRO 356 CO 0.02 0.42 0.57 0.00 -0.23 0.00 0.00 178.00 178.79 1xrf h ALA 357 N 1.68 1.12 -0.14 -0.56 0.00 -1.13 -2.14 119.26 118.09 1xrf h ALA 357 Ca 0.15 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1xrf h ALA 357 Cb 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1xrf h ALA 357 CO -0.03 0.47 -0.48 0.00 0.00 0.00 0.00 179.25 179.22 1xrf h ARG 358 N 1.15 0.35 -0.44 0.00 3.08 -0.61 -0.30 114.38 117.61 1xrf h ARG 358 Ca 0.33 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1xrf h ARG 358 Cb -0.08 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1xrf h ARG 358 CO -0.09 0.76 0.10 0.82 -1.07 0.00 0.00 179.97 180.48 1xrf h ILE 359 N 0.28 1.24 -0.18 2.04 2.04 -0.70 -2.64 117.51 119.58 1xrf h ILE 359 Ca 0.02 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1xrf h ILE 359 Cb 0.95 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1xrf h ILE 359 CO 0.08 0.29 0.00 2.30 0.00 0.00 0.00 178.15 180.82 1xrf n ILE 360 N -4.50 0.23 -2.47 -0.67 -5.35 -0.93 -4.60 119.36 101.06 1xrf n ILE 360 Ca 0.00 -0.41 -0.13 0.00 -0.27 0.00 0.00 62.75 61.95 1xrf n ILE 360 Cb 0.22 0.53 0.01 0.00 -1.74 0.00 0.00 39.64 38.66 1xrf n ILE 360 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xrf n GLY 361 N 1.20 -0.09 3.70 3.28 0.00 -0.22 -4.94 105.19 108.12 1xrf n GLY 361 Ca 0.17 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1xrf n GLY 361 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xrf s VAL 362 N -2.77 4.08 -0.29 1.61 -7.23 -0.63 -5.03 120.40 110.15 1xrf s VAL 362 Ca 0.09 -0.96 -0.05 0.00 -1.81 0.00 0.00 61.98 59.25 1xrf s VAL 362 Cb -0.04 -2.95 -0.08 0.00 0.56 0.00 0.00 36.38 33.87 1xrf s VAL 362 CO 0.11 0.12 3.14 -0.67 -0.31 0.00 0.00 175.10 177.49 1xrf n ASP 363 N 0.55 5.99 -3.64 4.85 -0.08 -1.26 -4.55 116.55 118.41 1xrf n ASP 363 Ca -0.10 -2.88 -0.16 0.00 -1.51 0.00 0.00 54.79 50.13 1xrf n ASP 363 Cb 0.52 -1.32 -0.01 0.00 2.34 0.00 0.00 41.12 42.65 1xrf n ASP 363 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1xrf n LEU 364 N 1.63 0.00 -0.10 -2.67 4.77 -1.26 -4.79 117.00 114.58 1xrf n LEU 364 Ca 0.47 -1.72 -0.01 0.00 -0.03 0.00 0.00 56.01 54.71 1xrf n LEU 364 Cb 0.70 0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.82 1xrf n LEU 364 CO 0.25 -0.41 -0.01 0.61 -1.33 0.00 0.00 177.39 176.50 1xrf n GLY 365 N 1.20 0.50 3.31 -0.72 0.00 -1.26 -4.80 105.19 103.41 1xrf n GLY 365 Ca -0.04 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 1xrf n GLY 365 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xrf s THR 366 N -2.04 0.84 -0.31 2.61 -4.23 -1.26 -3.67 115.64 107.58 1xrf s THR 366 Ca 0.00 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 58.58 1xrf s THR 366 Cb 0.00 -2.39 0.47 0.00 1.34 0.00 0.00 72.50 71.92 1xrf s THR 366 CO 0.00 -0.26 1.39 0.18 -0.54 0.00 0.00 174.62 175.40 1xrf n LEU 367 N -0.41 4.31 -4.76 4.79 4.77 -1.26 -4.76 117.00 119.68 1xrf n LEU 367 Ca -0.04 -4.09 -0.38 0.00 -0.03 0.00 0.00 56.01 51.47 1xrf n LEU 367 Cb 0.64 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1xrf n LEU 367 CO 0.37 1.52 0.91 -0.54 -1.33 0.00 0.00 177.39 178.32 1xrf s LYS 368 N -3.38 3.42 0.30 3.23 1.02 -1.26 -4.92 119.74 118.16 1xrf s LYS 368 Ca 0.46 2.01 -0.30 0.00 0.02 0.00 0.00 55.97 58.17 1xrf s LYS 368 Cb 0.41 -2.32 -0.11 0.00 -0.52 0.00 0.00 37.83 35.29 1xrf s LYS 368 CO -0.01 -0.89 1.54 -0.51 -0.92 0.00 0.00 175.35 174.55 1xrf s LEU 369 N -3.30 4.35 0.00 3.17 1.43 -1.26 -1.37 118.68 121.70 1xrf s LEU 369 Ca 0.68 2.92 0.00 0.00 -1.03 0.00 0.00 54.13 56.70 1xrf s LEU 369 Cb -0.35 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.23 1xrf s LEU 369 CO 0.41 -0.86 0.00 0.61 0.23 0.00 0.00 176.35 176.75 1xrf n GLY 370 N 1.77 2.35 3.78 -3.19 0.00 0.39 -4.97 105.19 105.31 1xrf n GLY 370 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1xrf n GLY 370 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xrf s SER 371 N -2.33 5.21 0.28 1.61 0.01 -0.47 -4.63 113.70 113.37 1xrf s SER 371 Ca 0.00 1.93 -0.30 0.00 1.31 0.00 0.00 55.95 58.88 1xrf s SER 371 Cb 0.00 -2.54 -0.13 0.00 0.21 0.00 0.00 66.02 63.56 1xrf s SER 371 CO 0.00 -1.56 1.46 -2.65 0.41 0.00 0.00 173.24 170.90 1xrf n PRO 372 N -2.47 2.29 -2.81 12.44 -0.02 -1.26 -0.50 135.00 142.68 1xrf n PRO 372 Ca 0.10 0.81 -0.43 0.00 -2.02 0.00 0.00 63.50 61.96 1xrf n PRO 372 Cb 0.52 -2.51 -0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1xrf n PRO 372 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xrf s ALA 373 N -0.21 3.65 -0.38 3.55 0.00 -0.13 -4.72 121.76 123.52 1xrf s ALA 373 Ca 0.65 -3.10 -0.12 0.00 0.00 0.00 0.00 51.96 49.39 1xrf s ALA 373 Cb -0.58 -4.31 0.03 0.00 0.00 0.00 0.00 23.12 18.26 1xrf s ALA 373 CO 0.51 -3.01 0.23 -0.51 0.00 0.00 0.00 175.76 172.98 1xrf s ASP 374 N 3.47 5.82 -0.03 0.00 1.01 -1.26 -1.47 116.67 124.21 1xrf s ASP 374 Ca 0.45 -0.96 0.02 0.00 0.71 0.00 0.00 52.55 52.77 1xrf s ASP 374 Cb -0.01 -2.06 0.01 0.00 1.01 0.00 0.00 42.92 41.88 1xrf s ASP 374 CO 0.01 -0.40 -0.06 -0.63 0.21 0.00 0.00 175.17 174.30 1xrf s ILE 375 N 1.58 0.60 -0.06 0.77 1.01 -0.12 -1.19 121.20 123.79 1xrf s ILE 375 Ca 0.03 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.49 1xrf s ILE 375 Cb -0.19 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 1xrf s ILE 375 CO 0.07 0.22 -0.12 -0.89 0.00 0.00 0.00 174.94 174.22 1xrf s THR 376 N 0.56 3.27 -0.14 2.92 2.01 0.20 -0.90 115.64 123.56 1xrf s THR 376 Ca -0.08 -0.64 -0.00 0.00 0.31 0.00 0.00 61.69 61.28 1xrf s THR 376 Cb -0.11 -2.30 0.03 0.00 0.01 0.00 0.00 72.50 70.13 1xrf s THR 376 CO 0.00 0.59 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.81 1xrf s ILE 377 N -0.72 1.18 0.08 1.82 1.01 -0.28 -1.17 121.20 123.13 1xrf s ILE 377 Ca 0.11 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.30 1xrf s ILE 377 Cb -0.11 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 1xrf s ILE 377 CO 0.01 0.31 -0.08 0.72 0.00 0.00 0.00 174.94 175.90 1xrf s PHE 378 N 1.63 0.89 -0.38 3.97 -0.12 -0.09 -0.46 117.98 123.41 1xrf s PHE 378 Ca 0.04 -0.74 -0.10 0.00 -0.05 0.00 0.00 56.93 56.07 1xrf s PHE 378 Cb -0.14 -0.51 0.04 0.00 -0.63 0.00 0.00 43.02 41.79 1xrf s PHE 378 CO -0.09 -0.09 0.21 0.34 -0.05 0.00 0.00 175.22 175.54 1xrf s ASP 379 N -2.52 5.65 0.56 1.98 -1.08 -0.05 -1.00 116.67 120.21 1xrf s ASP 379 Ca 0.05 -1.15 0.37 0.00 -0.52 0.00 0.00 52.55 51.30 1xrf s ASP 379 Cb -0.01 -1.99 1.81 0.00 -1.46 0.00 0.00 42.92 41.27 1xrf s ASP 379 CO -0.02 -0.42 2.11 1.55 0.52 0.00 0.00 175.17 178.91 1xrf h PRO 380 N 8.40 0.00 -0.26 4.34 0.13 -1.86 -1.41 132.00 141.34 1xrf h PRO 380 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1xrf h PRO 380 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1xrf h PRO 380 CO 0.68 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.54 1xrf n ASN 381 N -2.92 2.74 -4.66 1.44 5.03 -1.26 -3.15 115.26 112.48 1xrf n ASN 381 Ca -0.01 -1.82 -0.43 0.00 0.87 0.00 0.00 54.58 53.19 1xrf n ASN 381 Cb 0.16 -0.17 -0.02 0.00 -1.02 0.00 0.00 39.78 38.73 1xrf n ASN 381 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1xrf s LYS 382 N -1.07 4.27 0.10 3.52 2.47 -1.16 -4.65 119.74 123.22 1xrf s LYS 382 Ca 0.24 1.30 -0.25 0.00 -1.56 0.00 0.00 55.97 55.70 1xrf s LYS 382 Cb 0.14 -3.63 -0.06 0.00 -1.46 0.00 0.00 37.83 32.82 1xrf s LYS 382 CO 0.19 -0.57 0.77 -1.21 0.16 0.00 0.00 175.35 174.69 1xrf s GLU 383 N 2.98 4.52 0.32 4.03 2.02 -1.26 -0.37 118.70 130.95 1xrf s GLU 383 Ca 0.43 1.11 -0.15 0.00 0.02 0.00 0.00 54.97 56.38 1xrf s GLU 383 Cb -0.15 -3.32 0.03 0.00 0.10 0.00 0.00 34.13 30.78 1xrf s GLU 383 CO 0.08 0.40 0.67 1.67 0.02 0.00 0.00 175.26 178.10 1xrf s TRP 384 N -0.51 0.20 -0.04 1.61 1.48 -0.60 -4.99 118.94 116.10 1xrf s TRP 384 Ca 0.37 -0.70 0.02 0.00 -1.06 0.00 0.00 56.10 54.74 1xrf s TRP 384 Cb -0.22 0.56 0.01 0.00 -1.16 0.00 0.00 33.47 32.66 1xrf s TRP 384 CO 0.24 -1.31 -0.08 0.42 -4.06 0.00 0.00 176.95 172.16 1xrf s ILE 385 N -3.20 0.73 -0.41 0.66 1.01 -1.26 -0.48 121.20 118.26 1xrf s ILE 385 Ca 0.17 -0.29 -0.29 0.00 0.00 0.00 0.00 60.65 60.24 1xrf s ILE 385 Cb -0.04 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 41.77 1xrf s ILE 385 CO 0.11 0.25 1.15 -0.22 0.00 0.00 0.00 174.94 176.23 1xrf s LEU 386 N 0.47 3.74 0.00 2.97 2.96 -1.26 -4.66 118.68 122.90 1xrf s LEU 386 Ca -0.07 0.73 -0.00 0.00 -0.22 0.00 0.00 54.13 54.57 1xrf s LEU 386 Cb -0.11 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1xrf s LEU 386 CO 0.01 -1.14 0.00 -0.46 -1.32 0.00 0.00 176.35 173.44 1xrf n ASN 387 N 7.60 -0.01 0.30 3.68 0.23 -1.26 -0.61 115.26 125.20 1xrf n ASN 387 Ca 0.13 -1.01 0.17 0.00 -0.53 0.00 0.00 54.58 53.34 1xrf n ASN 387 Cb 0.48 0.01 0.97 0.00 -2.08 0.00 0.00 39.78 39.17 1xrf n ASN 387 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1xrf h GLU 388 N 0.00 0.00 0.00 -3.83 9.09 -1.93 0.29 114.58 118.20 1xrf h GLU 388 Ca -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 1xrf h GLU 388 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1xrf h GLU 388 CO 0.00 0.02 -0.09 0.93 0.05 0.00 0.00 179.01 179.92 1xrf h GLU 389 N 0.00 0.00 0.00 1.06 4.39 -1.95 -3.38 114.58 114.70 1xrf h GLU 389 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xrf h GLU 389 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1xrf h GLU 389 CO 0.00 0.09 -0.67 0.25 -1.16 0.00 0.00 179.01 177.53 1xrf n THR 390 N -3.14 0.00 -2.36 1.13 -2.24 -0.72 -5.04 114.28 101.91 1xrf n THR 390 Ca 0.03 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 1xrf n THR 390 Cb 0.52 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 69.31 1xrf n THR 390 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xrf s ASN 391 N -1.56 6.99 0.00 3.42 2.47 0.01 -4.88 114.94 121.39 1xrf s ASN 391 Ca 0.00 2.03 0.16 0.00 0.42 0.00 0.00 52.86 55.46 1xrf s ASN 391 Cb 0.00 -2.57 -0.04 0.00 -1.45 0.00 0.00 41.25 37.19 1xrf s ASN 391 CO 0.00 -0.57 0.81 0.18 -3.72 0.00 0.00 177.10 173.79 1xrf n LEU 392 N 4.55 1.42 -4.84 3.21 4.77 -1.26 -4.97 117.00 119.88 1xrf n LEU 392 Ca 0.11 -0.70 -0.32 0.00 -0.03 0.00 0.00 56.01 55.07 1xrf n LEU 392 Cb 0.45 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 1xrf n LEU 392 CO 0.56 0.28 0.71 -0.55 -1.33 0.00 0.00 177.39 177.06 1xrf s SER 393 N -2.02 6.01 0.01 -1.43 0.15 -1.26 -4.59 113.70 110.55 1xrf s SER 393 Ca 0.12 1.58 0.29 0.00 0.70 0.00 0.00 55.95 58.63 1xrf s SER 393 Cb 0.13 -2.50 1.18 0.00 -1.71 0.00 0.00 66.02 63.11 1xrf s SER 393 CO 0.46 -1.02 1.89 0.29 1.20 0.00 0.00 173.24 176.06 1xrf n LYS 394 N -2.46 0.01 -4.32 5.44 5.02 -1.26 -4.85 118.16 115.73 1xrf n LYS 394 Ca 0.07 0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.10 1xrf n LYS 394 Cb 0.54 -1.51 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 1xrf n LYS 394 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1xrf s SER 395 N -3.04 4.23 -0.03 4.39 0.01 -1.21 -4.88 113.70 113.17 1xrf s SER 395 Ca 0.14 -1.22 0.05 0.00 1.31 0.00 0.00 55.95 56.23 1xrf s SER 395 Cb 0.19 -0.35 0.08 0.00 0.21 0.00 0.00 66.02 66.14 1xrf s SER 395 CO 0.54 -0.55 0.96 0.54 0.41 0.00 0.00 173.24 175.14 1xrf n ARG 396 N -1.17 0.57 -2.64 12.44 1.74 -1.26 -4.97 116.66 121.37 1xrf n ARG 396 Ca -0.04 -1.37 -0.42 0.00 -0.77 0.00 0.00 57.85 55.25 1xrf n ARG 396 Cb 0.66 -0.80 -0.02 0.00 -1.02 0.00 0.00 32.46 31.28 1xrf n ARG 396 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1xrf s ASN 397 N -1.34 6.69 -0.21 0.55 4.22 -1.26 -4.84 114.94 118.75 1xrf s ASN 397 Ca 0.08 -2.01 -0.18 0.00 -2.14 0.00 0.00 52.86 48.61 1xrf s ASN 397 Cb 0.07 -2.54 0.06 0.00 1.28 0.00 0.00 41.25 40.12 1xrf s ASN 397 CO 0.01 -1.27 0.55 0.28 -2.04 0.00 0.00 177.10 174.62 1xrf s THR 398 N 4.18 -0.00 -0.68 0.54 -1.32 -1.26 -1.16 115.64 115.93 1xrf s THR 398 Ca 0.47 0.01 0.16 0.00 -1.21 0.00 0.00 61.69 61.13 1xrf s THR 398 Cb 0.01 -0.77 0.16 0.00 -1.51 0.00 0.00 72.50 70.39 1xrf s THR 398 CO -0.02 0.00 1.50 -0.81 -2.21 0.00 0.00 174.62 173.08 1xrf n PRO 399 N 3.07 0.09 0.00 7.08 -0.04 -1.26 -2.00 135.00 141.94 1xrf n PRO 399 Ca -0.15 0.42 0.13 0.00 -0.04 0.00 0.00 63.50 63.86 1xrf n PRO 399 Cb 0.56 -1.71 0.61 0.00 -0.04 0.00 0.00 33.50 32.93 1xrf n PRO 399 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xrf n LEU 400 N -1.88 0.00 -4.69 1.53 4.77 -1.26 -4.85 117.00 110.62 1xrf n LEU 400 Ca 0.02 0.44 -0.52 0.00 -0.03 0.00 0.00 56.01 55.92 1xrf n LEU 400 Cb 0.13 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 40.72 1xrf n LEU 400 CO 0.12 -0.03 1.36 1.87 -1.33 0.00 0.00 177.39 179.39 1xrf n TRP 401 N -1.44 2.16 -0.82 -1.77 -0.00 -0.85 -1.27 117.44 113.45 1xrf n TRP 401 Ca 0.08 0.27 0.00 0.00 -0.00 0.00 0.00 57.50 57.85 1xrf n TRP 401 Cb 0.29 -2.55 0.00 0.00 -0.00 0.00 0.00 31.31 29.05 1xrf n TRP 401 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1xrf n GLY 402 N 4.12 0.85 3.94 5.87 0.00 0.22 -5.02 105.19 115.17 1xrf n GLY 402 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 1xrf n GLY 402 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xrf s LYS 403 N -0.18 3.48 -0.07 1.61 -0.14 -0.40 -4.93 119.74 119.11 1xrf s LYS 403 Ca 0.00 -0.48 -0.30 0.00 -1.36 0.00 0.00 55.97 53.83 1xrf s LYS 403 Cb 0.00 -2.86 -0.03 0.00 -1.68 0.00 0.00 37.83 33.26 1xrf s LYS 403 CO 0.00 0.41 1.26 0.08 -0.76 0.00 0.00 175.35 176.34 1xrf s VAL 404 N -1.91 4.16 0.15 3.17 1.01 -1.26 -4.12 120.40 121.60 1xrf s VAL 404 Ca 0.37 1.47 0.06 0.00 0.00 0.00 0.00 61.98 63.88 1xrf s VAL 404 Cb -0.10 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1xrf s VAL 404 CO 0.30 -0.04 0.03 -0.76 0.00 0.00 0.00 175.10 174.63 1xrf s LEU 405 N 2.62 3.47 -0.10 3.92 1.43 0.37 -4.96 118.68 125.43 1xrf s LEU 405 Ca 0.57 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1xrf s LEU 405 Cb -0.25 -2.14 0.03 0.00 0.03 0.00 0.00 46.19 43.86 1xrf s LEU 405 CO 0.21 0.11 -0.05 -0.75 0.23 0.00 0.00 176.35 176.10 1xrf s LYS 406 N -2.79 1.21 0.00 1.70 2.20 -1.26 -1.55 119.74 119.25 1xrf s LYS 406 Ca 0.28 -0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 1xrf s LYS 406 Cb -0.10 -1.37 0.00 0.00 -1.51 0.00 0.00 37.83 34.84 1xrf s LYS 406 CO 0.20 -0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 1xrf n GLY 407 N 4.99 3.13 3.28 5.54 0.00 0.50 -4.50 105.19 118.13 1xrf n GLY 407 Ca -0.11 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 1xrf n GLY 407 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xrf s LYS 408 N -5.23 0.42 0.18 1.61 2.20 -0.54 -4.10 119.74 114.29 1xrf s LYS 408 Ca 0.00 0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 56.03 1xrf s LYS 408 Cb 0.00 0.06 -0.09 0.00 -1.51 0.00 0.00 37.83 36.30 1xrf s LYS 408 CO 0.00 -0.12 1.33 0.08 -0.36 0.00 0.00 175.35 176.28 1xrf s VAL 409 N 1.01 3.20 -0.26 4.02 1.01 -1.26 -0.87 120.40 127.24 1xrf s VAL 409 Ca -0.06 0.96 -0.04 0.00 0.00 0.00 0.00 61.98 62.84 1xrf s VAL 409 Cb -0.07 -3.61 -0.15 0.00 0.00 0.00 0.00 36.38 32.55 1xrf s VAL 409 CO -0.08 0.13 -0.27 -0.38 0.00 0.00 0.00 175.10 174.49 1xrf n ILE 410 N 2.87 1.48 -4.27 2.22 2.08 0.39 -4.54 119.36 119.60 1xrf n ILE 410 Ca 0.07 -0.50 -0.17 0.00 0.56 0.00 0.00 62.75 62.71 1xrf n ILE 410 Cb 0.43 -1.58 -0.14 0.00 -0.75 0.00 0.00 39.64 37.59 1xrf n ILE 410 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1xrf s TYR 411 N -2.51 0.66 -0.07 1.39 2.02 -0.92 -0.65 117.35 117.28 1xrf s TYR 411 Ca -0.36 -0.14 0.04 0.00 -0.37 0.00 0.00 57.07 56.24 1xrf s TYR 411 Cb 0.11 -0.43 0.00 0.00 -0.40 0.00 0.00 41.96 41.25 1xrf s TYR 411 CO 0.55 -0.01 -0.20 0.99 -1.57 0.00 0.00 175.55 175.31 1xrf s THR 412 N -0.22 1.69 -0.09 -0.71 2.01 -0.44 -1.12 115.64 116.76 1xrf s THR 412 Ca 0.02 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.23 1xrf s THR 412 Cb -0.03 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 71.02 1xrf s THR 412 CO -0.00 0.48 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.59 1xrf s ILE 413 N 0.26 1.68 -0.09 1.82 1.01 -0.08 -0.62 121.20 125.19 1xrf s ILE 413 Ca -0.12 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.75 1xrf s ILE 413 Cb -0.15 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.86 1xrf s ILE 413 CO 0.05 0.48 -0.12 -0.75 0.00 0.00 0.00 174.94 174.59 1xrf s LYS 414 N 0.51 1.84 -1.42 2.79 2.20 -0.12 -0.94 119.74 124.59 1xrf s LYS 414 Ca -0.16 -0.44 -0.12 0.00 -0.36 0.00 0.00 55.97 54.89 1xrf s LYS 414 Cb -0.17 -1.59 0.09 0.00 -1.51 0.00 0.00 37.83 34.64 1xrf s LYS 414 CO 0.06 -0.05 0.65 -0.25 -0.36 0.00 0.00 175.35 175.40 1xrf n ASP 415 N 4.12 -4.00 0.00 1.43 8.00 -0.92 -1.36 116.55 123.83 1xrf n ASP 415 Ca -0.20 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.73 1xrf n ASP 415 Cb 0.51 -3.27 0.00 0.00 -0.02 0.00 0.00 41.12 38.34 1xrf n ASP 415 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xrf n GLY 416 N -1.33 0.92 3.60 0.44 0.00 -0.54 -4.34 105.19 103.93 1xrf n GLY 416 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1xrf n GLY 416 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xrf s LYS 417 N -0.03 3.41 -0.30 1.61 2.20 -0.46 -4.91 119.74 121.25 1xrf s LYS 417 Ca 0.00 -0.45 -0.28 0.00 -0.36 0.00 0.00 55.97 54.88 1xrf s LYS 417 Cb 0.00 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 33.40 1xrf s LYS 417 CO 0.00 0.45 1.88 1.41 -0.36 0.00 0.00 175.35 178.73 1xrf s MET 418 N -0.18 3.32 -0.01 4.03 -2.45 -1.26 -0.95 119.30 121.80 1xrf s MET 418 Ca 0.05 1.58 0.22 0.00 -1.25 0.00 0.00 55.69 56.28 1xrf s MET 418 Cb -0.13 -4.23 -0.27 0.00 1.25 0.00 0.00 34.83 31.45 1xrf s MET 418 CO 0.02 -1.88 0.64 1.33 1.05 0.00 0.00 175.02 176.19 1xrf n VAL 419 N 7.46 0.04 -3.82 10.11 0.24 0.21 -4.95 118.33 127.61 1xrf n VAL 419 Ca 0.24 -0.36 -0.12 0.00 -2.04 0.00 0.00 64.34 62.06 1xrf n VAL 419 Cb 0.46 0.24 -0.12 0.00 -1.47 0.00 0.00 33.84 32.95 1xrf n VAL 419 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1xrf s TYR 420 N -3.37 -0.15 -0.04 6.34 5.04 -1.06 -4.96 117.35 119.14 1xrf s TYR 420 Ca -0.03 0.37 -0.02 0.00 -2.44 0.00 0.00 57.07 54.96 1xrf s TYR 420 Cb 0.14 0.05 0.03 0.00 0.35 0.00 0.00 41.96 42.53 1xrf s TYR 420 CO 0.89 -0.10 0.09 0.21 -1.34 0.00 0.00 175.55 175.30 1xrf s LYS 421 N -0.04 0.04 0.00 4.97 2.20 -1.26 -1.33 119.74 124.32 1xrf s LYS 421 Ca -0.01 0.25 0.09 0.00 -0.36 0.00 0.00 55.97 55.94 1xrf s LYS 421 Cb -0.02 -0.17 0.53 0.00 -1.51 0.00 0.00 37.83 36.66 1xrf s LYS 421 CO 0.00 -0.14 0.98 -3.47 -0.36 0.00 0.00 175.35 172.36