#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3flu s PHE -1 N 0.00 2.02 -0.12 0.54 -0.71 -1.26 -5.15 117.98 113.31 3flu s PHE -1 Ca 0.00 -0.93 -0.04 0.00 -1.04 0.00 0.00 56.93 54.91 3flu s PHE -1 Cb 0.00 -1.33 -0.04 0.00 -1.21 0.00 0.00 43.02 40.44 3flu s PHE -1 CO 0.00 0.05 0.04 0.99 -1.34 0.00 0.00 175.22 174.96 3flu s THR 0 N -3.24 4.64 0.26 -4.49 2.01 -1.26 -5.08 115.64 108.47 3flu s THR 0 Ca 0.36 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 3flu s THR 0 Cb 0.09 -3.00 -0.10 0.00 0.01 0.00 0.00 72.50 69.50 3flu s THR 0 CO 0.16 0.57 1.46 -0.04 -0.69 0.00 0.00 174.62 176.08 3flu s MET 1 N -0.60 4.25 0.44 4.92 -1.94 -1.26 -4.99 119.30 120.12 3flu s MET 1 Ca 0.11 2.34 -0.24 0.00 -1.71 0.00 0.00 55.69 56.19 3flu s MET 1 Cb -0.12 -3.10 -0.08 0.00 2.01 0.00 0.00 34.83 33.55 3flu s MET 1 CO 0.02 -0.45 1.16 -0.51 -0.01 0.00 0.00 175.02 175.23 3flu s LEU 2 N -0.44 4.07 0.09 -0.03 1.43 -1.26 -5.07 118.68 117.47 3flu s LEU 2 Ca 0.60 2.29 -0.20 0.00 -1.03 0.00 0.00 54.13 55.79 3flu s LEU 2 Cb -0.43 -4.19 0.05 0.00 0.03 0.00 0.00 46.19 41.66 3flu s LEU 2 CO 0.44 -0.82 0.48 0.00 0.23 0.00 0.00 176.35 176.68 3flu s GLN 3 N -2.59 1.07 3.37 1.70 1.03 -1.26 -4.85 119.66 118.12 3flu s GLN 3 Ca 0.62 -0.44 0.00 0.00 0.04 0.00 0.00 55.36 55.58 3flu s GLN 3 Cb -0.28 0.48 0.00 0.00 0.03 0.00 0.00 33.01 33.24 3flu s GLN 3 CO 0.35 -0.41 0.00 0.41 -2.54 0.00 0.00 175.29 173.10 3flu n GLY 4 N 0.09 -0.12 3.55 2.60 0.00 -0.93 -4.72 105.19 105.66 3flu n GLY 4 Ca -0.17 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 3flu n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3flu s SER 5 N -4.00 6.40 -0.38 1.61 0.15 -1.26 -1.49 113.70 114.73 3flu s SER 5 Ca 0.00 -0.00 -0.01 0.00 0.70 0.00 0.00 55.95 56.64 3flu s SER 5 Cb 0.00 -2.33 0.10 0.00 -1.71 0.00 0.00 66.02 62.08 3flu s SER 5 CO 0.00 -0.66 0.13 -0.76 1.20 0.00 0.00 173.24 173.15 3flu s LEU 6 N 2.78 4.97 0.03 3.45 1.43 -0.31 0.03 118.68 131.05 3flu s LEU 6 Ca 0.24 -2.00 -0.30 0.00 -1.03 0.00 0.00 54.13 51.04 3flu s LEU 6 Cb -0.14 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 3flu s LEU 6 CO 0.16 -0.46 1.14 0.54 0.23 0.00 0.00 176.35 177.96 3flu s VAL 7 N 1.07 4.28 -1.18 -1.59 0.11 -0.69 -0.99 120.40 121.41 3flu s VAL 7 Ca 0.08 1.63 -0.21 0.00 -2.93 0.00 0.00 61.98 60.55 3flu s VAL 7 Cb -0.21 -4.04 0.03 0.00 -1.53 0.00 0.00 36.38 30.62 3flu s VAL 7 CO -0.05 0.11 1.71 0.00 -3.33 0.00 0.00 175.10 173.54 3flu s ALA 8 N 1.21 2.80 0.19 1.54 0.00 -0.37 -0.75 121.76 126.39 3flu s ALA 8 Ca 0.57 -2.53 -0.30 0.00 0.00 0.00 0.00 51.96 49.70 3flu s ALA 8 Cb -0.27 -4.62 -0.08 0.00 0.00 0.00 0.00 23.12 18.15 3flu s ALA 8 CO 0.28 -3.81 1.21 -1.17 0.00 0.00 0.00 175.76 172.27 3flu s LEU 9 N 5.95 4.45 0.71 0.00 2.96 -0.72 -4.69 118.68 127.33 3flu s LEU 9 Ca 0.55 2.27 -0.15 0.00 -0.22 0.00 0.00 54.13 56.58 3flu s LEU 9 Cb 0.01 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 43.12 3flu s LEU 9 CO 0.04 -0.39 1.18 0.27 -1.32 0.00 0.00 176.35 176.13 3flu s ILE 10 N -0.11 2.54 -0.50 6.68 -4.36 -1.26 -3.39 121.20 120.80 3flu s ILE 10 Ca 0.53 0.27 -0.12 0.00 -0.26 0.00 0.00 60.65 61.06 3flu s ILE 10 Cb -0.33 -2.83 0.12 0.00 1.25 0.00 0.00 42.46 40.67 3flu s ILE 10 CO 0.37 -0.14 0.41 -0.89 0.24 0.00 0.00 174.94 174.93 3flu s THR 11 N -2.04 4.70 0.33 8.37 2.01 -1.26 -4.89 115.64 122.85 3flu s THR 11 Ca 0.73 -1.60 -0.29 0.00 0.31 0.00 0.00 61.69 60.84 3flu s THR 11 Cb -0.27 -4.03 -0.11 0.00 0.01 0.00 0.00 72.50 68.10 3flu s THR 11 CO 0.44 -0.79 1.55 -2.65 -0.69 0.00 0.00 174.62 172.48 3flu n PRO 12 N 5.07 2.70 -4.27 4.92 -0.02 -1.26 -4.91 135.00 137.23 3flu n PRO 12 Ca -0.11 0.95 -0.19 0.00 -2.02 0.00 0.00 63.50 62.14 3flu n PRO 12 Cb 0.41 -2.71 -0.11 0.00 -0.02 0.00 0.00 33.50 31.06 3flu n PRO 12 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3flu s MET 13 N -1.24 1.10 0.85 -0.52 -1.94 -1.26 -0.46 119.30 115.82 3flu s MET 13 Ca 0.59 -1.30 -0.12 0.00 -1.71 0.00 0.00 55.69 53.15 3flu s MET 13 Cb -0.49 -1.01 0.10 0.00 2.01 0.00 0.00 34.83 35.45 3flu s MET 13 CO 0.56 0.20 1.14 -0.80 -0.01 0.00 0.00 175.02 176.10 3flu s ASN 14 N -2.55 4.07 0.64 3.03 0.01 0.99 -4.59 114.94 116.54 3flu s ASN 14 Ca 0.11 0.97 0.39 0.00 -0.71 0.00 0.00 52.86 53.61 3flu s ASN 14 Cb -0.05 -1.55 2.18 0.00 0.41 0.00 0.00 41.25 42.23 3flu s ASN 14 CO 0.04 -2.20 2.31 0.06 -1.51 0.00 0.00 177.10 175.80 3flu h GLN 15 N -1.25 0.00 -0.21 -0.60 -0.00 -1.98 -0.12 115.11 110.95 3flu h GLN 15 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 3flu h GLN 15 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.80 3flu h GLN 15 CO 0.63 0.00 0.00 -0.40 -0.00 0.00 0.00 178.83 179.06 3flu n ASP 16 N -3.37 2.04 0.00 0.06 5.75 -1.26 -4.94 116.55 114.82 3flu n ASP 16 Ca -0.03 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 3flu n ASP 16 Cb 0.09 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 3flu n ASP 16 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3flu n GLY 17 N 1.21 1.29 3.77 6.12 0.00 -0.06 -5.05 105.19 112.48 3flu n GLY 17 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3flu n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3flu s SER 18 N -2.93 5.57 0.22 1.61 1.04 -1.26 -4.66 113.70 113.29 3flu s SER 18 Ca 0.00 2.15 -0.30 0.00 0.48 0.00 0.00 55.95 58.28 3flu s SER 18 Cb 0.00 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.46 3flu s SER 18 CO 0.00 -1.32 1.20 -0.63 0.98 0.00 0.00 173.24 173.47 3flu s ILE 19 N -1.88 3.45 -0.56 -1.02 1.01 -1.26 -0.01 121.20 120.93 3flu s ILE 19 Ca 0.72 1.28 -0.09 0.00 0.00 0.00 0.00 60.65 62.55 3flu s ILE 19 Cb -0.23 -3.82 0.14 0.00 0.01 0.00 0.00 42.46 38.56 3flu s ILE 19 CO 0.30 0.23 0.45 -2.28 0.00 0.00 0.00 174.94 173.64 3flu s HIS 20 N -0.34 3.47 0.26 3.97 2.46 0.39 -4.76 115.29 120.74 3flu s HIS 20 Ca 0.51 -2.01 0.08 0.00 0.47 0.00 0.00 55.06 54.12 3flu s HIS 20 Cb -0.33 -3.52 0.33 0.00 -0.13 0.00 0.00 32.58 28.92 3flu s HIS 20 CO 0.39 -0.97 1.60 1.88 -2.47 0.00 0.00 174.74 175.17 3flu h TYR 21 N 8.11 0.11 -0.41 3.88 -1.99 -1.94 -2.35 116.97 122.38 3flu h TYR 21 Ca -0.13 -0.04 -0.12 0.00 2.00 0.00 0.00 58.73 60.44 3flu h TYR 21 Cb 1.05 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.75 3flu h TYR 21 CO 0.73 0.67 -0.20 1.49 -0.00 0.00 0.00 178.16 180.84 3flu h GLU 22 N 0.06 0.86 -0.79 4.88 4.81 -1.98 0.24 114.58 122.66 3flu h GLU 22 Ca -0.01 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 58.82 3flu h GLU 22 Cb 1.09 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 3flu h GLU 22 CO 0.08 1.02 0.40 1.96 -0.73 0.00 0.00 179.01 181.75 3flu h GLN 23 N 0.68 1.12 -0.23 1.92 4.20 -1.87 -1.74 115.11 119.19 3flu h GLN 23 Ca 0.09 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 58.69 3flu h GLN 23 Cb 0.77 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 3flu h GLN 23 CO 0.06 0.85 -0.02 1.25 -0.67 0.00 0.00 178.83 180.31 3flu h LEU 24 N 1.11 -0.13 -0.59 1.46 5.85 -0.97 0.58 115.31 122.63 3flu h LEU 24 Ca 0.27 0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.06 3flu h LEU 24 Cb 0.08 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3flu h LEU 24 CO -0.04 -0.03 0.39 0.03 -0.34 0.00 0.00 178.44 178.45 3flu h ARG 25 N 0.05 0.77 -0.62 1.25 3.08 -0.76 -1.90 114.38 116.25 3flu h ARG 25 Ca 0.11 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3flu h ARG 25 Cb 0.15 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3flu h ARG 25 CO -0.20 0.51 0.30 -0.44 -1.07 0.00 0.00 179.97 179.07 3flu h ASP 26 N 0.79 0.81 -0.60 7.04 3.32 -1.12 -2.33 116.42 124.34 3flu h ASP 26 Ca 0.22 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.18 3flu h ASP 26 Cb -0.08 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.21 3flu h ASP 26 CO -0.05 0.72 0.33 -0.07 -1.72 0.00 0.00 179.24 178.44 3flu h LEU 27 N 0.85 0.49 -0.16 1.55 3.38 -0.63 -0.49 115.31 120.30 3flu h LEU 27 Ca 0.21 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.24 3flu h LEU 27 Cb 0.12 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3flu h LEU 27 CO -0.03 0.33 -0.06 0.40 0.09 0.00 0.00 178.44 179.17 3flu h ILE 28 N 0.62 0.79 -0.61 1.22 2.04 -1.07 -0.60 117.51 119.90 3flu h ILE 28 Ca 0.26 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.07 3flu h ILE 28 Cb 0.14 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3flu h ILE 28 CO -0.16 0.00 0.18 0.44 0.00 0.00 0.00 178.15 178.61 3flu h ASP 29 N -0.03 0.90 -0.55 1.72 3.32 -1.07 -1.32 116.42 119.39 3flu h ASP 29 Ca 0.08 -0.21 0.06 0.00 0.02 0.00 0.00 57.03 56.98 3flu h ASP 29 Cb 0.16 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 3flu h ASP 29 CO -0.19 0.87 0.26 -0.25 -1.72 0.00 0.00 179.24 178.21 3flu h TRP 30 N 0.88 0.47 -0.19 4.55 7.01 -0.91 -0.35 115.95 127.40 3flu h TRP 30 Ca 0.20 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 3flu h TRP 30 Cb 0.30 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 3flu h TRP 30 CO 0.02 0.20 0.11 0.45 -2.79 0.00 0.00 178.44 176.43 3flu h HIS 31 N 0.49 0.26 -0.55 2.65 3.86 -0.90 -2.32 115.15 118.64 3flu h HIS 31 Ca 0.25 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.35 3flu h HIS 31 Cb 0.21 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 3flu h HIS 31 CO -0.12 0.23 -0.06 0.82 0.86 0.00 0.00 177.93 179.66 3flu h ILE 32 N 0.22 1.27 0.00 2.45 2.04 -1.06 -1.81 117.51 120.61 3flu h ILE 32 Ca 0.07 -1.21 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 3flu h ILE 32 Cb 0.05 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3flu h ILE 32 CO -0.01 0.43 -0.15 1.05 0.00 0.00 0.00 178.15 179.47 3flu h GLU 33 N 0.89 0.00 -0.51 2.37 4.11 -1.04 -2.65 114.58 117.76 3flu h GLU 33 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 3flu h GLU 33 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3flu h GLU 33 CO 0.04 0.15 0.00 0.09 0.07 0.00 0.00 179.01 179.36 3flu n ASN 34 N -3.69 3.07 0.00 3.06 3.02 -0.74 -4.96 115.26 115.03 3flu n ASN 34 Ca -0.02 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 3flu n ASN 34 Cb 0.27 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 3flu n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3flu n GLY 35 N 1.43 0.77 3.70 7.41 0.00 -1.00 -3.86 105.19 113.63 3flu n GLY 35 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 3flu n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3flu n THR 36 N -2.40 0.17 0.36 2.61 -1.04 -0.85 -4.84 114.28 108.29 3flu n THR 36 Ca 0.00 -0.04 0.12 0.00 -2.04 0.00 0.00 64.05 62.08 3flu n THR 36 Cb 0.00 -1.77 0.08 0.00 -1.82 0.00 0.00 70.33 66.82 3flu n THR 36 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3flu h ASP 37 N 6.06 0.00 -5.02 8.00 5.19 -0.71 -3.43 116.42 126.50 3flu h ASP 37 Ca -0.44 -0.14 0.19 0.00 -0.62 0.00 0.00 57.03 56.02 3flu h ASP 37 Cb 1.23 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.61 3flu h ASP 37 CO 0.90 0.07 0.60 -0.83 -3.12 0.00 0.00 179.24 176.86 3flu s GLY 38 N -3.97 -0.35 -0.12 2.75 0.00 -1.03 -4.16 107.32 100.44 3flu s GLY 38 Ca 0.03 0.73 -0.00 0.00 0.00 0.00 0.00 44.72 45.48 3flu s GLY 38 CO 0.76 0.21 -0.08 -0.42 0.00 0.00 0.00 173.10 173.57 3flu s ILE 39 N -2.95 1.09 -0.35 0.90 1.01 -0.59 -1.70 121.20 118.61 3flu s ILE 39 Ca 0.10 -0.34 -0.22 0.00 0.00 0.00 0.00 60.65 60.19 3flu s ILE 39 Cb -0.00 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.37 3flu s ILE 39 CO -0.04 0.37 0.74 -0.69 0.00 0.00 0.00 174.94 175.32 3flu s VAL 40 N 1.68 4.79 -0.13 2.92 1.01 0.07 -0.34 120.40 130.42 3flu s VAL 40 Ca 0.05 0.86 -0.07 0.00 0.00 0.00 0.00 61.98 62.82 3flu s VAL 40 Cb -0.13 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3flu s VAL 40 CO -0.09 -0.35 0.14 0.00 0.00 0.00 0.00 175.10 174.80 3flu s ALA 41 N 2.95 3.86 -1.46 5.51 0.00 0.67 -1.75 121.76 131.54 3flu s ALA 41 Ca 0.29 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.52 3flu s ALA 41 Cb -0.14 -1.99 0.05 0.00 0.00 0.00 0.00 23.12 21.04 3flu s ALA 41 CO 0.15 0.58 0.84 0.28 0.00 0.00 0.00 175.76 177.61 3flu n VAL 42 N 2.10 -2.00 -0.56 0.00 0.31 -1.26 -1.09 118.33 115.83 3flu n VAL 42 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3flu n VAL 42 Cb 0.55 -3.02 0.00 0.00 -0.91 0.00 0.00 33.84 30.46 3flu n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3flu n GLY 43 N -1.62 -0.72 0.16 2.92 0.00 -1.26 -3.95 105.19 100.73 3flu n GLY 43 Ca -0.01 -1.68 -0.05 0.00 0.00 0.00 0.00 46.02 44.28 3flu n GLY 43 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3flu h THR 44 N -0.39 0.83 0.00 2.61 2.02 -1.95 -0.79 112.91 115.23 3flu h THR 44 Ca 0.00 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3flu h THR 44 Cb 0.00 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3flu h THR 44 CO 0.00 0.04 -0.11 0.74 0.37 0.00 0.00 175.52 176.56 3flu h THR 45 N 0.23 0.36 -0.28 3.16 2.02 -1.88 -1.66 112.91 114.86 3flu h THR 45 Ca 0.18 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3flu h THR 45 Cb 0.20 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3flu h THR 45 CO -0.23 0.11 0.00 0.61 0.37 0.00 0.00 175.52 176.39 3flu n GLY 46 N -0.25 0.57 3.19 2.16 0.00 -0.34 -4.36 105.19 106.16 3flu n GLY 46 Ca -0.01 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 3flu n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3flu n GLU 47 N 0.33 -6.43 -0.34 1.61 1.02 -0.62 -4.37 120.64 111.84 3flu n GLU 47 Ca 0.10 0.67 0.20 0.00 -0.02 0.00 0.00 57.16 58.11 3flu n GLU 47 Cb 0.29 -5.25 0.43 0.00 -0.02 0.00 0.00 31.44 26.89 3flu n GLU 47 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3flu h SER 48 N -2.16 0.59 -0.06 1.62 4.64 -1.62 -1.66 113.55 114.90 3flu h SER 48 Ca -0.46 0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 60.95 3flu h SER 48 Cb 1.30 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 3flu h SER 48 CO 0.45 0.09 -0.02 0.00 -0.87 0.00 0.00 176.83 176.48 3flu h ALA 49 N 1.70 1.67 -0.14 5.18 0.00 -1.87 -3.10 119.26 122.69 3flu h ALA 49 Ca 0.64 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3flu h ALA 49 Cb 1.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3flu h ALA 49 CO -0.42 0.25 0.00 0.25 0.00 0.00 0.00 179.25 179.33 3flu n THR 50 N -4.38 0.35 -3.46 0.00 -2.24 -0.65 -4.94 114.28 98.96 3flu n THR 50 Ca -0.01 -0.67 -0.37 0.00 -2.27 0.00 0.00 64.05 60.73 3flu n THR 50 Cb 0.18 0.99 -0.06 0.00 -2.10 0.00 0.00 70.33 69.35 3flu n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3flu s LEU 51 N -1.01 4.46 0.95 3.22 1.02 -1.04 -5.06 118.68 121.21 3flu s LEU 51 Ca 0.18 1.01 -0.12 0.00 0.02 0.00 0.00 54.13 55.22 3flu s LEU 51 Cb 0.11 -2.75 0.16 0.00 0.02 0.00 0.00 46.19 43.73 3flu s LEU 51 CO 0.16 0.28 1.12 -0.94 0.02 0.00 0.00 176.35 176.99 3flu s SER 52 N -1.22 3.13 0.27 2.29 1.04 -1.26 -4.78 113.70 113.16 3flu s SER 52 Ca 0.27 1.06 -0.03 0.00 0.48 0.00 0.00 55.95 57.72 3flu s SER 52 Cb -0.17 -1.67 0.35 0.00 0.10 0.00 0.00 66.02 64.63 3flu s SER 52 CO 0.15 -2.80 1.88 0.58 0.98 0.00 0.00 173.24 174.03 3flu h VAL 53 N -1.67 1.23 -0.45 5.02 2.07 -1.98 -0.11 116.25 120.36 3flu h VAL 53 Ca -0.52 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 3flu h VAL 53 Cb 1.33 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3flu h VAL 53 CO 0.60 0.27 0.21 -0.33 0.02 0.00 0.00 177.57 178.34 3flu h GLU 54 N 1.06 0.64 -0.59 1.57 3.07 -2.00 -2.05 114.58 116.28 3flu h GLU 54 Ca 0.26 -0.10 -0.08 0.00 -0.50 0.00 0.00 59.36 58.94 3flu h GLU 54 Cb 0.08 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 3flu h GLU 54 CO -0.04 0.55 0.05 0.93 -1.40 0.00 0.00 179.01 179.11 3flu h GLU 55 N 0.58 0.99 0.04 2.33 5.08 -1.79 -0.80 114.58 121.01 3flu h GLU 55 Ca 0.15 -0.27 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3flu h GLU 55 Cb 0.13 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 3flu h GLU 55 CO -0.02 0.94 -0.36 0.45 -1.00 0.00 0.00 179.01 179.02 3flu h HIS 56 N 0.92 -1.00 -0.56 4.33 3.86 -0.78 0.83 115.15 122.75 3flu h HIS 56 Ca 0.18 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.49 3flu h HIS 56 Cb 0.46 0.43 -0.06 0.00 1.06 0.00 0.00 27.41 29.31 3flu h HIS 56 CO 0.03 -0.45 0.24 1.15 0.86 0.00 0.00 177.93 179.75 3flu h THR 57 N -0.54 0.85 -0.45 2.45 2.02 -1.29 -1.99 112.91 113.96 3flu h THR 57 Ca 0.05 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 3flu h THR 57 Cb 0.61 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 3flu h THR 57 CO -0.26 0.08 -0.01 0.00 0.37 0.00 0.00 175.52 175.70 3flu h ALA 58 N 1.35 1.14 -0.13 6.16 0.00 -0.56 -1.25 119.26 125.98 3flu h ALA 58 Ca 0.27 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3flu h ALA 58 Cb 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3flu h ALA 58 CO -0.24 0.55 -0.34 0.28 0.00 0.00 0.00 179.25 179.50 3flu h VAL 59 N 0.70 1.37 -0.39 0.00 2.07 -0.69 -1.84 116.25 117.47 3flu h VAL 59 Ca 0.14 -1.64 0.04 0.00 0.82 0.00 0.00 66.70 66.06 3flu h VAL 59 Cb 0.45 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 3flu h VAL 59 CO 0.02 0.49 0.17 0.40 0.02 0.00 0.00 177.57 178.67 3flu h ILE 60 N 0.05 0.94 -0.25 4.57 2.04 -1.19 0.04 117.51 123.71 3flu h ILE 60 Ca -0.01 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.78 3flu h ILE 60 Cb 0.96 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 3flu h ILE 60 CO 0.07 0.06 -0.02 -0.33 0.00 0.00 0.00 178.15 177.94 3flu h GLU 61 N 0.35 0.05 -0.41 2.37 5.08 -1.24 0.71 114.58 121.49 3flu h GLU 61 Ca 0.17 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3flu h GLU 61 Cb 0.11 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3flu h GLU 61 CO -0.14 0.03 0.18 0.00 -1.00 0.00 0.00 179.01 178.08 3flu h ALA 62 N 1.23 0.50 -0.18 3.43 0.00 -0.62 -1.17 119.26 122.44 3flu h ALA 62 Ca 0.12 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3flu h ALA 62 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3flu h ALA 62 CO -0.22 -0.20 -0.01 0.28 0.00 0.00 0.00 179.25 179.10 3flu h VAL 63 N 0.37 1.26 -0.62 0.00 2.07 -0.55 -1.59 116.25 117.19 3flu h VAL 63 Ca 0.18 -0.90 0.08 0.00 0.82 0.00 0.00 66.70 66.88 3flu h VAL 63 Cb 0.13 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 3flu h VAL 63 CO -0.15 0.27 0.27 0.58 0.02 0.00 0.00 177.57 178.56 3flu h VAL 64 N 0.06 0.83 -0.32 2.57 2.07 -0.76 0.32 116.25 121.03 3flu h VAL 64 Ca 0.05 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 3flu h VAL 64 Cb 0.41 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3flu h VAL 64 CO 0.01 0.09 -0.03 0.50 0.02 0.00 0.00 177.57 178.16 3flu h LYS 65 N 0.49 0.58 0.02 1.57 3.64 -1.08 -1.98 116.57 119.81 3flu h LYS 65 Ca 0.30 -0.20 -0.23 0.00 -1.27 0.00 0.00 60.65 59.25 3flu h LYS 65 Cb 0.32 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3flu h LYS 65 CO -0.26 0.74 -0.97 1.25 -2.27 0.00 0.00 179.45 177.94 3flu h HIS 66 N 0.37 0.55 -0.83 1.91 2.76 -1.04 -3.05 115.15 115.82 3flu h HIS 66 Ca 0.09 -0.31 -0.02 0.00 -2.20 0.00 0.00 60.37 57.92 3flu h HIS 66 Cb 0.50 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.36 3flu h HIS 66 CO 0.04 1.14 0.43 0.28 -1.30 0.00 0.00 177.93 178.53 3flu h VAL 67 N 0.19 1.25 -6.28 5.26 2.07 -0.89 -3.47 116.25 114.39 3flu h VAL 67 Ca -0.08 -0.65 -0.46 0.00 0.82 0.00 0.00 66.70 66.33 3flu h VAL 67 Cb 1.62 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3flu h VAL 67 CO 0.16 0.29 -0.81 0.00 0.02 0.00 0.00 177.57 177.23 3flu n ALA 68 N -2.39 -1.66 -0.97 1.67 0.00 -0.75 -1.97 120.51 114.44 3flu n ALA 68 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3flu n ALA 68 Cb 0.11 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 16.54 3flu n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3flu n LYS 69 N -4.47 -0.71 -0.11 0.00 4.76 -1.26 -4.88 118.16 111.48 3flu n LYS 69 Ca -0.14 0.18 -0.11 0.00 -2.87 0.00 0.00 58.31 55.38 3flu n LYS 69 Cb 0.60 -3.77 0.03 0.00 -1.84 0.00 0.00 35.03 30.05 3flu n LYS 69 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3flu h ARG 70 N 0.76 0.87 -4.57 1.97 3.08 -1.78 -3.45 114.38 111.26 3flu h ARG 70 Ca 0.00 -0.41 -0.22 0.00 0.07 0.00 0.00 59.98 59.42 3flu h ARG 70 Cb 0.36 -0.01 -0.15 0.00 0.08 0.00 0.00 29.97 30.25 3flu h ARG 70 CO 0.00 1.05 -0.67 0.14 -1.07 0.00 0.00 179.97 179.43 3flu s VAL 71 N -4.49 0.44 0.43 2.04 -7.23 -1.26 -5.09 120.40 105.23 3flu s VAL 71 Ca -0.10 -1.92 -0.25 0.00 -1.81 0.00 0.00 61.98 57.89 3flu s VAL 71 Cb 0.12 -1.92 -0.08 0.00 0.56 0.00 0.00 36.38 35.06 3flu s VAL 71 CO 0.86 -0.63 1.29 -2.16 -0.31 0.00 0.00 175.10 174.16 3flu s PRO 72 N -3.94 3.85 -0.23 4.82 0.04 -1.26 -4.87 135.00 133.40 3flu s PRO 72 Ca 0.19 2.12 -0.06 0.00 0.04 0.00 0.00 61.00 63.29 3flu s PRO 72 Cb 0.07 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 3flu s PRO 72 CO -0.01 -0.58 0.02 0.08 0.04 0.00 0.00 177.00 176.55 3flu s VAL 73 N -1.30 3.90 -0.20 -0.36 1.01 -1.26 -1.54 120.40 120.65 3flu s VAL 73 Ca 0.59 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.21 3flu s VAL 73 Cb -0.37 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 3flu s VAL 73 CO 0.47 0.38 0.01 -0.63 0.00 0.00 0.00 175.10 175.33 3flu s ILE 74 N 1.51 4.12 -0.20 2.22 1.01 0.54 -0.76 121.20 129.65 3flu s ILE 74 Ca 0.06 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 3flu s ILE 74 Cb -0.15 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 3flu s ILE 74 CO 0.01 0.43 0.11 0.00 0.00 0.00 0.00 174.94 175.49 3flu s ALA 75 N 0.89 3.58 0.08 9.38 0.00 0.50 -0.24 121.76 135.96 3flu s ALA 75 Ca 0.02 -0.73 -0.31 0.00 0.00 0.00 0.00 51.96 50.94 3flu s ALA 75 Cb -0.14 -2.10 -0.07 0.00 0.00 0.00 0.00 23.12 20.81 3flu s ALA 75 CO 0.02 0.13 1.41 0.20 0.00 0.00 0.00 175.76 177.52 3flu s GLY 76 N 0.43 1.92 -0.00 0.00 0.00 -0.25 0.23 107.32 109.65 3flu s GLY 76 Ca 0.06 1.07 0.00 0.00 0.00 0.00 0.00 44.72 45.85 3flu s GLY 76 CO -0.01 2.42 0.96 -1.30 0.00 0.00 0.00 173.10 175.18 3flu n THR 77 N 4.17 0.03 -2.10 0.90 -2.24 -0.05 -4.82 114.28 110.17 3flu n THR 77 Ca 0.12 -0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.50 3flu n THR 77 Cb 0.42 0.53 0.01 0.00 -2.10 0.00 0.00 70.33 69.19 3flu n THR 77 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3flu s GLY 78 N -0.95 2.79 0.06 3.38 0.00 -1.24 -4.55 107.32 106.82 3flu s GLY 78 Ca 0.00 1.04 -0.25 0.00 0.00 0.00 0.00 44.72 45.51 3flu s GLY 78 CO 0.00 1.49 0.59 0.00 0.00 0.00 0.00 173.10 175.18 3flu s ALA 79 N -1.51 -1.53 -0.39 3.20 0.00 -1.26 -4.86 121.76 115.40 3flu s ALA 79 Ca 0.69 0.73 0.11 0.00 0.00 0.00 0.00 51.96 53.49 3flu s ALA 79 Cb -0.31 0.47 0.66 0.00 0.00 0.00 0.00 23.12 23.94 3flu s ALA 79 CO 0.37 -0.57 1.53 0.27 0.00 0.00 0.00 175.76 177.36 3flu n ASN 80 N 0.24 4.77 -3.59 0.00 6.94 -1.26 -4.41 115.26 117.95 3flu n ASN 80 Ca -0.18 -2.79 -0.24 0.00 -0.02 0.00 0.00 54.58 51.35 3flu n ASN 80 Cb 0.61 -0.66 -0.16 0.00 -2.36 0.00 0.00 39.78 37.21 3flu n ASN 80 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3flu s ASN 81 N -0.64 2.03 0.32 0.53 3.84 -1.26 -4.89 114.94 114.86 3flu s ASN 81 Ca 0.44 -0.47 -0.00 0.00 0.21 0.00 0.00 52.86 53.04 3flu s ASN 81 Cb 0.34 -0.08 0.51 0.00 -0.55 0.00 0.00 41.25 41.46 3flu s ASN 81 CO 0.13 -0.34 1.97 0.74 -2.79 0.00 0.00 177.10 176.81 3flu h THR 82 N 6.40 1.20 -0.48 -5.21 2.02 -1.96 -1.09 112.91 113.78 3flu h THR 82 Ca -0.15 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 66.65 3flu h THR 82 Cb 1.15 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 3flu h THR 82 CO 0.28 0.20 0.32 0.58 0.37 0.00 0.00 175.52 177.26 3flu h VAL 83 N 1.00 1.12 -0.60 3.16 2.07 -1.98 -1.17 116.25 119.85 3flu h VAL 83 Ca 0.27 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 3flu h VAL 83 Cb -0.08 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 3flu h VAL 83 CO -0.05 0.12 0.14 -0.33 0.02 0.00 0.00 177.57 177.46 3flu h GLU 84 N 0.64 0.94 -0.49 1.57 5.08 -1.77 -2.07 114.58 118.49 3flu h GLU 84 Ca 0.18 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3flu h GLU 84 Cb -0.07 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3flu h GLU 84 CO -0.04 0.84 0.20 0.00 -1.00 0.00 0.00 179.01 179.01 3flu h ALA 85 N 1.25 0.63 -0.46 3.43 0.00 -0.86 -0.98 119.26 122.26 3flu h ALA 85 Ca 0.19 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3flu h ALA 85 Cb 0.33 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3flu h ALA 85 CO 0.00 0.23 0.18 0.82 0.00 0.00 0.00 179.25 180.48 3flu h ILE 86 N 0.64 0.88 -0.64 0.00 2.04 -1.01 0.06 117.51 119.47 3flu h ILE 86 Ca 0.16 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.90 3flu h ILE 86 Cb 0.18 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3flu h ILE 86 CO -0.01 0.07 0.42 0.00 0.00 0.00 0.00 178.15 178.63 3flu h ALA 87 N 1.29 0.82 -0.36 1.87 0.00 -1.01 0.12 119.26 121.99 3flu h ALA 87 Ca 0.21 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3flu h ALA 87 Cb 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3flu h ALA 87 CO -0.20 0.24 0.05 -0.07 0.00 0.00 0.00 179.25 179.26 3flu h LEU 88 N 0.86 0.59 -0.77 0.00 3.38 -0.84 -1.51 115.31 117.03 3flu h LEU 88 Ca 0.24 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3flu h LEU 88 Cb -0.09 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3flu h LEU 88 CO -0.06 0.71 0.45 0.28 0.09 0.00 0.00 178.44 179.91 3flu h SER 89 N 0.45 0.93 -0.51 -0.43 0.02 -0.68 -1.27 113.55 112.06 3flu h SER 89 Ca 0.11 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3flu h SER 89 Cb 0.38 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3flu h SER 89 CO 0.01 0.73 0.21 -0.61 -1.14 0.00 0.00 176.83 176.03 3flu h GLN 90 N 1.05 0.76 -0.99 3.45 5.75 -0.65 -1.36 115.11 123.12 3flu h GLN 90 Ca 0.27 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.65 3flu h GLN 90 Cb -0.02 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.36 3flu h GLN 90 CO -0.05 0.67 0.65 0.00 -2.65 0.00 0.00 178.83 177.44 3flu h ALA 91 N 1.06 1.28 -0.45 3.38 0.00 -1.04 -1.00 119.26 122.49 3flu h ALA 91 Ca 0.17 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3flu h ALA 91 Cb 0.19 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3flu h ALA 91 CO -0.02 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 3flu h ALA 92 N 1.37 0.61 -0.10 0.00 0.00 -0.84 -0.46 119.26 119.84 3flu h ALA 92 Ca 0.36 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3flu h ALA 92 Cb -0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3flu h ALA 92 CO -0.08 0.42 0.02 1.49 0.00 0.00 0.00 179.25 181.11 3flu h GLU 93 N 0.65 0.06 -0.21 0.00 4.81 -1.10 -1.45 114.58 117.34 3flu h GLU 93 Ca 0.12 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3flu h GLU 93 Cb 0.53 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3flu h GLU 93 CO 0.03 0.04 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.04 3flu h LYS 94 N 0.06 0.32 0.00 1.92 3.64 -1.08 -1.64 116.57 119.80 3flu h LYS 94 Ca 0.04 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3flu h LYS 94 Cb 0.04 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3flu h LYS 94 CO -0.06 0.43 0.00 0.00 -2.27 0.00 0.00 179.45 177.55 3flu n ALA 95 N -2.49 2.44 -0.57 5.00 0.00 -0.19 -4.91 120.51 119.79 3flu n ALA 95 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3flu n ALA 95 Cb 0.26 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3flu n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3flu n GLY 96 N 0.99 0.65 3.75 0.00 0.00 -0.62 -4.67 105.19 105.29 3flu n GLY 96 Ca 0.16 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 3flu n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3flu s ALA 97 N -2.00 2.48 -0.01 4.61 0.00 -0.59 -4.96 121.76 121.30 3flu s ALA 97 Ca 0.00 1.01 0.02 0.00 0.00 0.00 0.00 51.96 52.99 3flu s ALA 97 Cb 0.00 -3.46 -0.25 0.00 0.00 0.00 0.00 23.12 19.40 3flu s ALA 97 CO 0.00 -1.30 0.81 -0.44 0.00 0.00 0.00 175.76 174.83 3flu h ASP 98 N 0.69 0.23 -5.35 0.00 3.32 -1.28 -3.44 116.42 110.59 3flu h ASP 98 Ca -0.50 -0.36 -0.16 0.00 0.02 0.00 0.00 57.03 56.03 3flu h ASP 98 Cb 1.30 -0.08 -0.15 0.00 0.22 0.00 0.00 39.33 40.63 3flu h ASP 98 CO 0.54 1.31 -0.60 -0.31 -1.72 0.00 0.00 179.24 178.46 3flu s TYR 99 N -2.62 0.70 0.24 4.55 1.51 -0.93 -4.27 117.35 116.53 3flu s TYR 99 Ca -0.08 -1.11 0.09 0.00 -1.01 0.00 0.00 57.07 54.96 3flu s TYR 99 Cb 0.08 -0.39 -0.04 0.00 -0.11 0.00 0.00 41.96 41.49 3flu s TYR 99 CO 0.83 -0.52 -0.01 0.95 -1.11 0.00 0.00 175.55 175.69 3flu s THR 100 N -4.00 3.48 -0.16 -0.71 -4.23 -0.50 -0.37 115.64 109.15 3flu s THR 100 Ca 0.19 -1.79 -0.00 0.00 -1.18 0.00 0.00 61.69 58.91 3flu s THR 100 Cb 0.07 -2.82 0.04 0.00 1.34 0.00 0.00 72.50 71.12 3flu s THR 100 CO -0.02 -0.30 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.47 3flu s LEU 101 N -3.44 1.65 -0.18 4.79 2.96 0.13 -0.66 118.68 123.94 3flu s LEU 101 Ca 0.30 -0.62 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 3flu s LEU 101 Cb -0.07 -0.98 0.05 0.00 0.50 0.00 0.00 46.19 45.69 3flu s LEU 101 CO 0.19 -0.15 -0.01 -0.55 -1.32 0.00 0.00 176.35 174.51 3flu s SER 102 N 1.59 2.92 0.41 3.68 0.15 -0.08 -0.87 113.70 121.50 3flu s SER 102 Ca 0.02 -0.76 -0.22 0.00 0.70 0.00 0.00 55.95 55.68 3flu s SER 102 Cb -0.15 -0.79 -0.11 0.00 -1.71 0.00 0.00 66.02 63.27 3flu s SER 102 CO -0.08 -0.24 0.96 0.54 1.20 0.00 0.00 173.24 175.61 3flu s VAL 103 N 1.71 4.29 0.18 4.45 0.11 -1.26 -1.69 120.40 128.19 3flu s VAL 103 Ca -0.01 1.54 -0.33 0.00 -2.93 0.00 0.00 61.98 60.25 3flu s VAL 103 Cb -0.16 -3.69 -0.15 0.00 -1.53 0.00 0.00 36.38 30.85 3flu s VAL 103 CO -0.07 -0.20 1.36 0.52 -3.33 0.00 0.00 175.10 173.38 3flu n VAL 104 N -0.36 0.58 -1.60 2.04 0.31 -0.30 -4.47 118.33 114.53 3flu n VAL 104 Ca 0.06 -0.15 -0.47 0.00 -0.01 0.00 0.00 64.34 63.77 3flu n VAL 104 Cb 0.53 -1.19 -0.03 0.00 -0.91 0.00 0.00 33.84 32.24 3flu n VAL 104 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3flu n PRO 105 N 2.30 1.37 -4.12 5.55 -0.02 -1.26 -4.92 135.00 133.91 3flu n PRO 105 Ca 0.15 0.49 -0.23 0.00 -2.02 0.00 0.00 63.50 61.89 3flu n PRO 105 Cb 0.27 -1.98 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 3flu n PRO 105 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3flu s TYR 106 N -0.39 3.10 0.00 6.00 -0.85 -1.26 -4.48 117.35 119.47 3flu s TYR 106 Ca 0.68 -0.10 0.00 0.00 -0.52 0.00 0.00 57.07 57.14 3flu s TYR 106 Cb -0.78 -1.41 0.00 0.00 0.38 0.00 0.00 41.96 40.15 3flu s TYR 106 CO 0.54 0.53 0.00 0.98 -1.52 0.00 0.00 175.55 176.07 3flu n TYR 107 N -1.01 0.00 1.40 -3.49 9.36 -1.26 -4.45 117.16 117.71 3flu n TYR 107 Ca -0.08 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.28 3flu n TYR 107 Cb 0.57 0.00 0.55 0.00 -0.63 0.00 0.00 39.34 39.83 3flu n TYR 107 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3flu n ASN 108 N 2.33 0.74 -3.63 2.98 0.23 -1.26 -4.99 115.26 111.66 3flu n ASN 108 Ca 0.00 -0.81 -0.25 0.00 -0.53 0.00 0.00 54.58 52.99 3flu n ASN 108 Cb 0.00 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 37.74 3flu n ASN 108 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3flu n LYS 109 N -0.72 -2.53 -1.49 -3.83 5.02 -1.26 -4.92 118.16 108.43 3flu n LYS 109 Ca 0.15 0.57 -0.33 0.00 -2.02 0.00 0.00 58.31 56.68 3flu n LYS 109 Cb 0.30 -4.73 0.08 0.00 -0.02 0.00 0.00 35.03 30.66 3flu n LYS 109 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3flu s PRO 110 N -5.74 2.37 1.05 1.97 0.04 -1.26 -5.02 135.00 128.40 3flu s PRO 110 Ca 0.31 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 3flu s PRO 110 Cb -0.09 -1.89 0.22 0.00 0.04 0.00 0.00 34.50 32.77 3flu s PRO 110 CO 0.83 -1.60 1.08 -1.54 0.04 0.00 0.00 177.00 175.81 3flu s SER 111 N -2.60 2.14 0.26 6.66 1.04 -1.26 -4.74 113.70 115.20 3flu s SER 111 Ca 0.68 1.18 -0.02 0.00 0.48 0.00 0.00 55.95 58.26 3flu s SER 111 Cb -0.22 -1.85 0.45 0.00 0.10 0.00 0.00 66.02 64.50 3flu s SER 111 CO 0.47 -3.43 1.82 1.56 0.98 0.00 0.00 173.24 174.63 3flu h GLN 112 N -2.10 0.83 -0.61 4.02 1.08 -1.95 0.69 115.11 117.07 3flu h GLN 112 Ca -0.56 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 56.53 3flu h GLN 112 Cb 1.33 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 28.55 3flu h GLN 112 CO 0.56 0.55 0.14 1.49 -0.95 0.00 0.00 178.83 180.62 3flu h GLU 113 N 0.86 0.99 -0.80 1.46 4.57 -1.99 -0.35 114.58 119.32 3flu h GLU 113 Ca 0.43 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 58.38 3flu h GLU 113 Cb 0.41 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 3flu h GLU 113 CO -0.26 0.90 0.52 0.78 -1.18 0.00 0.00 179.01 179.78 3flu h GLY 114 N 0.90 1.12 0.95 1.92 0.00 -1.63 -0.17 103.07 106.17 3flu h GLY 114 Ca 0.19 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3flu h GLY 114 CO 0.00 0.41 0.17 -2.22 0.00 0.00 0.00 176.54 174.91 3flu h ILE 115 N 1.08 1.17 -0.05 2.60 2.04 -0.59 -0.16 117.51 123.60 3flu h ILE 115 Ca 0.29 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.70 3flu h ILE 115 Cb -0.12 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3flu h ILE 115 CO -0.06 0.18 -0.08 0.22 0.00 0.00 0.00 178.15 178.41 3flu h TYR 116 N 0.45 -0.19 -0.45 1.37 3.20 -0.88 -2.01 116.97 118.44 3flu h TYR 116 Ca 0.12 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 3flu h TYR 116 Cb 0.12 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3flu h TYR 116 CO -0.01 -0.12 0.01 1.96 -1.64 0.00 0.00 178.16 178.35 3flu h GLN 117 N -0.11 0.74 0.30 1.82 1.08 -0.79 0.56 115.11 118.71 3flu h GLN 117 Ca 0.05 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 3flu h GLN 117 Cb 0.18 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 3flu h GLN 117 CO -0.12 0.75 -0.41 1.25 -0.95 0.00 0.00 178.83 179.35 3flu h HIS 118 N 0.70 -1.13 -0.23 2.96 2.76 -0.84 0.15 115.15 119.51 3flu h HIS 118 Ca 0.14 0.02 -0.19 0.00 -2.20 0.00 0.00 60.37 58.14 3flu h HIS 118 Cb 0.42 0.46 0.00 0.00 1.55 0.00 0.00 27.41 29.83 3flu h HIS 118 CO 0.02 -0.55 -0.60 0.74 -1.30 0.00 0.00 177.93 176.25 3flu h PHE 119 N -0.77 0.96 -0.47 5.26 0.04 -1.10 -1.51 116.94 119.36 3flu h PHE 119 Ca -0.02 -0.36 0.01 0.00 2.80 0.00 0.00 57.97 60.40 3flu h PHE 119 Cb 0.72 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 3flu h PHE 119 CO -0.27 1.16 0.30 -0.22 -0.60 0.00 0.00 178.31 178.69 3flu h LYS 120 N 0.57 0.60 -0.43 1.51 3.64 -0.91 -0.46 116.57 121.08 3flu h LYS 120 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3flu h LYS 120 Cb 1.19 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 3flu h LYS 120 CO 0.12 0.40 0.29 1.15 -2.27 0.00 0.00 179.45 179.14 3flu h THR 121 N 0.62 1.11 -0.21 1.00 2.02 -0.78 -0.84 112.91 115.83 3flu h THR 121 Ca 0.18 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 3flu h THR 121 Cb -0.05 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3flu h THR 121 CO -0.05 0.11 0.11 0.40 0.37 0.00 0.00 175.52 176.46 3flu h ILE 122 N 0.59 1.11 -0.67 3.11 2.04 -0.99 -2.46 117.51 120.23 3flu h ILE 122 Ca 0.16 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3flu h ILE 122 Cb -0.07 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3flu h ILE 122 CO -0.03 0.10 0.44 0.00 0.00 0.00 0.00 178.15 178.66 3flu h ALA 123 N 1.00 0.85 0.00 1.87 0.00 -0.82 -2.44 119.26 119.73 3flu h ALA 123 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3flu h ALA 123 Cb 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3flu h ALA 123 CO -0.01 0.27 0.00 0.93 0.00 0.00 0.00 179.25 180.44 3flu h GLU 124 N 0.90 0.00 0.00 0.00 5.08 -1.07 -3.03 114.58 116.46 3flu h GLU 124 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3flu h GLU 124 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3flu h GLU 124 CO -0.05 0.00 -0.89 0.00 -1.00 0.00 0.00 179.01 177.07 3flu n ALA 125 N -2.01 2.89 -2.39 3.43 0.00 -0.94 -4.97 120.51 116.53 3flu n ALA 125 Ca 0.01 -0.29 -0.19 0.00 0.00 0.00 0.00 53.44 52.97 3flu n ALA 125 Cb 0.28 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 3flu n ALA 125 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3flu s THR 126 N -3.25 0.81 -0.34 0.00 -4.23 -1.06 -5.04 115.64 102.54 3flu s THR 126 Ca 0.03 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.65 3flu s THR 126 Cb 0.12 -2.68 -0.14 0.00 1.34 0.00 0.00 72.50 71.14 3flu s THR 126 CO 0.77 0.00 0.39 -1.20 -0.54 0.00 0.00 174.62 174.04 3flu n SER 127 N -0.64 1.21 -4.75 3.99 7.64 -1.26 -4.86 113.62 114.95 3flu n SER 127 Ca -0.01 -0.48 -0.40 0.00 1.01 0.00 0.00 58.87 58.99 3flu n SER 127 Cb 0.66 1.20 -0.05 0.00 -1.01 0.00 0.00 64.21 65.01 3flu n SER 127 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3flu s ILE 128 N -2.33 3.95 0.31 0.44 2.07 -1.26 -4.97 121.20 119.41 3flu s ILE 128 Ca 0.01 1.84 -0.29 0.00 -1.41 0.00 0.00 60.65 60.80 3flu s ILE 128 Cb 0.08 -4.17 -0.10 0.00 0.13 0.00 0.00 42.46 38.40 3flu s ILE 128 CO 0.47 0.39 1.39 -2.84 -1.91 0.00 0.00 174.94 172.44 3flu s PRO 129 N -0.89 4.27 -0.12 3.50 0.02 -1.26 -4.84 135.00 135.68 3flu s PRO 129 Ca 0.45 2.33 0.02 0.00 0.02 0.00 0.00 61.00 63.81 3flu s PRO 129 Cb -0.28 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.17 3flu s PRO 129 CO 0.35 -0.34 -0.18 1.41 -0.33 0.00 0.00 177.00 177.90 3flu s MET 130 N -1.38 3.22 -0.33 5.54 1.75 0.68 -1.41 119.30 127.37 3flu s MET 130 Ca 0.53 -0.77 -0.17 0.00 -1.25 0.00 0.00 55.69 54.03 3flu s MET 130 Cb -0.42 -2.48 -0.01 0.00 2.84 0.00 0.00 34.83 34.76 3flu s MET 130 CO 0.52 0.20 0.46 0.42 -0.65 0.00 0.00 175.02 175.97 3flu s ILE 131 N 0.33 5.08 0.50 10.11 1.01 0.17 -1.09 121.20 137.31 3flu s ILE 131 Ca -0.14 0.34 -0.15 0.00 0.00 0.00 0.00 60.65 60.69 3flu s ILE 131 Cb -0.17 -3.88 -0.07 0.00 0.01 0.00 0.00 42.46 38.35 3flu s ILE 131 CO 0.07 -0.11 0.95 0.27 0.00 0.00 0.00 174.94 176.12 3flu s ILE 132 N 2.25 4.59 -0.17 2.92 -4.36 -0.67 -0.90 121.20 124.86 3flu s ILE 132 Ca 0.17 1.08 -0.04 0.00 -0.26 0.00 0.00 60.65 61.59 3flu s ILE 132 Cb -0.16 -3.73 0.06 0.00 1.25 0.00 0.00 42.46 39.88 3flu s ILE 132 CO 0.12 -0.70 0.07 -0.47 0.24 0.00 0.00 174.94 174.21 3flu s TYR 133 N -2.62 0.43 -0.27 1.37 5.04 -0.68 -0.19 117.35 120.42 3flu s TYR 133 Ca 0.57 -0.44 -0.10 0.00 -2.44 0.00 0.00 57.07 54.66 3flu s TYR 133 Cb -0.10 -0.78 -0.05 0.00 0.35 0.00 0.00 41.96 41.38 3flu s TYR 133 CO 0.33 -0.52 0.17 1.21 -1.34 0.00 0.00 175.55 175.40 3flu s ASN 134 N 2.06 5.90 -0.43 4.32 2.47 -0.40 -1.15 114.94 127.72 3flu s ASN 134 Ca 0.01 -0.02 0.06 0.00 0.42 0.00 0.00 52.86 53.33 3flu s ASN 134 Cb -0.16 -2.09 0.21 0.00 -1.45 0.00 0.00 41.25 37.76 3flu s ASN 134 CO -0.08 -0.03 0.51 0.55 -3.72 0.00 0.00 177.10 174.33 3flu n VAL 135 N 4.93 -0.75 0.26 -5.21 3.14 -1.26 -1.40 118.33 118.04 3flu n VAL 135 Ca -0.14 -3.09 0.17 0.00 -2.96 0.00 0.00 64.34 58.31 3flu n VAL 135 Cb 0.52 -1.06 0.91 0.00 -1.06 0.00 0.00 33.84 33.15 3flu n VAL 135 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3flu h PRO 136 N 4.82 0.00 0.00 1.45 0.11 -1.88 0.58 132.00 137.08 3flu h PRO 136 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3flu h PRO 136 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3flu h PRO 136 CO 0.35 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.55 3flu n GLY 137 N -1.33 -0.75 0.00 -0.55 0.00 -1.26 -1.11 105.19 100.19 3flu n GLY 137 Ca -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 3flu n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3flu n ARG 138 N -1.68 3.76 -0.00 1.61 1.74 0.11 -4.81 116.66 117.38 3flu n ARG 138 Ca 0.01 -0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.19 3flu n ARG 138 Cb 0.07 -1.00 -0.12 0.00 -1.02 0.00 0.00 32.46 30.38 3flu n ARG 138 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3flu n THR 139 N -1.97 0.00 0.00 0.55 -2.24 -0.65 -4.75 114.28 105.21 3flu n THR 139 Ca -0.00 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3flu n THR 139 Cb 0.47 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 3flu n THR 139 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3flu n VAL 140 N -1.62 0.00 -2.08 2.28 0.31 -0.27 -4.42 118.33 112.54 3flu n VAL 140 Ca 0.02 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.99 3flu n VAL 140 Cb 0.36 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.31 3flu n VAL 140 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3flu s VAL 141 N 0.00 2.76 -0.11 2.52 -7.23 -1.26 -4.82 120.40 112.26 3flu s VAL 141 Ca 0.00 0.49 0.03 0.00 -1.81 0.00 0.00 61.98 60.69 3flu s VAL 141 Cb 0.00 -3.21 0.01 0.00 0.56 0.00 0.00 36.38 33.74 3flu s VAL 141 CO 0.00 -0.08 -0.18 -0.55 -0.31 0.00 0.00 175.10 173.97 3flu s SER 142 N -1.55 2.63 -0.33 4.85 0.15 -1.26 -4.34 113.70 113.85 3flu s SER 142 Ca 0.74 -0.48 -0.29 0.00 0.70 0.00 0.00 55.95 56.63 3flu s SER 142 Cb -0.30 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 3flu s SER 142 CO 0.33 0.07 1.31 -0.32 1.20 0.00 0.00 173.24 175.83 3flu s MET 143 N 0.73 3.85 0.92 5.44 0.00 -1.26 -4.98 119.30 123.99 3flu s MET 143 Ca -0.11 1.16 -0.11 0.00 0.00 0.00 0.00 55.69 56.62 3flu s MET 143 Cb -0.16 -3.90 0.14 0.00 0.00 0.00 0.00 34.83 30.91 3flu s MET 143 CO 0.02 -1.21 1.10 0.95 0.00 0.00 0.00 175.02 175.88 3flu s THR 144 N 4.55 2.50 0.25 10.11 -4.23 -1.26 -4.81 115.64 122.75 3flu s THR 144 Ca 0.57 0.16 -0.04 0.00 -1.18 0.00 0.00 61.69 61.20 3flu s THR 144 Cb -0.16 -2.42 0.22 0.00 1.34 0.00 0.00 72.50 71.48 3flu s THR 144 CO 0.25 -0.21 1.82 0.78 -0.54 0.00 0.00 174.62 176.72 3flu h ASN 145 N -1.74 0.74 -0.65 3.99 2.35 -1.96 -1.35 115.58 116.97 3flu h ASN 145 Ca -0.48 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.35 3flu h ASN 145 Cb 1.27 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 39.49 3flu h ASN 145 CO 0.48 0.44 0.39 0.44 -1.65 0.00 0.00 177.43 177.53 3flu h ASP 146 N 0.86 0.61 -0.65 5.81 3.32 -1.99 0.18 116.42 124.55 3flu h ASP 146 Ca 0.40 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.38 3flu h ASP 146 Cb 0.31 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3flu h ASP 146 CO -0.23 0.42 0.12 0.74 -1.72 0.00 0.00 179.24 178.57 3flu h THR 147 N 0.74 1.26 -0.51 0.35 2.02 -1.81 -1.70 112.91 113.27 3flu h THR 147 Ca 0.27 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 66.45 3flu h THR 147 Cb 0.08 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3flu h THR 147 CO -0.13 0.38 0.33 0.40 0.37 0.00 0.00 175.52 176.87 3flu h ILE 148 N 0.99 1.12 0.00 3.11 2.04 -0.84 -1.52 117.51 122.41 3flu h ILE 148 Ca 0.20 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.73 3flu h ILE 148 Cb 0.42 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3flu h ILE 148 CO 0.01 0.12 -0.44 -0.07 0.00 0.00 0.00 178.15 177.77 3flu h LEU 149 N 0.68 0.00 -0.22 1.44 3.38 -0.83 0.31 115.31 120.07 3flu h LEU 149 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3flu h LEU 149 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3flu h LEU 149 CO -0.05 0.44 0.07 0.03 0.09 0.00 0.00 178.44 179.02 3flu h ARG 150 N 0.00 0.34 -0.21 1.13 3.08 -1.13 -2.99 114.38 114.60 3flu h ARG 150 Ca -0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3flu h ARG 150 Cb 0.94 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 3flu h ARG 150 CO 0.06 0.43 0.08 -0.07 -1.07 0.00 0.00 179.97 179.40 3flu h LEU 151 N 0.18 0.26 -2.49 3.04 3.38 -0.72 -2.60 115.31 116.36 3flu h LEU 151 Ca 0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3flu h LEU 151 Cb 0.24 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3flu h LEU 151 CO -0.00 0.25 -0.01 0.00 0.09 0.00 0.00 178.44 178.76 3flu h ALA 152 N 1.80 1.06 0.00 1.53 0.00 -0.79 -1.42 119.26 121.44 3flu h ALA 152 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3flu h ALA 152 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3flu h ALA 152 CO -0.01 0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.65 3flu n GLU 153 N -3.19 0.07 -3.02 0.00 1.02 -0.98 -4.76 120.64 109.78 3flu n GLU 153 Ca -0.02 0.20 -0.40 0.00 -0.02 0.00 0.00 57.16 56.92 3flu n GLU 153 Cb 0.14 -1.61 -0.05 0.00 -0.02 0.00 0.00 31.44 29.91 3flu n GLU 153 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3flu s ILE 154 N -3.07 5.01 0.19 -3.67 1.09 -0.53 -4.99 121.20 115.23 3flu s ILE 154 Ca 0.09 1.46 -0.22 0.00 -1.10 0.00 0.00 60.65 60.88 3flu s ILE 154 Cb 0.13 -4.05 0.11 0.00 -1.06 0.00 0.00 42.46 37.59 3flu s ILE 154 CO 0.41 0.19 1.57 -0.65 -0.10 0.00 0.00 174.94 176.36 3flu h PRO 155 N 6.94 -0.13 -0.62 2.79 0.11 -1.87 -1.79 132.00 137.43 3flu h PRO 155 Ca -0.38 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3flu h PRO 155 Cb 1.18 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3flu h PRO 155 CO 0.77 -0.09 0.00 0.27 -0.21 0.00 0.00 178.00 178.74 3flu n ASN 156 N -5.43 5.21 -4.46 -2.05 6.94 -1.26 -4.67 115.26 109.55 3flu n ASN 156 Ca 0.05 -2.73 -0.44 0.00 -0.02 0.00 0.00 54.58 51.44 3flu n ASN 156 Cb 0.36 -0.64 -0.07 0.00 -2.36 0.00 0.00 39.78 37.07 3flu n ASN 156 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3flu s ILE 157 N -2.39 4.93 -0.26 1.53 1.01 -0.67 -0.23 121.20 125.11 3flu s ILE 157 Ca 0.51 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.74 3flu s ILE 157 Cb 0.37 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.61 3flu s ILE 157 CO 0.18 -0.71 0.39 1.33 0.00 0.00 0.00 174.94 176.14 3flu n VAL 158 N 5.59 0.00 -3.91 2.92 0.24 -0.25 -4.70 118.33 118.21 3flu n VAL 158 Ca -0.07 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 3flu n VAL 158 Cb 0.46 1.04 0.01 0.00 -1.47 0.00 0.00 33.84 33.88 3flu n VAL 158 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3flu n GLY 159 N 0.53 0.47 2.89 7.63 0.00 -1.20 -1.05 105.19 114.46 3flu n GLY 159 Ca 0.01 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 3flu n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3flu s VAL 160 N -2.08 -0.01 -0.29 1.61 0.11 0.23 -1.67 120.40 118.29 3flu s VAL 160 Ca 0.23 0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 59.19 3flu s VAL 160 Cb -0.01 -0.06 -0.03 0.00 -1.53 0.00 0.00 36.38 34.74 3flu s VAL 160 CO 0.02 0.01 0.17 -0.75 -3.33 0.00 0.00 175.10 171.22 3flu s LYS 161 N 0.13 3.71 -0.36 1.54 2.20 0.73 -0.76 119.74 126.93 3flu s LYS 161 Ca -0.01 -0.47 -0.02 0.00 -0.36 0.00 0.00 55.97 55.10 3flu s LYS 161 Cb -0.01 -3.61 0.08 0.00 -1.51 0.00 0.00 37.83 32.77 3flu s LYS 161 CO -0.00 -0.27 0.11 -2.00 -0.36 0.00 0.00 175.35 172.83 3flu s GLU 162 N 1.70 2.17 0.00 4.03 -6.30 0.12 -1.27 118.70 119.15 3flu s GLU 162 Ca 0.06 -1.57 0.23 0.00 -2.50 0.00 0.00 54.97 51.20 3flu s GLU 162 Cb -0.16 -3.40 0.40 0.00 0.00 0.00 0.00 34.13 30.96 3flu s GLU 162 CO 0.09 -0.87 1.38 0.00 0.02 0.00 0.00 175.26 175.88 3flu n ALA 163 N 4.60 2.44 0.10 6.30 0.00 -0.49 -1.22 120.51 132.24 3flu n ALA 163 Ca -0.07 -0.88 0.05 0.00 0.00 0.00 0.00 53.44 52.54 3flu n ALA 163 Cb 0.42 -0.88 0.48 0.00 0.00 0.00 0.00 19.45 19.47 3flu n ALA 163 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3flu h SER 164 N 4.38 0.28 0.00 0.00 4.64 -1.90 -3.41 113.55 117.55 3flu h SER 164 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3flu h SER 164 Cb 0.95 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3flu h SER 164 CO 0.00 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 3flu n GLY 165 N -1.35 0.28 3.54 -0.77 0.00 -1.26 -4.95 105.19 100.67 3flu n GLY 165 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3flu n GLY 165 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3flu s ASN 166 N -2.00 6.66 0.33 1.61 3.84 -1.26 -4.86 114.94 119.26 3flu s ASN 166 Ca 0.00 -1.93 0.10 0.00 0.21 0.00 0.00 52.86 51.24 3flu s ASN 166 Cb 0.00 -2.53 0.59 0.00 -0.55 0.00 0.00 41.25 38.76 3flu s ASN 166 CO 0.00 -1.29 1.76 0.40 -2.79 0.00 0.00 177.10 175.19 3flu h ILE 167 N 6.15 1.29 -0.21 -5.21 1.08 -1.98 0.13 117.51 118.76 3flu h ILE 167 Ca 0.27 -1.41 -0.01 0.00 -0.39 0.00 0.00 64.86 63.32 3flu h ILE 167 Cb 0.96 1.70 -0.01 0.00 -3.07 0.00 0.00 36.82 36.40 3flu h ILE 167 CO 1.37 0.41 0.11 1.23 -0.69 0.00 0.00 178.15 180.58 3flu h GLY 168 N 1.20 0.32 0.97 5.37 0.00 -2.01 0.05 103.07 108.98 3flu h GLY 168 Ca 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3flu h GLY 168 CO 0.06 0.14 0.23 0.23 0.00 0.00 0.00 176.54 177.20 3flu h SER 169 N 0.22 0.67 -0.93 0.19 0.87 -1.92 -3.10 113.55 109.55 3flu h SER 169 Ca 0.07 -0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.53 3flu h SER 169 Cb 0.09 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 61.82 3flu h SER 169 CO -0.01 0.62 0.60 0.78 -0.53 0.00 0.00 176.83 178.29 3flu h ASN 170 N 0.67 1.01 -0.62 6.23 -0.26 -0.58 -2.36 115.58 119.67 3flu h ASN 170 Ca 0.17 -0.01 0.05 0.00 -0.56 0.00 0.00 56.30 55.95 3flu h ASN 170 Cb 0.14 -0.23 -0.05 0.00 -1.06 0.00 0.00 38.32 37.12 3flu h ASN 170 CO -0.02 0.70 0.35 0.40 -1.06 0.00 0.00 177.43 177.79 3flu h ILE 171 N 1.18 1.00 -0.88 2.81 2.04 -0.92 0.72 117.51 123.45 3flu h ILE 171 Ca 0.37 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 3flu h ILE 171 Cb -0.01 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 3flu h ILE 171 CO -0.12 0.12 0.52 -0.33 0.00 0.00 0.00 178.15 178.34 3flu h GLU 172 N 0.66 1.20 -0.15 2.37 5.08 -1.42 -0.99 114.58 121.34 3flu h GLU 172 Ca 0.27 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3flu h GLU 172 Cb 0.12 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3flu h GLU 172 CO -0.15 0.85 0.03 1.25 -1.00 0.00 0.00 179.01 179.99 3flu h LEU 173 N 1.22 0.24 -0.72 1.33 5.85 -0.89 -1.32 115.31 121.02 3flu h LEU 173 Ca 0.31 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3flu h LEU 173 Cb -0.03 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 3flu h LEU 173 CO -0.06 0.42 0.41 0.40 -0.34 0.00 0.00 178.44 179.27 3flu h ILE 174 N 0.04 0.96 0.00 4.05 2.04 -0.65 -0.21 117.51 123.74 3flu h ILE 174 Ca 0.05 -0.25 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 3flu h ILE 174 Cb 0.28 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3flu h ILE 174 CO 0.00 0.13 -0.53 0.78 0.00 0.00 0.00 178.15 178.53 3flu h ASN 175 N 0.73 0.00 0.70 1.72 2.35 -0.98 -3.19 115.58 116.91 3flu h ASN 175 Ca 0.33 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.95 3flu h ASN 175 Cb 0.23 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3flu h ASN 175 CO -0.20 0.53 -1.40 0.54 -1.65 0.00 0.00 177.43 175.25 3flu n ARG 176 N -3.59 0.62 -1.75 0.81 3.00 -0.51 -4.95 116.66 110.29 3flu n ARG 176 Ca -0.00 0.17 -0.42 0.00 -0.01 0.00 0.00 57.85 57.59 3flu n ARG 176 Cb 0.61 -1.79 -0.01 0.00 0.00 0.00 0.00 32.46 31.27 3flu n ARG 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3flu n ALA 177 N -2.36 2.33 -1.20 7.54 0.00 -0.12 -4.94 120.51 121.76 3flu n ALA 177 Ca -0.08 0.36 -0.33 0.00 0.00 0.00 0.00 53.44 53.39 3flu n ALA 177 Cb 0.78 -2.43 0.10 0.00 0.00 0.00 0.00 19.45 17.91 3flu n ALA 177 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3flu s PRO 178 N -1.10 2.01 0.13 0.00 0.04 -1.26 -4.91 135.00 129.91 3flu s PRO 178 Ca 0.60 1.52 -0.34 0.00 0.04 0.00 0.00 61.00 62.82 3flu s PRO 178 Cb -0.50 -1.84 -0.14 0.00 0.04 0.00 0.00 34.50 32.06 3flu s PRO 178 CO 0.54 -1.89 1.58 -1.91 0.04 0.00 0.00 177.00 175.37 3flu n GLU 179 N -3.20 2.06 0.00 4.56 2.13 -1.26 -2.00 120.64 122.93 3flu n GLU 179 Ca 0.12 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.68 3flu n GLU 179 Cb 0.52 -2.51 0.00 0.00 0.27 0.00 0.00 31.44 29.72 3flu n GLU 179 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3flu n GLY 180 N 3.41 1.21 3.60 8.31 0.00 -1.26 -5.02 105.19 115.44 3flu n GLY 180 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3flu n GLY 180 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3flu s PHE 181 N -2.40 3.16 0.06 1.61 5.36 -0.85 -4.90 117.98 120.02 3flu s PHE 181 Ca 0.00 0.69 -0.28 0.00 -0.96 0.00 0.00 56.93 56.39 3flu s PHE 181 Cb 0.00 -3.30 -0.05 0.00 -0.34 0.00 0.00 43.02 39.32 3flu s PHE 181 CO 0.00 -0.64 0.87 0.54 -1.46 0.00 0.00 175.22 174.53 3flu s VAL 182 N 3.02 4.66 -0.24 3.12 0.11 -0.21 -4.81 120.40 126.05 3flu s VAL 182 Ca 0.32 1.86 0.01 0.00 -2.93 0.00 0.00 61.98 61.24 3flu s VAL 182 Cb -0.14 -4.23 0.04 0.00 -1.53 0.00 0.00 36.38 30.53 3flu s VAL 182 CO 0.15 0.32 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.43 3flu s VAL 183 N 0.12 2.38 -0.02 2.04 1.01 -1.26 -0.60 120.40 124.07 3flu s VAL 183 Ca 0.44 -1.30 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3flu s VAL 183 Cb -0.22 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 3flu s VAL 183 CO 0.26 0.16 -0.26 -0.76 0.00 0.00 0.00 175.10 174.50 3flu s LEU 184 N 1.21 2.05 0.31 3.92 1.43 0.06 -0.86 118.68 126.80 3flu s LEU 184 Ca -0.03 -0.46 -0.28 0.00 -1.03 0.00 0.00 54.13 52.33 3flu s LEU 184 Cb -0.17 -1.32 -0.09 0.00 0.03 0.00 0.00 46.19 44.63 3flu s LEU 184 CO -0.06 0.31 1.08 -0.55 0.23 0.00 0.00 176.35 177.35 3flu s SER 185 N -0.59 7.15 -0.14 2.29 0.15 -0.38 -0.70 113.70 121.47 3flu s SER 185 Ca 0.09 2.19 0.18 0.00 0.70 0.00 0.00 55.95 59.12 3flu s SER 185 Cb -0.10 -2.61 0.36 0.00 -1.71 0.00 0.00 66.02 61.95 3flu s SER 185 CO -0.01 -0.22 1.23 0.61 1.20 0.00 0.00 173.24 176.05 3flu n GLY 186 N 0.98 4.63 2.73 9.45 0.00 -0.36 -0.60 105.19 122.03 3flu n GLY 186 Ca 0.00 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 3flu n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3flu s ASP 187 N -2.60 3.74 0.47 1.61 2.15 -1.26 -4.61 116.67 116.17 3flu s ASP 187 Ca 0.35 -1.41 0.21 0.00 0.43 0.00 0.00 52.55 52.13 3flu s ASP 187 Cb 0.30 -0.78 1.21 0.00 -0.30 0.00 0.00 42.92 43.34 3flu s ASP 187 CO 0.05 -0.38 1.93 0.44 -0.17 0.00 0.00 175.17 177.03 3flu h ASP 188 N 8.14 0.23 0.05 -0.34 3.32 -1.92 -0.58 116.42 125.31 3flu h ASP 188 Ca -0.15 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3flu h ASP 188 Cb 1.04 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 3flu h ASP 188 CO 0.44 0.11 -0.05 0.45 -1.72 0.00 0.00 179.24 178.47 3flu h HIS 189 N 0.24 0.01 0.00 4.55 3.86 -1.95 -2.81 115.15 119.04 3flu h HIS 189 Ca 0.35 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 3flu h HIS 189 Cb 1.04 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.51 3flu h HIS 189 CO -0.00 0.06 -0.02 0.25 0.86 0.00 0.00 177.93 179.08 3flu n THR 190 N -4.48 1.37 -0.16 2.45 -2.24 -0.32 -4.79 114.28 106.10 3flu n THR 190 Ca -0.03 -1.55 -0.04 0.00 -2.27 0.00 0.00 64.05 60.16 3flu n THR 190 Cb 0.13 0.16 0.05 0.00 -2.10 0.00 0.00 70.33 68.57 3flu n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3flu h ALA 191 N 0.00 0.62 0.42 6.98 0.00 -1.03 -1.62 119.26 124.63 3flu h ALA 191 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3flu h ALA 191 Cb 0.78 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3flu h ALA 191 CO 0.00 -0.13 -0.46 1.25 0.00 0.00 0.00 179.25 179.90 3flu h LEU 192 N 0.45 -1.29 -1.29 0.00 5.85 -1.87 -1.54 115.31 115.63 3flu h LEU 192 Ca 0.22 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.99 3flu h LEU 192 Cb 0.16 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3flu h LEU 192 CO -0.18 -0.60 -0.13 1.55 -0.34 0.00 0.00 178.44 178.74 3flu h PRO 193 N -0.89 0.32 -0.36 5.25 0.13 -1.91 -1.34 132.00 133.19 3flu h PRO 193 Ca -0.05 -0.08 0.06 0.00 -0.87 0.00 0.00 66.00 65.06 3flu h PRO 193 Cb 0.78 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.82 3flu h PRO 193 CO -0.08 0.46 0.04 0.35 -0.23 0.00 0.00 178.00 178.54 3flu h PHE 194 N 0.30 0.06 -0.32 1.56 3.04 -1.06 -0.85 116.94 119.67 3flu h PHE 194 Ca 0.06 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.93 3flu h PHE 194 Cb 0.42 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 3flu h PHE 194 CO 0.01 -0.02 -0.21 0.52 -2.02 0.00 0.00 178.31 176.58 3flu h MET 195 N 0.15 0.71 0.00 1.11 2.86 -1.08 -0.53 114.93 118.14 3flu h MET 195 Ca 0.17 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3flu h MET 195 Cb 0.22 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 3flu h MET 195 CO -0.26 0.94 -0.02 -0.07 1.06 0.00 0.00 176.91 178.57 3flu h LEU 196 N 0.47 0.00 -1.32 1.22 3.38 -1.00 -1.85 115.31 116.22 3flu h LEU 196 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3flu h LEU 196 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3flu h LEU 196 CO 0.06 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3flu n GLY 198 N 1.08 0.90 3.76 0.00 0.00 -0.70 -4.92 105.19 105.32 3flu n GLY 198 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3flu n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3flu s GLY 199 N -0.27 2.41 0.14 -0.02 0.00 -0.22 -4.95 107.32 104.41 3flu s GLY 199 Ca 0.00 0.74 0.24 0.00 0.00 0.00 0.00 44.72 45.70 3flu s GLY 199 CO 0.00 1.10 1.37 0.45 0.00 0.00 0.00 173.10 176.03 3flu h HIS 200 N 0.50 0.00 0.00 1.90 3.86 -1.31 -3.41 115.15 116.69 3flu h HIS 200 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 3flu h HIS 200 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 3flu h HIS 200 CO 0.52 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.72 3flu n GLY 201 N 1.33 -1.11 2.96 2.45 0.00 -1.26 -2.19 105.19 107.37 3flu n GLY 201 Ca 0.03 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 3flu n GLY 201 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3flu s VAL 202 N -3.00 -0.03 -0.46 1.61 1.01 -0.56 -1.25 120.40 117.72 3flu s VAL 202 Ca 0.00 0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 3flu s VAL 202 Cb 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.17 3flu s VAL 202 CO 0.00 0.05 0.62 -0.63 0.00 0.00 0.00 175.10 175.15 3flu s ILE 203 N 0.88 4.85 -0.06 2.22 1.01 0.23 -1.16 121.20 129.18 3flu s ILE 203 Ca -0.07 -0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.53 3flu s ILE 203 Cb -0.09 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 38.16 3flu s ILE 203 CO -0.05 -0.65 -0.21 0.28 0.00 0.00 0.00 174.94 174.31 3flu s THR 204 N 2.73 1.74 -0.03 2.92 -1.32 -0.16 -4.42 115.64 117.10 3flu s THR 204 Ca 0.20 -0.88 -0.13 0.00 -1.21 0.00 0.00 61.69 59.66 3flu s THR 204 Cb -0.16 -1.49 -0.32 0.00 -1.51 0.00 0.00 72.50 69.02 3flu s THR 204 CO 0.16 0.49 0.77 0.58 -2.21 0.00 0.00 174.62 174.41 3flu h VAL 205 N 5.25 1.05 -0.71 5.08 2.07 -1.89 -0.98 116.25 126.12 3flu h VAL 205 Ca -0.31 -2.56 0.10 0.00 0.82 0.00 0.00 66.70 64.75 3flu h VAL 205 Cb 1.18 2.85 -0.05 0.00 -1.52 0.00 0.00 31.29 33.76 3flu h VAL 205 CO 0.47 0.84 0.47 0.00 0.02 0.00 0.00 177.57 179.38 3flu h ALA 206 N 0.12 1.88 -0.14 1.67 0.00 -1.95 -0.46 119.26 120.37 3flu h ALA 206 Ca -0.32 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.62 3flu h ALA 206 Cb 2.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 3flu h ALA 206 CO 0.21 -0.03 0.18 0.00 0.00 0.00 0.00 179.25 179.61 3flu h ALA 207 N 1.64 1.69 -0.89 0.00 0.00 -1.84 -0.77 119.26 119.10 3flu h ALA 207 Ca 0.33 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.40 3flu h ALA 207 Cb 0.50 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 3flu h ALA 207 CO -0.11 -0.25 0.58 -0.91 0.00 0.00 0.00 179.25 178.55 3flu h ASN 208 N 0.00 0.56 0.29 0.00 2.35 -1.29 -2.63 115.58 114.85 3flu h ASN 208 Ca 0.07 0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.76 3flu h ASN 208 Cb 0.43 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3flu h ASN 208 CO -0.00 0.26 -1.81 0.00 -1.65 0.00 0.00 177.43 174.23 3flu n ALA 209 N -2.46 2.35 -3.02 -0.83 0.00 -0.32 -4.70 120.51 111.54 3flu n ALA 209 Ca 0.18 -0.64 -0.16 0.00 0.00 0.00 0.00 53.44 52.82 3flu n ALA 209 Cb 0.56 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 3flu n ALA 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3flu n ALA 210 N -2.37 0.94 -0.29 0.00 0.00 -1.07 -4.98 120.51 112.74 3flu n ALA 210 Ca -0.10 -2.64 -0.05 0.00 0.00 0.00 0.00 53.44 50.65 3flu n ALA 210 Cb 0.73 -1.02 0.07 0.00 0.00 0.00 0.00 19.45 19.23 3flu n ALA 210 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3flu h PRO 211 N 3.55 1.10 -0.09 0.00 0.13 -1.75 -1.05 132.00 133.89 3flu h PRO 211 Ca 0.00 -0.13 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 3flu h PRO 211 Cb 0.97 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 3flu h PRO 211 CO 0.39 0.82 -0.04 -0.22 -0.23 0.00 0.00 178.00 178.72 3flu h LYS 212 N 1.09 0.19 -0.39 0.86 3.64 -1.89 -1.84 116.57 118.22 3flu h LYS 212 Ca 0.27 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3flu h LYS 212 Cb 0.05 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3flu h LYS 212 CO -0.04 0.54 0.21 1.25 -2.27 0.00 0.00 179.45 179.14 3flu h LEU 213 N -0.17 0.49 -0.60 5.20 5.85 -1.85 0.72 115.31 124.95 3flu h LEU 213 Ca 0.02 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3flu h LEU 213 Cb 0.48 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3flu h LEU 213 CO 0.01 0.45 0.24 0.15 -0.34 0.00 0.00 178.44 178.95 3flu h PHE 214 N 0.50 0.91 -0.36 1.25 3.57 -1.21 -0.89 116.94 120.72 3flu h PHE 214 Ca 0.14 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 3flu h PHE 214 Cb 0.07 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3flu h PHE 214 CO -0.02 0.73 -0.21 0.00 -2.23 0.00 0.00 178.31 176.58 3flu h ALA 215 N 1.09 0.97 -0.63 2.41 0.00 -1.13 -1.25 119.26 120.71 3flu h ALA 215 Ca 0.20 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3flu h ALA 215 Cb 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3flu h ALA 215 CO -0.02 0.60 0.17 -0.44 0.00 0.00 0.00 179.25 179.57 3flu h ASP 216 N 0.61 0.94 -0.16 0.00 3.32 -0.64 -1.73 116.42 118.76 3flu h ASP 216 Ca 0.09 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3flu h ASP 216 Cb 0.69 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3flu h ASP 216 CO 0.05 0.92 0.07 -0.03 -1.72 0.00 0.00 179.24 178.53 3flu h MET 217 N 0.91 0.22 -0.68 3.56 4.05 -0.79 -1.25 114.93 120.96 3flu h MET 217 Ca 0.20 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.58 3flu h MET 217 Cb 0.33 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.06 3flu h MET 217 CO -0.00 0.27 0.41 0.00 0.23 0.00 0.00 176.91 177.81 3flu h ARG 219 N 0.92 0.65 -0.31 0.00 2.43 -1.07 0.63 114.38 117.64 3flu h ARG 219 Ca 0.24 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3flu h ARG 219 Cb -0.02 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3flu h ARG 219 CO -0.05 0.43 0.14 0.00 -1.51 0.00 0.00 179.97 178.99 3flu h ALA 220 N 1.22 0.40 -0.53 2.80 0.00 -0.94 -1.60 119.26 120.62 3flu h ALA 220 Ca 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3flu h ALA 220 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3flu h ALA 220 CO -0.07 -0.02 0.28 0.00 0.00 0.00 0.00 179.25 179.44 3flu h ALA 221 N 0.99 0.67 0.00 0.00 0.00 -0.87 -0.51 119.26 119.55 3flu h ALA 221 Ca 0.11 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3flu h ALA 221 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3flu h ALA 221 CO -0.01 0.20 -0.49 -0.07 0.00 0.00 0.00 179.25 178.88 3flu h LEU 222 N 0.70 0.00 -0.29 0.00 3.38 -0.81 -2.56 115.31 115.73 3flu h LEU 222 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3flu h LEU 222 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3flu h LEU 222 CO -0.03 0.49 -0.06 0.00 0.09 0.00 0.00 178.44 178.93 3flu n GLN 223 N -3.79 0.89 -1.28 1.13 6.02 -0.61 -4.94 117.38 114.80 3flu n GLN 223 Ca -0.01 -0.29 -0.06 0.00 -0.01 0.00 0.00 57.00 56.63 3flu n GLN 223 Cb 0.54 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.28 3flu n GLN 223 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3flu n GLY 224 N 1.20 0.76 3.54 1.08 0.00 -0.53 -4.97 105.19 106.28 3flu n GLY 224 Ca 0.17 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 3flu n GLY 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3flu s ASP 225 N -2.91 6.63 0.09 1.61 -1.08 -0.31 -4.87 116.67 115.82 3flu s ASP 225 Ca 0.00 -1.85 -0.19 0.00 -0.52 0.00 0.00 52.55 49.99 3flu s ASP 225 Cb 0.00 -2.53 -0.08 0.00 -1.46 0.00 0.00 42.92 38.86 3flu s ASP 225 CO 0.00 -1.31 1.56 0.40 0.52 0.00 0.00 175.17 176.34 3flu h ILE 226 N 6.25 1.23 -0.41 4.11 2.04 -1.93 -0.75 117.51 128.04 3flu h ILE 226 Ca 0.25 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 3flu h ILE 226 Cb 0.98 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 3flu h ILE 226 CO 1.36 0.25 0.24 0.00 0.00 0.00 0.00 178.15 180.00 3flu h ALA 227 N 0.85 0.53 -0.34 1.87 0.00 -1.97 0.22 119.26 120.41 3flu h ALA 227 Ca 0.08 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3flu h ALA 227 Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3flu h ALA 227 CO 0.01 0.03 0.01 1.25 0.00 0.00 0.00 179.25 180.54 3flu h LEU 228 N 0.54 0.59 -0.82 0.00 5.85 -1.94 -2.19 115.31 117.33 3flu h LEU 228 Ca 0.15 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 3flu h LEU 228 Cb 0.02 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3flu h LEU 228 CO -0.03 0.75 0.51 0.00 -0.34 0.00 0.00 178.44 179.33 3flu h ALA 229 N 0.86 1.05 -0.32 1.25 0.00 -0.74 -1.03 119.26 120.34 3flu h ALA 229 Ca 0.10 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3flu h ALA 229 Cb 0.44 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3flu h ALA 229 CO 0.02 0.50 0.15 0.00 0.00 0.00 0.00 179.25 179.92 3flu h ARG 230 N 1.13 0.31 -0.29 0.00 3.08 -0.49 -0.62 114.38 117.50 3flu h ARG 230 Ca 0.30 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 60.15 3flu h ARG 230 Cb -0.06 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.92 3flu h ARG 230 CO -0.06 0.21 -0.51 1.49 -1.07 0.00 0.00 179.97 180.03 3flu h GLU 231 N 0.32 0.85 -0.47 0.04 4.57 -0.91 -1.13 114.58 117.86 3flu h GLU 231 Ca 0.13 -0.53 -0.13 0.00 -1.18 0.00 0.00 59.36 57.64 3flu h GLU 231 Cb 0.05 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3flu h GLU 231 CO -0.09 1.17 -0.23 -0.07 -1.18 0.00 0.00 179.01 178.60 3flu h LEU 232 N 0.63 1.01 -0.54 1.64 3.38 -1.17 -2.49 115.31 117.78 3flu h LEU 232 Ca 0.02 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.63 3flu h LEU 232 Cb 1.12 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 3flu h LEU 232 CO 0.12 1.19 0.29 -1.13 0.09 0.00 0.00 178.44 179.00 3flu h ASN 233 N 0.83 0.44 -0.90 -0.43 -0.73 -1.03 -1.98 115.58 111.78 3flu h ASN 233 Ca 0.10 0.02 0.04 0.00 1.87 0.00 0.00 56.30 58.33 3flu h ASN 233 Cb 0.81 -0.07 -0.05 0.00 0.27 0.00 0.00 38.32 39.28 3flu h ASN 233 CO 0.07 0.30 0.59 -0.78 -0.37 0.00 0.00 177.43 177.24 3flu h ASP 234 N 0.57 0.96 0.09 1.15 3.58 -1.03 -0.92 116.42 120.82 3flu h ASP 234 Ca 0.23 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 3flu h ASP 234 Cb 0.11 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.93 3flu h ASP 234 CO -0.14 0.66 -0.06 0.03 -2.88 0.00 0.00 179.24 176.85 3flu h ARG 235 N 1.12 0.00 0.00 0.28 3.08 -0.90 -2.69 114.38 115.27 3flu h ARG 235 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 3flu h ARG 235 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3flu h ARG 235 CO -0.11 0.06 -0.64 -0.07 -1.07 0.00 0.00 179.97 178.14 3flu h LEU 236 N 0.00 0.00 -0.82 3.04 3.38 -0.86 -3.39 115.31 116.67 3flu h LEU 236 Ca -0.00 -0.14 0.12 0.00 0.09 0.00 0.00 57.88 57.95 3flu h LEU 236 Cb 0.12 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 3flu h LEU 236 CO 0.01 0.07 0.43 0.40 0.09 0.00 0.00 178.44 179.44 3flu h ILE 237 N 0.00 0.81 -0.67 1.22 2.04 -1.10 0.82 117.51 120.62 3flu h ILE 237 Ca 0.00 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.71 3flu h ILE 237 Cb 0.82 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3flu h ILE 237 CO 0.00 0.12 0.44 -0.65 0.00 0.00 0.00 178.15 178.07 3flu h PRO 238 N 0.67 0.58 -0.05 2.37 0.11 -1.79 -1.04 132.00 132.86 3flu h PRO 238 Ca 0.42 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.49 3flu h PRO 238 Cb 0.51 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 3flu h PRO 238 CO -0.31 0.39 0.00 0.82 -0.21 0.00 0.00 178.00 178.69 3flu h ILE 239 N 0.60 1.23 -0.97 4.15 2.04 -1.11 -2.87 117.51 120.59 3flu h ILE 239 Ca 0.30 -0.71 0.22 0.00 1.00 0.00 0.00 64.86 65.67 3flu h ILE 239 Cb 0.39 1.62 -0.12 0.00 -0.74 0.00 0.00 36.82 37.97 3flu h ILE 239 CO -0.10 0.19 0.54 1.88 0.00 0.00 0.00 178.15 180.66 3flu h TYR 240 N -0.19 0.92 -0.00 1.37 0.05 -0.75 -0.91 116.97 117.46 3flu h TYR 240 Ca 0.01 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3flu h TYR 240 Cb 0.31 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.79 3flu h TYR 240 CO 0.03 0.07 -0.09 -0.25 -1.05 0.00 0.00 178.16 176.86 3flu n ASP 241 N -4.91 0.53 -0.00 3.88 8.00 -0.46 -3.73 116.55 119.87 3flu n ASP 241 Ca 0.25 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 55.05 3flu n ASP 241 Cb 0.68 -0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.72 3flu n ASP 241 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3flu n THR 242 N -0.85 0.00 0.27 -3.53 -2.24 -0.46 -4.62 114.28 102.84 3flu n THR 242 Ca 0.16 -0.34 0.14 0.00 -2.27 0.00 0.00 64.05 61.74 3flu n THR 242 Cb 0.27 0.84 0.75 0.00 -2.10 0.00 0.00 70.33 70.09 3flu n THR 242 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3flu h MET 243 N 0.00 0.00 -0.12 -0.78 2.86 -1.33 -2.43 114.93 113.13 3flu h MET 243 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3flu h MET 243 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3flu h MET 243 CO 0.00 0.10 -0.09 1.19 1.06 0.00 0.00 176.91 179.17 3flu n PHE 244 N -3.51 0.42 0.26 -0.22 3.72 -1.26 -4.38 117.46 112.48 3flu n PHE 244 Ca -0.01 -1.14 0.12 0.00 -0.05 0.00 0.00 57.45 56.37 3flu n PHE 244 Cb 0.24 -0.26 0.69 0.00 -0.94 0.00 0.00 39.48 39.21 3flu n PHE 244 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3flu s GLU 246 N -4.17 1.27 0.23 0.00 2.02 -1.26 -5.06 118.70 111.73 3flu s GLU 246 Ca -0.03 -1.66 -0.31 0.00 0.02 0.00 0.00 54.97 53.00 3flu s GLU 246 Cb 0.13 -0.24 -0.11 0.00 0.10 0.00 0.00 34.13 34.01 3flu s GLU 246 CO 0.59 -0.23 1.63 -2.14 0.02 0.00 0.00 175.26 175.13 3flu s PRO 247 N -3.99 4.15 0.42 0.39 0.02 -1.26 -4.65 135.00 130.08 3flu s PRO 247 Ca 0.32 2.53 -0.25 0.00 0.02 0.00 0.00 61.00 63.62 3flu s PRO 247 Cb 0.07 -3.07 -0.08 0.00 0.02 0.00 0.00 34.50 31.43 3flu s PRO 247 CO 0.09 -0.66 1.22 0.45 -0.33 0.00 0.00 177.00 177.78 3flu s SER 248 N 0.88 6.33 -0.38 2.53 0.15 -1.26 -1.59 113.70 120.36 3flu s SER 248 Ca 0.69 2.46 0.04 0.00 0.70 0.00 0.00 55.95 59.84 3flu s SER 248 Cb -0.47 -2.62 0.59 0.00 -1.71 0.00 0.00 66.02 61.80 3flu s SER 248 CO 0.38 -0.82 1.78 -0.81 1.20 0.00 0.00 173.24 174.97 3flu n PRO 249 N -0.06 2.23 -0.11 5.44 -0.04 -1.26 -4.93 135.00 136.27 3flu n PRO 249 Ca 0.05 -2.60 -0.05 0.00 -0.04 0.00 0.00 63.50 60.86 3flu n PRO 249 Cb 0.46 -2.03 0.01 0.00 -0.04 0.00 0.00 33.50 31.91 3flu n PRO 249 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3flu h ALA 250 N 1.31 0.28 -0.09 0.55 0.00 -1.58 -1.10 119.26 118.63 3flu h ALA 250 Ca 0.51 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.53 3flu h ALA 250 Cb 2.56 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 20.61 3flu h ALA 250 CO 0.92 -0.44 -0.08 0.00 0.00 0.00 0.00 179.25 179.65 3flu h ALA 251 N 1.37 0.13 -0.42 0.00 0.00 -1.79 -1.74 119.26 116.81 3flu h ALA 251 Ca 0.18 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3flu h ALA 251 Cb 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3flu h ALA 251 CO -0.37 -0.05 0.14 -1.00 0.00 0.00 0.00 179.25 177.97 3flu h PRO 252 N -0.20 0.60 -0.45 0.00 0.13 -1.74 0.12 132.00 130.47 3flu h PRO 252 Ca 0.02 -0.09 -0.13 0.00 -0.87 0.00 0.00 66.00 64.92 3flu h PRO 252 Cb 0.59 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 3flu h PRO 252 CO 0.02 0.52 -0.24 0.87 -0.23 0.00 0.00 178.00 178.94 3flu h LYS 253 N 0.60 0.95 -0.51 0.86 1.57 -1.19 -1.76 116.57 117.10 3flu h LYS 253 Ca 0.14 -0.43 -0.11 0.00 -1.87 0.00 0.00 60.65 58.38 3flu h LYS 253 Cb 0.16 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3flu h LYS 253 CO -0.01 1.10 -0.12 2.35 -0.57 0.00 0.00 179.45 182.20 3flu h TRP 254 N 0.79 1.09 -0.24 -1.35 7.01 -0.94 -1.31 115.95 121.01 3flu h TRP 254 Ca 0.10 -0.23 0.05 0.00 2.11 0.00 0.00 58.89 60.92 3flu h TRP 254 Cb 0.82 -0.27 -0.05 0.00 -2.10 0.00 0.00 29.16 27.56 3flu h TRP 254 CO 0.06 1.04 -0.11 0.00 -2.79 0.00 0.00 178.44 176.63 3flu h ALA 255 N 0.90 0.09 -0.14 2.65 0.00 -0.65 0.36 119.26 122.47 3flu h ALA 255 Ca 0.13 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3flu h ALA 255 Cb 0.68 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3flu h ALA 255 CO 0.05 -0.52 -0.22 0.28 0.00 0.00 0.00 179.25 178.84 3flu h VAL 256 N -0.08 1.22 -0.26 0.00 2.07 -1.21 -1.94 116.25 116.05 3flu h VAL 256 Ca 0.13 -1.02 -0.12 0.00 0.82 0.00 0.00 66.70 66.51 3flu h VAL 256 Cb 0.27 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3flu h VAL 256 CO -0.29 0.31 -0.34 0.77 0.02 0.00 0.00 177.57 178.04 3flu h SER 257 N 0.22 0.58 0.16 0.57 4.64 -0.60 -1.06 113.55 118.06 3flu h SER 257 Ca 0.04 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.10 3flu h SER 257 Cb 0.51 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3flu h SER 257 CO 0.03 0.88 -0.13 0.00 -0.87 0.00 0.00 176.83 176.74 3flu h ALA 258 N 1.16 1.68 -0.00 5.18 0.00 -0.33 0.78 119.26 127.73 3flu h ALA 258 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3flu h ALA 258 Cb 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3flu h ALA 258 CO 0.07 0.16 -0.03 1.28 0.00 0.00 0.00 179.25 180.73 3flu n LEU 259 N -4.23 0.12 0.00 0.00 4.77 -0.79 -4.92 117.00 111.96 3flu n LEU 259 Ca -0.03 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3flu n LEU 259 Cb 0.20 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3flu n LEU 259 CO 0.34 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3flu n GLY 260 N 1.23 0.67 0.01 -0.72 0.00 0.27 -4.97 105.19 101.69 3flu n GLY 260 Ca 0.16 -0.51 0.01 0.00 0.00 0.00 0.00 46.02 45.68 3flu n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3flu n ARG 261 N -2.55 5.42 -1.64 1.61 1.74 -0.45 -5.00 116.66 115.79 3flu n ARG 261 Ca 0.00 -0.09 -0.02 0.00 -0.77 0.00 0.00 57.85 56.97 3flu n ARG 261 Cb 0.00 -0.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 3flu n ARG 261 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3flu s GLU 263 N -2.05 2.23 0.00 0.00 0.41 -1.26 -4.04 118.70 113.98 3flu s GLU 263 Ca 0.04 -1.59 0.22 0.00 -0.41 0.00 0.00 54.97 53.22 3flu s GLU 263 Cb -0.01 -2.07 1.28 0.00 -1.78 0.00 0.00 34.13 31.55 3flu s GLU 263 CO 0.03 0.19 1.83 -2.30 -0.49 0.00 0.00 175.26 174.52 3flu n PRO 264 N -1.00 1.03 -1.96 0.39 -0.02 -1.26 -4.72 135.00 127.46 3flu n PRO 264 Ca -0.04 -0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 60.98 3flu n PRO 264 Cb 0.61 -1.34 -0.02 0.00 -0.02 0.00 0.00 33.50 32.72 3flu n PRO 264 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3flu s HIS 265 N -1.99 3.00 0.25 6.00 3.76 -1.26 -4.67 115.29 120.39 3flu s HIS 265 Ca 0.33 0.86 0.05 0.00 -0.15 0.00 0.00 55.06 56.14 3flu s HIS 265 Cb 0.15 -3.89 -0.05 0.00 1.11 0.00 0.00 32.58 29.90 3flu s HIS 265 CO 0.25 -3.03 -0.02 0.14 -0.85 0.00 0.00 174.74 171.23 3flu s VAL 266 N 0.39 1.24 -0.02 -0.90 -7.23 -1.26 -4.58 120.40 108.04 3flu s VAL 266 Ca 0.63 -2.06 -0.08 0.00 -1.81 0.00 0.00 61.98 58.66 3flu s VAL 266 Cb -0.43 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.05 3flu s VAL 266 CO 0.40 -0.29 0.26 -0.13 -0.31 0.00 0.00 175.10 175.03 3flu s ARG 267 N -3.82 3.61 0.39 4.82 0.52 -1.26 -4.85 118.95 118.35 3flu s ARG 267 Ca 0.29 -0.00 -0.27 0.00 -0.52 0.00 0.00 55.73 55.24 3flu s ARG 267 Cb 0.05 -3.13 -0.11 0.00 0.52 0.00 0.00 34.95 32.29 3flu s ARG 267 CO 0.10 0.69 1.33 1.28 0.02 0.00 0.00 175.30 178.72 3flu n LEU 268 N 1.45 4.09 -0.10 2.53 4.77 -1.26 -1.39 117.00 127.09 3flu n LEU 268 Ca -0.14 1.17 0.13 0.00 -0.03 0.00 0.00 56.01 57.14 3flu n LEU 268 Cb 0.53 -1.53 0.72 0.00 -2.33 0.00 0.00 43.42 40.82 3flu n LEU 268 CO 0.38 -0.40 0.97 -0.81 -1.33 0.00 0.00 177.39 176.20 3flu n PRO 269 N 0.27 1.14 -2.78 3.23 -0.04 -1.26 -4.95 135.00 130.61 3flu n PRO 269 Ca 0.05 -0.20 -0.33 0.00 -0.04 0.00 0.00 63.50 62.97 3flu n PRO 269 Cb 0.38 -1.42 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 3flu n PRO 269 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3flu s LEU 270 N -1.83 3.92 0.11 1.53 1.43 -0.49 -5.08 118.68 118.28 3flu s LEU 270 Ca 0.39 1.71 0.09 0.00 -1.03 0.00 0.00 54.13 55.29 3flu s LEU 270 Cb 0.18 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 3flu s LEU 270 CO 0.31 -0.40 -0.23 0.68 0.23 0.00 0.00 176.35 176.94 3flu s VAL 271 N -2.18 1.87 0.91 -1.59 -7.23 -1.26 -4.44 120.40 106.49 3flu s VAL 271 Ca 0.62 -1.61 -0.11 0.00 -1.81 0.00 0.00 61.98 59.08 3flu s VAL 271 Cb -0.10 -1.68 0.14 0.00 0.56 0.00 0.00 36.38 35.30 3flu s VAL 271 CO 0.14 -0.02 1.10 -2.16 -0.31 0.00 0.00 175.10 173.85 3flu s PRO 272 N -1.95 1.10 0.17 4.82 0.04 -1.26 -4.80 135.00 133.13 3flu s PRO 272 Ca 0.09 1.09 -0.33 0.00 0.04 0.00 0.00 61.00 61.89 3flu s PRO 272 Cb -0.10 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.54 3flu s PRO 272 CO 0.05 -2.43 1.68 -0.11 0.04 0.00 0.00 177.00 176.23 3flu n LEU 273 N -4.05 3.62 -4.78 -3.56 7.94 -1.26 -4.98 117.00 109.93 3flu n LEU 273 Ca 0.08 1.06 -0.29 0.00 -1.11 0.00 0.00 56.01 55.75 3flu n LEU 273 Cb 0.54 -1.51 0.13 0.00 0.53 0.00 0.00 43.42 43.11 3flu n LEU 273 CO 0.54 -0.02 0.71 0.42 -1.11 0.00 0.00 177.39 177.93 3flu s THR 274 N 1.28 2.08 0.28 1.96 -4.23 -1.26 -4.74 115.64 111.01 3flu s THR 274 Ca 0.78 0.03 -0.03 0.00 -1.18 0.00 0.00 61.69 61.28 3flu s THR 274 Cb -0.58 -2.77 0.26 0.00 1.34 0.00 0.00 72.50 70.76 3flu s THR 274 CO 0.35 -0.04 1.95 -0.33 -0.54 0.00 0.00 174.62 176.02 3flu h GLU 275 N -1.48 1.17 -0.58 3.99 5.08 -1.99 0.96 114.58 121.72 3flu h GLU 275 Ca -0.50 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 57.78 3flu h GLU 275 Cb 1.33 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 3flu h GLU 275 CO 0.62 0.77 0.32 -0.97 -1.00 0.00 0.00 179.01 178.75 3flu h ASN 276 N 1.20 0.72 -0.37 1.42 -0.73 -2.01 -1.82 115.58 113.99 3flu h ASN 276 Ca 0.34 -0.09 -0.09 0.00 1.87 0.00 0.00 56.30 58.32 3flu h ASN 276 Cb -0.11 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.28 3flu h ASN 276 CO -0.08 0.60 -0.10 1.23 -0.37 0.00 0.00 177.43 178.71 3flu h GLY 277 N 0.78 0.88 1.00 1.57 0.00 -1.65 -2.99 103.07 102.66 3flu h GLY 277 Ca 0.20 -0.66 0.01 0.00 0.00 0.00 0.00 47.33 46.88 3flu h GLY 277 CO -0.03 0.61 0.44 1.46 0.00 0.00 0.00 176.54 179.02 3flu h GLN 278 N 0.74 0.88 -0.53 4.80 4.20 -0.33 -0.56 115.11 124.30 3flu h GLN 278 Ca 0.12 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.81 3flu h GLN 278 Cb 0.59 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 3flu h GLN 278 CO 0.04 0.58 0.30 0.00 -0.67 0.00 0.00 178.83 179.08 3flu h ALA 279 N 1.25 0.68 -0.29 3.87 0.00 -1.23 0.08 119.26 123.61 3flu h ALA 279 Ca 0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3flu h ALA 279 Cb -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3flu h ALA 279 CO -0.05 -0.00 0.15 0.87 0.00 0.00 0.00 179.25 180.21 3flu h LYS 280 N 0.60 0.42 -0.42 0.00 1.57 -1.33 -2.34 116.57 115.07 3flu h LYS 280 Ca 0.22 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 3flu h LYS 280 Cb 0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3flu h LYS 280 CO -0.11 0.39 -0.11 0.28 -0.57 0.00 0.00 179.45 179.32 3flu h VAL 281 N 0.34 1.27 -0.60 0.50 2.07 -0.81 -1.23 116.25 117.80 3flu h VAL 281 Ca 0.10 -1.22 0.04 0.00 0.82 0.00 0.00 66.70 66.45 3flu h VAL 281 Cb 0.10 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3flu h VAL 281 CO -0.01 0.41 0.34 -0.09 0.02 0.00 0.00 177.57 178.23 3flu h ARG 282 N 0.63 0.63 -0.75 1.57 2.43 -1.02 -0.26 114.38 117.60 3flu h ARG 282 Ca 0.10 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3flu h ARG 282 Cb 0.64 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 3flu h ARG 282 CO 0.04 0.42 0.35 0.00 -1.51 0.00 0.00 179.97 179.28 3flu h ALA 283 N 1.29 1.21 -0.41 2.80 0.00 -1.21 -1.76 119.26 121.18 3flu h ALA 283 Ca 0.26 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 3flu h ALA 283 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3flu h ALA 283 CO -0.14 0.60 -0.34 0.00 0.00 0.00 0.00 179.25 179.37 3flu h ALA 284 N 1.32 0.61 -0.73 0.00 0.00 -0.34 -0.61 119.26 119.51 3flu h ALA 284 Ca 0.26 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3flu h ALA 284 Cb 0.12 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3flu h ALA 284 CO -0.03 0.68 0.45 -0.07 0.00 0.00 0.00 179.25 180.28 3flu h LEU 285 N 0.79 0.74 -0.36 0.00 3.38 -0.80 0.09 115.31 119.15 3flu h LEU 285 Ca 0.07 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3flu h LEU 285 Cb 0.94 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3flu h LEU 285 CO 0.09 0.50 -0.16 0.11 0.09 0.00 0.00 178.44 179.07 3flu h LYS 286 N 0.87 0.75 -0.16 1.13 1.57 -1.08 0.86 116.57 120.52 3flu h LYS 286 Ca 0.30 -0.32 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3flu h LYS 286 Cb 0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3flu h LYS 286 CO -0.13 0.93 -0.38 0.00 -0.57 0.00 0.00 179.45 179.30 3flu h ALA 287 N 0.80 1.06 -0.03 3.86 0.00 -0.82 -1.66 119.26 122.47 3flu h ALA 287 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3flu h ALA 287 Cb 0.70 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3flu h ALA 287 CO 0.05 0.59 0.00 -1.13 0.00 0.00 0.00 179.25 178.76 3flu n SER 288 N -4.05 0.76 -0.23 0.00 3.41 -0.00 -4.92 113.62 108.60 3flu n SER 288 Ca -0.01 -1.36 -0.03 0.00 -0.26 0.00 0.00 58.87 57.21 3flu n SER 288 Cb 0.47 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.39 3flu n SER 288 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3flu n GLY 289 N 1.04 0.61 0.08 5.00 0.00 -0.62 -4.92 105.19 106.38 3flu n GLY 289 Ca 0.19 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.38 3flu n GLY 289 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3flu n GLN 290 N -2.91 0.50 0.00 1.61 1.13 0.26 -5.01 117.38 112.95 3flu n GLN 290 Ca -0.03 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 3flu n GLN 290 Cb 0.10 -1.74 0.00 0.00 0.11 0.00 0.00 30.24 28.70 3flu n GLN 290 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51