#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf5 s ILE 2 N 0.00 2.41 -0.16 1.69 1.09 -1.26 -4.44 121.20 120.53 1xf5 s ILE 2 Ca 0.00 0.37 -0.28 0.00 -1.10 0.00 0.00 60.65 59.64 1xf5 s ILE 2 Cb 0.00 -3.24 0.09 0.00 -1.06 0.00 0.00 42.46 38.26 1xf5 s ILE 2 CO 0.00 0.07 0.84 0.00 -0.10 0.00 0.00 174.94 175.75 1xf5 s GLN 3 N -1.05 0.79 -0.18 2.79 -2.07 -0.63 -5.00 119.66 114.31 1xf5 s GLN 3 Ca 0.57 0.44 -0.02 0.00 -1.82 0.00 0.00 55.36 54.52 1xf5 s GLN 3 Cb -0.44 0.38 -0.01 0.00 -1.09 0.00 0.00 33.01 31.85 1xf5 s GLN 3 CO 0.50 -0.20 -0.09 -0.51 -1.32 0.00 0.00 175.29 173.68 1xf5 s LEU 4 N -0.60 2.79 -0.29 2.60 1.43 -1.26 -2.73 118.68 120.61 1xf5 s LEU 4 Ca -0.04 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 1xf5 s LEU 4 Cb -0.02 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.55 1xf5 s LEU 4 CO 0.03 0.06 0.04 -0.69 0.23 0.00 0.00 176.35 176.02 1xf5 s VAL 5 N 0.96 3.49 0.23 -1.59 1.01 -0.63 -4.21 120.40 119.66 1xf5 s VAL 5 Ca -0.01 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1xf5 s VAL 5 Cb -0.15 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1xf5 s VAL 5 CO -0.00 0.02 0.40 -1.10 0.00 0.00 0.00 175.10 174.41 1xf5 s GLN 6 N 1.39 3.48 0.62 2.72 -0.21 -1.26 0.39 119.66 126.80 1xf5 s GLN 6 Ca -0.00 -0.48 -0.16 0.00 0.02 0.00 0.00 55.36 54.74 1xf5 s GLN 6 Cb -0.18 -2.83 -0.02 0.00 1.00 0.00 0.00 33.01 30.98 1xf5 s GLN 6 CO 0.00 0.37 1.11 -1.54 -2.12 0.00 0.00 175.29 173.11 1xf5 s SER 7 N -3.55 5.32 1.38 5.90 1.04 -0.54 -4.97 113.70 118.28 1xf5 s SER 7 Ca 0.37 2.03 -0.22 0.00 0.48 0.00 0.00 55.95 58.61 1xf5 s SER 7 Cb -0.10 -2.56 0.34 0.00 0.10 0.00 0.00 66.02 63.80 1xf5 s SER 7 CO 0.30 -1.49 0.91 0.61 0.98 0.00 0.00 173.24 174.56 1xf5 n GLY 8 N -0.39 -3.51 3.72 7.32 0.00 -1.26 -4.58 105.19 106.49 1xf5 n GLY 8 Ca 0.11 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 1xf5 n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xf5 n PRO 9 N -5.29 2.04 -4.81 1.61 -0.04 -1.26 -4.68 135.00 122.57 1xf5 n PRO 9 Ca 0.14 0.73 -0.26 0.00 -0.04 0.00 0.00 63.50 64.06 1xf5 n PRO 9 Cb 0.57 -2.46 -0.16 0.00 -0.04 0.00 0.00 33.50 31.40 1xf5 n PRO 9 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1xf5 s GLU 10 N -2.27 1.88 -0.25 0.54 2.56 -0.73 -4.75 118.70 115.68 1xf5 s GLU 10 Ca 0.61 -0.59 -0.02 0.00 0.00 0.00 0.00 54.97 54.98 1xf5 s GLU 10 Cb -0.49 -1.58 0.03 0.00 2.00 0.00 0.00 34.13 34.08 1xf5 s GLU 10 CO 0.58 0.19 -0.06 -1.17 -0.56 0.00 0.00 175.26 174.23 1xf5 s LEU 11 N 0.21 3.16 -0.02 2.70 0.20 -1.26 -0.67 118.68 122.99 1xf5 s LEU 11 Ca -0.08 -0.86 0.04 0.00 0.69 0.00 0.00 54.13 53.92 1xf5 s LEU 11 Cb -0.13 -1.66 -0.00 0.00 -0.43 0.00 0.00 46.19 43.97 1xf5 s LEU 11 CO 0.03 -0.12 -0.12 -0.54 -0.29 0.00 0.00 176.35 175.31 1xf5 s LYS 12 N 1.33 1.14 0.46 1.98 -0.14 -0.51 -4.98 119.74 119.02 1xf5 s LYS 12 Ca 0.00 -0.43 -0.23 0.00 -1.36 0.00 0.00 55.97 53.95 1xf5 s LYS 12 Cb -0.17 -1.06 -0.07 0.00 -1.68 0.00 0.00 37.83 34.85 1xf5 s LYS 12 CO -0.05 0.22 1.17 0.15 -0.76 0.00 0.00 175.35 176.08 1xf5 s LYS 13 N -0.08 3.75 0.19 1.68 1.02 -1.19 -1.25 119.74 123.87 1xf5 s LYS 13 Ca 0.01 1.79 -0.33 0.00 0.02 0.00 0.00 55.97 57.46 1xf5 s LYS 13 Cb -0.07 -2.41 -0.14 0.00 -0.52 0.00 0.00 37.83 34.69 1xf5 s LYS 13 CO 0.00 -0.57 1.51 -0.35 -0.92 0.00 0.00 175.35 175.02 1xf5 n PRO 14 N -0.49 2.09 0.00 -1.68 -0.04 -1.26 -1.62 135.00 131.99 1xf5 n PRO 14 Ca 0.07 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 1xf5 n PRO 14 Cb 0.48 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 1xf5 n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xf5 n GLY 15 N 2.89 2.60 0.56 0.55 0.00 0.23 -4.93 105.19 107.09 1xf5 n GLY 15 Ca 0.15 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 1xf5 n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xf5 n GLU 16 N 0.00 -2.23 -4.12 1.61 1.02 -0.64 -3.44 120.64 112.84 1xf5 n GLU 16 Ca 0.00 -0.26 -0.16 0.00 -0.02 0.00 0.00 57.16 56.72 1xf5 n GLU 16 Cb 0.00 -0.32 -0.12 0.00 -0.02 0.00 0.00 31.44 30.99 1xf5 n GLU 16 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1xf5 s THR 17 N -1.22 0.79 0.01 2.62 -1.32 -1.26 -0.36 115.64 114.90 1xf5 s THR 17 Ca 0.12 -1.14 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 1xf5 s THR 17 Cb -0.02 -0.80 -0.01 0.00 -1.51 0.00 0.00 72.50 70.15 1xf5 s THR 17 CO 0.10 -0.29 -0.03 0.54 -2.21 0.00 0.00 174.62 172.73 1xf5 s VAL 18 N -1.27 0.15 -0.19 5.08 0.11 -0.76 -5.01 120.40 118.50 1xf5 s VAL 18 Ca -0.06 -0.55 0.01 0.00 -2.93 0.00 0.00 61.98 58.45 1xf5 s VAL 18 Cb -0.10 -0.22 0.04 0.00 -1.53 0.00 0.00 36.38 34.58 1xf5 s VAL 18 CO 0.01 -0.26 -0.10 -0.75 -3.33 0.00 0.00 175.10 170.67 1xf5 s LYS 19 N -0.84 2.03 -0.11 1.54 2.20 -1.26 -1.24 119.74 122.06 1xf5 s LYS 19 Ca -0.08 -0.81 -0.08 0.00 -0.36 0.00 0.00 55.97 54.64 1xf5 s LYS 19 Cb -0.06 -2.38 -0.04 0.00 -1.51 0.00 0.00 37.83 33.84 1xf5 s LYS 19 CO -0.00 -0.41 0.16 0.42 -0.36 0.00 0.00 175.35 175.16 1xf5 s ILE 20 N 1.41 5.47 0.19 5.43 -1.09 0.84 -4.96 121.20 128.48 1xf5 s ILE 20 Ca -0.01 0.26 0.10 0.00 -2.23 0.00 0.00 60.65 58.76 1xf5 s ILE 20 Cb -0.16 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 1xf5 s ILE 20 CO -0.08 0.61 -0.12 -0.94 -1.23 0.00 0.00 174.94 173.17 1xf5 s SER 21 N -1.06 4.08 -0.29 3.58 1.04 -1.26 -1.10 113.70 118.70 1xf5 s SER 21 Ca 0.16 -0.65 -0.04 0.00 0.48 0.00 0.00 55.95 55.90 1xf5 s SER 21 Cb -0.12 -0.62 0.10 0.00 0.10 0.00 0.00 66.02 65.47 1xf5 s SER 21 CO 0.05 0.10 0.12 0.00 0.98 0.00 0.00 173.24 174.50 1xf5 s LYS 23 N 2.06 3.19 1.01 0.00 2.20 0.16 -0.34 119.74 128.02 1xf5 s LYS 23 Ca 0.09 -0.66 -0.14 0.00 -0.36 0.00 0.00 55.97 54.90 1xf5 s LYS 23 Cb -0.16 -4.05 0.19 0.00 -1.51 0.00 0.00 37.83 32.30 1xf5 s LYS 23 CO -0.35 -1.20 1.13 0.00 -0.36 0.00 0.00 175.35 174.58 1xf5 s ALA 24 N 2.86 1.29 0.00 3.13 0.00 -0.77 -1.60 121.76 126.68 1xf5 s ALA 24 Ca 0.19 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1xf5 s ALA 24 Cb -0.17 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1xf5 s ALA 24 CO 0.15 -2.76 0.00 -1.13 0.00 0.00 0.00 175.76 172.02 1xf5 n SER 25 N -4.11 0.00 0.00 0.00 3.41 -1.11 -4.90 113.62 106.91 1xf5 n SER 25 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1xf5 n SER 25 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1xf5 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xf5 n GLY 26 N -0.15 1.06 3.84 5.00 0.00 -1.26 -1.60 105.19 112.08 1xf5 n GLY 26 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1xf5 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xf5 s TYR 27 N -2.00 0.01 -0.84 1.61 1.13 -1.26 -4.39 117.35 111.61 1xf5 s TYR 27 Ca 0.00 -0.34 -0.25 0.00 -1.41 0.00 0.00 57.07 55.06 1xf5 s TYR 27 Cb 0.00 0.66 0.03 0.00 -1.10 0.00 0.00 41.96 41.55 1xf5 s TYR 27 CO 0.00 -0.79 1.42 0.95 -2.51 0.00 0.00 175.55 174.62 1xf5 s THR 28 N -2.43 3.75 0.53 -3.49 -4.23 -1.26 -4.86 115.64 103.64 1xf5 s THR 28 Ca 0.20 -0.07 0.23 0.00 -1.18 0.00 0.00 61.69 60.87 1xf5 s THR 28 Cb -0.01 -4.84 0.34 0.00 1.34 0.00 0.00 72.50 69.33 1xf5 s THR 28 CO 0.03 -1.77 1.13 0.33 -0.54 0.00 0.00 174.62 173.81 1xf5 n PHE 29 N 9.72 0.00 1.03 3.99 7.35 -1.26 0.77 117.46 139.05 1xf5 n PHE 29 Ca 0.17 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.97 1xf5 n PHE 29 Cb 0.50 -0.23 0.02 0.00 0.35 0.00 0.00 39.48 40.12 1xf5 n PHE 29 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1xf5 n THR 30 N -3.00 0.00 0.35 -2.13 -2.24 -1.26 -4.27 114.28 101.74 1xf5 n THR 30 Ca 0.21 -0.17 0.13 0.00 -2.27 0.00 0.00 64.05 61.95 1xf5 n THR 30 Cb 1.35 1.04 0.32 0.00 -2.10 0.00 0.00 70.33 70.94 1xf5 n THR 30 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1xf5 h ASP 31 N 1.56 0.00 -3.92 3.42 5.19 0.03 -3.40 116.42 119.31 1xf5 h ASP 31 Ca 0.00 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.04 1xf5 h ASP 31 Cb 0.65 0.00 -0.29 0.00 0.18 0.00 0.00 39.33 39.87 1xf5 h ASP 31 CO 0.00 0.00 -0.77 -0.36 -3.12 0.00 0.00 179.24 174.99 1xf5 s PHE 32 N -3.24 0.67 0.47 4.55 0.08 -1.26 -5.07 117.98 114.19 1xf5 s PHE 32 Ca 0.07 -0.13 -0.23 0.00 0.12 0.00 0.00 56.93 56.76 1xf5 s PHE 32 Cb 0.08 -0.45 -0.07 0.00 -0.57 0.00 0.00 43.02 42.00 1xf5 s PHE 32 CO 0.62 -0.03 1.20 -1.54 -0.10 0.00 0.00 175.22 175.37 1xf5 s SER 33 N -0.04 6.02 -0.17 1.36 1.04 -1.26 -4.58 113.70 116.07 1xf5 s SER 33 Ca 0.01 2.40 -0.04 0.00 0.48 0.00 0.00 55.95 58.80 1xf5 s SER 33 Cb -0.04 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.44 1xf5 s SER 33 CO -0.00 -1.03 -0.04 -0.32 0.98 0.00 0.00 173.24 172.83 1xf5 s MET 34 N -2.72 3.59 0.24 4.02 1.75 -1.04 -2.03 119.30 123.11 1xf5 s MET 34 Ca 0.65 -0.55 0.09 0.00 -1.25 0.00 0.00 55.69 54.62 1xf5 s MET 34 Cb -0.31 -2.92 -0.04 0.00 2.84 0.00 0.00 34.83 34.40 1xf5 s MET 34 CO 0.37 0.14 -0.01 -1.01 -0.65 0.00 0.00 175.02 173.87 1xf5 s HIS 35 N 0.62 2.72 0.02 4.11 3.76 -0.86 -0.67 115.29 124.99 1xf5 s HIS 35 Ca -0.03 -0.20 0.08 0.00 -0.15 0.00 0.00 55.06 54.76 1xf5 s HIS 35 Cb -0.14 -1.24 -0.02 0.00 1.11 0.00 0.00 32.58 32.28 1xf5 s HIS 35 CO 0.02 0.59 -0.24 -1.58 -0.85 0.00 0.00 174.74 172.68 1xf5 s TRP 36 N -2.13 2.12 -0.03 1.40 0.52 -0.62 -1.45 118.94 118.74 1xf5 s TRP 36 Ca 0.30 -0.40 -0.02 0.00 0.02 0.00 0.00 56.10 56.00 1xf5 s TRP 36 Cb -0.07 -1.30 0.02 0.00 -1.15 0.00 0.00 33.47 30.96 1xf5 s TRP 36 CO 0.19 0.06 0.06 0.08 0.02 0.00 0.00 176.95 177.37 1xf5 s VAL 37 N -0.72 -0.02 0.43 4.03 1.01 0.05 -0.95 120.40 124.23 1xf5 s VAL 37 Ca 0.10 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.22 1xf5 s VAL 37 Cb -0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 1xf5 s VAL 37 CO 0.01 0.03 0.18 0.54 0.00 0.00 0.00 175.10 175.86 1xf5 s ASN 38 N 0.46 4.40 -0.30 3.32 4.22 -0.35 0.70 114.94 127.39 1xf5 s ASN 38 Ca -0.04 -1.15 -0.02 0.00 -2.14 0.00 0.00 52.86 49.52 1xf5 s ASN 38 Cb -0.05 -0.32 0.19 0.00 1.28 0.00 0.00 41.25 42.35 1xf5 s ASN 38 CO -0.02 -0.62 0.64 -1.58 -2.04 0.00 0.00 177.10 173.49 1xf5 s GLN 39 N -3.93 0.53 0.69 3.55 0.74 0.01 -1.67 119.66 119.58 1xf5 s GLN 39 Ca 0.38 0.92 -0.14 0.00 0.05 0.00 0.00 55.36 56.56 1xf5 s GLN 39 Cb 0.03 0.50 0.01 0.00 1.10 0.00 0.00 33.01 34.66 1xf5 s GLN 39 CO 0.21 -0.61 1.12 0.00 -0.55 0.00 0.00 175.29 175.46 1xf5 s ALA 40 N 2.87 2.38 -0.03 1.58 0.00 -1.26 -1.18 121.76 126.12 1xf5 s ALA 40 Ca 0.18 0.56 -0.37 0.00 0.00 0.00 0.00 51.96 52.33 1xf5 s ALA 40 Cb -0.14 -3.34 -0.16 0.00 0.00 0.00 0.00 23.12 19.48 1xf5 s ALA 40 CO -0.20 -1.44 1.50 -2.30 0.00 0.00 0.00 175.76 173.32 1xf5 n PRO 41 N -2.61 1.25 -1.34 0.00 -0.02 -1.26 -0.30 135.00 130.72 1xf5 n PRO 41 Ca 0.11 0.46 -0.12 0.00 -2.02 0.00 0.00 63.50 61.92 1xf5 n PRO 41 Cb 0.52 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 1xf5 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xf5 n GLY 42 N 3.17 1.16 1.77 -1.23 0.00 -1.26 -4.97 105.19 103.82 1xf5 n GLY 42 Ca 0.21 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1xf5 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xf5 n LYS 43 N -1.23 1.10 -0.68 1.61 4.76 0.59 -5.14 118.16 119.17 1xf5 n LYS 43 Ca -0.12 -1.59 -0.04 0.00 -2.87 0.00 0.00 58.31 53.69 1xf5 n LYS 43 Cb 0.57 0.16 0.02 0.00 -1.84 0.00 0.00 35.03 33.94 1xf5 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xf5 n GLY 44 N 1.92 0.03 3.76 0.72 0.00 -1.26 -4.75 105.19 105.61 1xf5 n GLY 44 Ca -0.01 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 1xf5 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xf5 s LEU 45 N 0.00 4.32 -0.17 0.99 1.43 -1.26 -4.35 118.68 119.64 1xf5 s LEU 45 Ca 0.11 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 1xf5 s LEU 45 Cb -0.00 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.66 1xf5 s LEU 45 CO 0.07 0.12 -0.18 0.20 0.23 0.00 0.00 176.35 176.79 1xf5 s ASN 46 N 0.10 3.33 -0.20 2.29 0.01 -0.67 -4.99 114.94 114.82 1xf5 s ASN 46 Ca 0.23 -0.58 -0.29 0.00 -0.71 0.00 0.00 52.86 51.51 1xf5 s ASN 46 Cb -0.15 -1.51 0.00 0.00 0.41 0.00 0.00 41.25 40.01 1xf5 s ASN 46 CO 0.09 0.04 1.07 0.86 -1.51 0.00 0.00 177.10 177.65 1xf5 s TRP 47 N 1.07 3.30 -0.14 2.20 -0.00 -1.26 -1.21 118.94 122.91 1xf5 s TRP 47 Ca -0.01 1.43 -0.15 0.00 -0.00 0.00 0.00 56.10 57.37 1xf5 s TRP 47 Cb -0.14 -3.29 -0.25 0.00 -0.00 0.00 0.00 33.47 29.79 1xf5 s TRP 47 CO -0.06 -0.61 0.42 0.52 -0.00 0.00 0.00 176.95 177.22 1xf5 h MET 48 N 7.48 0.18 0.00 5.86 2.86 -1.41 -3.44 114.93 126.47 1xf5 h MET 48 Ca -0.22 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1xf5 h MET 48 Cb 1.08 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1xf5 h MET 48 CO 0.96 1.15 0.00 0.41 1.06 0.00 0.00 176.91 180.48 1xf5 n GLY 49 N 1.73 -0.53 3.59 8.32 0.00 -1.18 0.09 105.19 117.20 1xf5 n GLY 49 Ca -0.28 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 1xf5 n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1xf5 s TRP 50 N -3.70 -0.31 0.01 1.61 1.48 -0.50 -1.60 118.94 115.94 1xf5 s TRP 50 Ca 0.00 0.09 0.05 0.00 -1.06 0.00 0.00 56.10 55.17 1xf5 s TRP 50 Cb 0.00 0.59 -0.02 0.00 -1.16 0.00 0.00 33.47 32.88 1xf5 s TRP 50 CO 0.00 -0.75 -0.15 0.54 -4.06 0.00 0.00 176.95 172.53 1xf5 s VAL 51 N -3.38 1.19 -0.15 -0.66 0.11 0.16 -1.95 120.40 115.72 1xf5 s VAL 51 Ca 0.07 -0.79 -0.29 0.00 -2.93 0.00 0.00 61.98 58.03 1xf5 s VAL 51 Cb -0.02 -1.02 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1xf5 s VAL 51 CO -0.05 0.22 1.06 0.21 -3.33 0.00 0.00 175.10 173.20 1xf5 s ASN 52 N -0.66 7.15 -0.02 3.54 3.84 -0.44 -2.51 114.94 125.84 1xf5 s ASN 52 Ca 0.05 1.52 0.09 0.00 0.21 0.00 0.00 52.86 54.72 1xf5 s ASN 52 Cb -0.07 -2.55 0.29 0.00 -0.55 0.00 0.00 41.25 38.38 1xf5 s ASN 52 CO 0.00 -0.56 1.18 0.35 -2.79 0.00 0.00 177.10 175.28 1xf5 n THR 53 N 4.88 0.60 -0.01 -5.21 -2.24 -1.26 -0.07 114.28 110.96 1xf5 n THR 53 Ca 0.10 -0.46 -0.01 0.00 -2.27 0.00 0.00 64.05 61.42 1xf5 n THR 53 Cb 0.47 0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 1xf5 n THR 53 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1xf5 n GLU 54 N 0.37 2.88 0.00 -0.78 2.13 -1.26 -4.50 120.64 119.48 1xf5 n GLU 54 Ca 0.11 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.94 1xf5 n GLU 54 Cb 0.36 -1.05 -0.00 0.00 0.27 0.00 0.00 31.44 31.02 1xf5 n GLU 54 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1xf5 n THR 55 N -2.18 0.00 -0.67 6.31 -2.24 -1.25 -4.99 114.28 109.26 1xf5 n THR 55 Ca -0.03 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1xf5 n THR 55 Cb 0.55 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 1xf5 n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xf5 n GLY 56 N 0.60 0.23 3.69 3.38 0.00 0.90 -4.93 105.19 109.04 1xf5 n GLY 56 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1xf5 n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xf5 s GLU 57 N -0.86 4.22 0.53 1.61 2.12 -1.24 -4.56 118.70 120.51 1xf5 s GLU 57 Ca 0.00 2.23 -0.03 0.00 0.36 0.00 0.00 54.97 57.53 1xf5 s GLU 57 Cb 0.00 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.78 1xf5 s GLU 57 CO 0.00 -0.70 0.80 -1.25 -0.54 0.00 0.00 175.26 173.57 1xf5 s PRO 58 N 2.66 2.97 -0.30 4.30 0.04 -1.26 -1.32 135.00 142.09 1xf5 s PRO 58 Ca 0.71 -0.23 -0.12 0.00 0.04 0.00 0.00 61.00 61.40 1xf5 s PRO 58 Cb -0.37 -2.40 0.15 0.00 0.04 0.00 0.00 34.50 31.92 1xf5 s PRO 58 CO 0.31 -0.52 0.80 -0.08 0.04 0.00 0.00 177.00 177.55 1xf5 s THR 59 N -2.80 -0.77 0.37 1.26 -1.32 -0.82 -4.97 115.64 106.59 1xf5 s THR 59 Ca 0.52 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 61.07 1xf5 s THR 59 Cb -0.10 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.85 1xf5 s THR 59 CO 0.42 0.00 0.26 -0.31 -2.21 0.00 0.00 174.62 172.78 1xf5 s TYR 60 N 2.71 2.74 0.53 9.09 2.02 -1.26 -1.41 117.35 131.77 1xf5 s TYR 60 Ca -0.03 -0.43 -0.05 0.00 -0.37 0.00 0.00 57.07 56.20 1xf5 s TYR 60 Cb -0.10 -1.89 -0.01 0.00 -0.40 0.00 0.00 41.96 39.56 1xf5 s TYR 60 CO -0.18 0.13 0.82 0.00 -1.57 0.00 0.00 175.55 174.75 1xf5 s ALA 61 N -2.44 3.41 0.28 3.71 0.00 0.11 -4.87 121.76 121.96 1xf5 s ALA 61 Ca 0.42 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1xf5 s ALA 61 Cb -0.03 -2.53 0.58 0.00 0.00 0.00 0.00 23.12 21.14 1xf5 s ALA 61 CO 0.25 -0.57 1.80 -0.44 0.00 0.00 0.00 175.76 176.80 1xf5 h ASP 62 N 0.06 0.76 0.00 0.00 3.45 -1.94 -1.05 116.42 117.69 1xf5 h ASP 62 Ca -0.46 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.07 1xf5 h ASP 62 Cb 1.24 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 1xf5 h ASP 62 CO 0.61 0.35 0.00 0.47 -1.57 0.00 0.00 179.24 179.10 1xf5 n ASP 63 N -4.74 0.00 0.00 6.45 10.43 -1.26 -4.59 116.55 122.84 1xf5 n ASP 63 Ca 0.19 -0.17 0.00 0.00 2.57 0.00 0.00 54.79 57.38 1xf5 n ASP 63 Cb 0.42 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.38 1xf5 n ASP 63 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1xf5 n PHE 64 N -0.91 0.00 0.00 1.24 3.01 -0.40 -4.95 117.46 115.45 1xf5 n PHE 64 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1xf5 n PHE 64 Cb 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1xf5 n PHE 64 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1xf5 n LYS 65 N 0.00 0.00 0.00 -1.08 5.02 -1.24 -4.61 118.16 116.25 1xf5 n LYS 65 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xf5 n LYS 65 Cb 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.79 1xf5 n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xf5 n GLY 66 N 0.00 -1.01 0.51 0.72 0.00 -1.26 -4.41 105.19 99.73 1xf5 n GLY 66 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1xf5 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xf5 n ARG 67 N -1.23 1.68 -4.58 1.61 1.74 -1.26 -4.90 116.66 109.71 1xf5 n ARG 67 Ca 0.00 -1.01 -0.34 0.00 -0.77 0.00 0.00 57.85 55.73 1xf5 n ARG 67 Cb 0.00 -1.42 -0.11 0.00 -1.02 0.00 0.00 32.46 29.91 1xf5 n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1xf5 s PHE 68 N -1.86 2.97 -0.13 -1.55 0.08 -1.26 -0.31 117.98 115.92 1xf5 s PHE 68 Ca 0.34 0.01 -0.03 0.00 0.12 0.00 0.00 56.93 57.37 1xf5 s PHE 68 Cb 0.18 -1.74 0.05 0.00 -0.57 0.00 0.00 43.02 40.94 1xf5 s PHE 68 CO 0.29 0.31 0.04 0.00 -0.10 0.00 0.00 175.22 175.76 1xf5 s ALA 69 N -0.70 0.65 0.19 5.36 0.00 -0.09 -4.67 121.76 122.49 1xf5 s ALA 69 Ca 0.11 -0.29 -0.16 0.00 0.00 0.00 0.00 51.96 51.62 1xf5 s ALA 69 Cb -0.11 -0.92 -0.08 0.00 0.00 0.00 0.00 23.12 22.01 1xf5 s ALA 69 CO 0.02 -0.85 0.63 -0.06 0.00 0.00 0.00 175.76 175.49 1xf5 s PHE 70 N 2.01 3.61 0.09 0.00 2.99 -1.26 -1.07 117.98 124.35 1xf5 s PHE 70 Ca 0.03 1.19 -0.22 0.00 0.00 0.00 0.00 56.93 57.92 1xf5 s PHE 70 Cb -0.15 -2.47 0.06 0.00 0.00 0.00 0.00 43.02 40.46 1xf5 s PHE 70 CO -0.07 0.37 0.54 -1.54 -0.00 0.00 0.00 175.22 174.53 1xf5 s SER 71 N -1.73 -0.47 0.50 1.36 1.04 -0.47 -4.85 113.70 109.08 1xf5 s SER 71 Ca 0.41 0.09 0.06 0.00 0.48 0.00 0.00 55.95 56.98 1xf5 s SER 71 Cb -0.15 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.51 1xf5 s SER 71 CO 0.20 -0.81 0.36 -0.76 0.98 0.00 0.00 173.24 173.21 1xf5 s LEU 72 N -2.29 2.86 0.16 2.42 1.43 -1.26 -0.02 118.68 121.98 1xf5 s LEU 72 Ca -0.02 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 1xf5 s LEU 72 Cb -0.00 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.86 1xf5 s LEU 72 CO -0.06 -0.95 0.00 1.21 0.23 0.00 0.00 176.35 176.78 1xf5 n GLU 73 N -1.65 0.00 0.00 1.70 4.07 -1.11 -4.91 120.64 118.74 1xf5 n GLU 73 Ca -0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1xf5 n GLU 73 Cb 0.64 -0.14 0.00 0.00 -0.06 0.00 0.00 31.44 31.88 1xf5 n GLU 73 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1xf5 n THR 74 N -3.19 0.00 -0.34 6.31 -1.04 -1.26 -4.49 114.28 110.27 1xf5 n THR 74 Ca 0.00 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.20 1xf5 n THR 74 Cb 0.05 0.00 0.42 0.00 -1.82 0.00 0.00 70.33 68.98 1xf5 n THR 74 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1xf5 h SER 75 N 0.00 0.62 -0.00 8.00 4.64 -1.96 1.14 113.55 125.98 1xf5 h SER 75 Ca 0.00 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1xf5 h SER 75 Cb 0.00 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1xf5 h SER 75 CO 0.00 0.09 -0.12 0.00 -0.87 0.00 0.00 176.83 175.93 1xf5 n ALA 76 N -2.35 2.76 -3.65 5.18 0.00 -1.26 -4.97 120.51 116.22 1xf5 n ALA 76 Ca 0.27 -0.61 -0.28 0.00 0.00 0.00 0.00 53.44 52.82 1xf5 n ALA 76 Cb 0.79 -0.90 0.03 0.00 0.00 0.00 0.00 19.45 19.37 1xf5 n ALA 76 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xf5 n SER 77 N 0.68 -5.50 -3.79 0.00 7.64 0.39 -4.75 113.62 108.29 1xf5 n SER 77 Ca 0.14 -0.92 -0.19 0.00 1.01 0.00 0.00 58.87 58.91 1xf5 n SER 77 Cb 0.51 -3.28 -0.17 0.00 -1.01 0.00 0.00 64.21 60.26 1xf5 n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xf5 s THR 78 N -3.35 0.19 -0.03 0.44 2.01 -1.26 -1.84 115.64 111.79 1xf5 s THR 78 Ca 0.36 0.13 -0.12 0.00 0.31 0.00 0.00 61.69 62.38 1xf5 s THR 78 Cb -0.13 -0.32 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 1xf5 s THR 78 CO 0.86 0.18 0.32 0.00 -0.69 0.00 0.00 174.62 175.28 1xf5 s ALA 79 N 1.37 3.77 0.13 7.40 0.00 0.54 -2.76 121.76 132.20 1xf5 s ALA 79 Ca -0.05 -0.38 0.10 0.00 0.00 0.00 0.00 51.96 51.63 1xf5 s ALA 79 Cb -0.13 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1xf5 s ALA 79 CO -0.02 0.54 -0.25 0.71 0.00 0.00 0.00 175.76 176.74 1xf5 s TYR 80 N -1.09 2.14 -0.03 0.00 2.02 0.97 -0.26 117.35 121.10 1xf5 s TYR 80 Ca 0.22 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.51 1xf5 s TYR 80 Cb -0.15 -1.15 0.03 0.00 -0.40 0.00 0.00 41.96 40.29 1xf5 s TYR 80 CO 0.11 0.31 0.05 -1.17 -1.57 0.00 0.00 175.55 173.28 1xf5 s LEU 81 N -2.09 0.52 0.03 -1.29 1.98 -0.25 -1.37 118.68 116.19 1xf5 s LEU 81 Ca 0.12 0.06 0.09 0.00 -2.89 0.00 0.00 54.13 51.51 1xf5 s LEU 81 Cb -0.10 -0.11 -0.03 0.00 0.66 0.00 0.00 46.19 46.62 1xf5 s LEU 81 CO 0.06 -0.20 -0.25 -1.58 -1.89 0.00 0.00 176.35 172.49 1xf5 s GLN 82 N 1.73 1.78 -0.10 1.98 0.74 -0.23 -0.11 119.66 125.45 1xf5 s GLN 82 Ca -0.01 -1.02 0.01 0.00 0.05 0.00 0.00 55.36 54.39 1xf5 s GLN 82 Cb -0.12 -1.89 0.02 0.00 1.10 0.00 0.00 33.01 32.12 1xf5 s GLN 82 CO -0.03 0.50 -0.13 0.42 -0.55 0.00 0.00 175.29 175.50 1xf5 s ILE 83 N -0.75 1.33 0.11 -2.34 -1.09 -0.38 -0.91 121.20 117.18 1xf5 s ILE 83 Ca 0.10 -0.54 0.04 0.00 -2.23 0.00 0.00 60.65 58.03 1xf5 s ILE 83 Cb -0.10 -1.24 -0.04 0.00 -1.58 0.00 0.00 42.46 39.51 1xf5 s ILE 83 CO 0.01 0.41 0.09 0.20 -1.23 0.00 0.00 174.94 174.42 1xf5 s ASN 84 N 1.08 5.47 -1.31 3.58 0.01 0.58 -1.84 114.94 122.52 1xf5 s ASN 84 Ca -0.06 -0.07 -0.07 0.00 -0.71 0.00 0.00 52.86 51.96 1xf5 s ASN 84 Cb -0.15 -1.44 -0.00 0.00 0.41 0.00 0.00 41.25 40.07 1xf5 s ASN 84 CO -0.02 0.14 0.58 -0.24 -1.51 0.00 0.00 177.10 176.04 1xf5 n SER 85 N 0.18 -1.95 -4.54 -1.22 2.88 -0.99 -4.78 113.62 103.20 1xf5 n SER 85 Ca -0.09 -0.98 -0.48 0.00 -1.33 0.00 0.00 58.87 55.99 1xf5 n SER 85 Cb 0.53 -3.30 -0.03 0.00 -0.75 0.00 0.00 64.21 60.65 1xf5 n SER 85 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1xf5 n LEU 86 N -4.32 0.89 -4.48 2.46 4.77 0.51 -4.50 117.00 112.33 1xf5 n LEU 86 Ca -0.24 1.15 -0.24 0.00 -0.03 0.00 0.00 56.01 56.65 1xf5 n LEU 86 Cb 0.66 -1.16 -0.10 0.00 -2.33 0.00 0.00 43.42 40.48 1xf5 n LEU 86 CO 0.72 -1.75 -0.42 -0.54 -1.33 0.00 0.00 177.39 174.06 1xf5 s LYS 87 N -0.89 1.68 0.37 3.23 1.02 -1.26 0.74 119.74 124.63 1xf5 s LYS 87 Ca 0.67 -1.82 0.07 0.00 0.02 0.00 0.00 55.97 54.92 1xf5 s LYS 87 Cb -0.85 -1.59 0.78 0.00 -0.52 0.00 0.00 37.83 35.66 1xf5 s LYS 87 CO 0.56 0.20 1.94 -0.91 -0.92 0.00 0.00 175.35 176.21 1xf5 h ASN 88 N 2.20 0.64 0.31 2.83 4.21 -1.94 0.40 115.58 124.23 1xf5 h ASN 88 Ca -0.41 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.12 1xf5 h ASN 88 Cb 1.25 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.33 1xf5 h ASN 88 CO 0.65 0.39 0.00 1.05 -1.29 0.00 0.00 177.43 178.23 1xf5 h GLU 89 N 0.71 0.00 0.00 0.81 4.11 -1.96 -2.39 114.58 115.87 1xf5 h GLU 89 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.77 1xf5 h GLU 89 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1xf5 h GLU 89 CO -0.13 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.70 1xf5 n ASP 90 N -2.68 0.00 -4.72 3.06 8.00 0.13 -4.79 116.55 115.55 1xf5 n ASP 90 Ca -0.01 -0.15 -0.42 0.00 0.71 0.00 0.00 54.79 54.92 1xf5 n ASP 90 Cb 0.13 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 1xf5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1xf5 s THR 91 N -2.55 2.81 0.00 -3.53 2.01 -0.90 -4.87 115.64 108.61 1xf5 s THR 91 Ca 0.27 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.85 1xf5 s THR 91 Cb 0.19 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.33 1xf5 s THR 91 CO 0.43 0.04 0.00 0.00 -0.69 0.00 0.00 174.62 174.40 1xf5 n ALA 92 N 3.99 0.00 -2.68 7.40 0.00 -1.04 -4.58 120.51 123.61 1xf5 n ALA 92 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 1xf5 n ALA 92 Cb 0.40 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 1xf5 n ALA 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xf5 s THR 93 N -2.00 5.36 -0.20 0.00 2.01 -0.32 -1.79 115.64 118.70 1xf5 s THR 93 Ca 0.00 0.18 -0.08 0.00 0.31 0.00 0.00 61.69 62.10 1xf5 s THR 93 Cb 0.00 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1xf5 s THR 93 CO 0.00 0.36 0.08 -0.31 -0.69 0.00 0.00 174.62 174.07 1xf5 s TYR 94 N 0.92 3.24 0.06 4.92 2.02 0.78 -0.81 117.35 128.48 1xf5 s TYR 94 Ca 0.08 0.04 0.06 0.00 -0.37 0.00 0.00 57.07 56.87 1xf5 s TYR 94 Cb -0.13 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 1xf5 s TYR 94 CO 0.03 0.06 -0.10 -0.06 -1.57 0.00 0.00 175.55 173.92 1xf5 s PHE 95 N 0.68 2.78 -0.00 2.71 0.40 0.22 0.27 117.98 125.04 1xf5 s PHE 95 Ca 0.04 -0.12 0.07 0.00 -0.60 0.00 0.00 56.93 56.32 1xf5 s PHE 95 Cb -0.13 -1.51 -0.02 0.00 0.51 0.00 0.00 43.02 41.87 1xf5 s PHE 95 CO 0.02 0.38 -0.23 0.00 0.70 0.00 0.00 175.22 176.09 1xf5 s ALA 97 N -0.72 -0.78 0.23 0.00 0.00 -0.53 -1.40 121.76 118.56 1xf5 s ALA 97 Ca 0.11 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 1xf5 s ALA 97 Cb -0.10 -0.46 -0.09 0.00 0.00 0.00 0.00 23.12 22.47 1xf5 s ALA 97 CO 0.01 -0.16 1.16 0.50 0.00 0.00 0.00 175.76 177.27 1xf5 s ARG 98 N 0.01 4.54 -0.27 0.00 3.52 -0.29 -2.03 118.95 124.43 1xf5 s ARG 98 Ca -0.01 1.86 -0.05 0.00 -0.13 0.00 0.00 55.73 57.39 1xf5 s ARG 98 Cb -0.03 -3.21 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 1xf5 s ARG 98 CO 0.01 0.02 0.03 0.12 -0.81 0.00 0.00 175.30 174.67 1xf5 s PHE 99 N -0.53 3.09 0.76 5.12 2.19 -0.86 -3.23 117.98 124.52 1xf5 s PHE 99 Ca 0.49 -1.00 -0.12 0.00 0.33 0.00 0.00 56.93 56.64 1xf5 s PHE 99 Cb -0.33 -2.19 0.05 0.00 -1.31 0.00 0.00 43.02 39.24 1xf5 s PHE 99 CO 0.39 -0.57 1.11 -0.51 1.83 0.00 0.00 175.22 177.48 1xf5 s LEU 100 N 1.48 2.71 0.55 6.12 1.43 -0.53 -4.14 118.68 126.31 1xf5 s LEU 100 Ca 0.03 1.11 0.35 0.00 -1.03 0.00 0.00 54.13 54.59 1xf5 s LEU 100 Cb -0.16 -3.78 1.53 0.00 0.03 0.00 0.00 46.19 43.80 1xf5 s LEU 100 CO 0.00 -1.66 2.03 -0.07 0.23 0.00 0.00 176.35 176.89 1xf5 h LEU 101 N -0.88 0.00 -1.50 1.79 -0.00 -1.98 -2.42 115.31 110.33 1xf5 h LEU 101 Ca -0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.41 1xf5 h LEU 101 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.93 1xf5 h LEU 101 CO 0.63 0.00 0.02 0.54 -0.00 0.00 0.00 178.44 179.63 1xf5 n ARG 102 N -3.04 1.23 -3.85 1.13 1.74 -1.26 -4.86 116.66 107.75 1xf5 n ARG 102 Ca 0.00 -0.23 -0.25 0.00 -0.77 0.00 0.00 57.85 56.60 1xf5 n ARG 102 Cb 0.26 -1.41 0.01 0.00 -1.02 0.00 0.00 32.46 30.31 1xf5 n ARG 102 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1xf5 n GLN 103 N 0.15 -4.36 -3.50 5.56 1.13 -0.91 -4.98 117.38 110.47 1xf5 n GLN 103 Ca 0.03 0.53 -0.16 0.00 -1.94 0.00 0.00 57.00 55.46 1xf5 n GLN 103 Cb 0.41 -5.00 -0.05 0.00 0.11 0.00 0.00 30.24 25.71 1xf5 n GLN 103 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1xf5 s TYR 104 N -3.69 -0.61 -0.30 1.08 -0.85 -1.25 -5.00 117.35 106.72 1xf5 s TYR 104 Ca 0.15 0.89 -0.23 0.00 -0.52 0.00 0.00 57.07 57.36 1xf5 s TYR 104 Cb -0.07 0.45 0.00 0.00 0.38 0.00 0.00 41.96 42.72 1xf5 s TYR 104 CO 0.85 -0.66 0.79 -0.06 -1.52 0.00 0.00 175.55 174.94 1xf5 s PHE 105 N -1.87 3.20 -0.97 -3.49 0.08 -1.26 -1.45 117.98 112.23 1xf5 s PHE 105 Ca -0.07 0.82 0.21 0.00 0.12 0.00 0.00 56.93 58.00 1xf5 s PHE 105 Cb -0.00 -3.21 -0.21 0.00 -0.57 0.00 0.00 43.02 39.03 1xf5 s PHE 105 CO 0.04 -0.56 0.91 -0.40 -0.10 0.00 0.00 175.22 175.10 1xf5 n ASP 106 N 6.19 0.95 -3.71 1.36 5.75 -1.20 -4.93 116.55 120.96 1xf5 n ASP 106 Ca 0.04 -0.94 -0.12 0.00 -0.01 0.00 0.00 54.79 53.76 1xf5 n ASP 106 Cb 0.48 1.00 -0.10 0.00 -1.03 0.00 0.00 41.12 41.47 1xf5 n ASP 106 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1xf5 s VAL 107 N -3.02 -0.01 0.17 2.12 0.11 -1.26 -5.04 120.40 113.47 1xf5 s VAL 107 Ca 0.08 0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.23 1xf5 s VAL 107 Cb 0.16 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 1xf5 s VAL 107 CO 0.86 0.02 -0.13 0.26 -3.33 0.00 0.00 175.10 172.79 1xf5 s TRP 108 N 0.76 1.48 0.51 1.54 0.52 -1.26 -1.14 118.94 121.34 1xf5 s TRP 108 Ca -0.04 -0.65 0.01 0.00 0.02 0.00 0.00 56.10 55.44 1xf5 s TRP 108 Cb -0.05 -0.72 0.02 0.00 -1.15 0.00 0.00 33.47 31.56 1xf5 s TRP 108 CO -0.05 0.21 0.73 0.20 0.02 0.00 0.00 176.95 178.06 1xf5 s GLY 109 N -3.12 1.74 0.13 0.98 0.00 -0.49 -4.46 107.32 102.09 1xf5 s GLY 109 Ca 0.18 -1.24 0.13 0.00 0.00 0.00 0.00 44.72 43.79 1xf5 s GLY 109 CO 0.04 -1.00 1.41 0.00 0.00 0.00 0.00 173.10 173.55 1xf5 n ALA 110 N -2.23 1.30 -0.05 3.20 0.00 -1.26 -4.74 120.51 116.73 1xf5 n ALA 110 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1xf5 n ALA 110 Cb 0.59 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1xf5 n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xf5 n GLY 111 N -0.79 -2.84 3.51 0.00 0.00 -1.26 -4.96 105.19 98.86 1xf5 n GLY 111 Ca 0.01 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.39 1xf5 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xf5 s THR 112 N -4.00 4.39 -0.45 2.61 2.01 0.14 -4.86 115.64 115.48 1xf5 s THR 112 Ca 0.00 -0.16 -0.21 0.00 0.31 0.00 0.00 61.69 61.63 1xf5 s THR 112 Cb 0.00 -3.01 0.03 0.00 0.01 0.00 0.00 72.50 69.53 1xf5 s THR 112 CO 0.00 0.40 0.67 -0.89 -0.69 0.00 0.00 174.62 174.11 1xf5 s THR 113 N 1.02 4.79 -0.27 -0.82 2.01 -1.26 -0.15 115.64 120.95 1xf5 s THR 113 Ca 0.03 0.10 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 1xf5 s THR 113 Cb -0.14 -4.24 0.03 0.00 0.01 0.00 0.00 72.50 68.15 1xf5 s THR 113 CO 0.03 -0.65 -0.02 0.54 -0.69 0.00 0.00 174.62 173.82 1xf5 s VAL 114 N 2.91 3.15 -0.19 3.82 0.11 -0.74 -1.77 120.40 127.69 1xf5 s VAL 114 Ca 0.23 -1.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.14 1xf5 s VAL 114 Cb -0.14 -2.64 -0.04 0.00 -1.53 0.00 0.00 36.38 32.02 1xf5 s VAL 114 CO 0.19 0.12 0.32 -0.89 -3.33 0.00 0.00 175.10 171.51 1xf5 s THR 115 N 1.36 5.27 -0.44 5.04 2.01 0.15 -2.51 115.64 126.52 1xf5 s THR 115 Ca -0.00 0.57 -0.16 0.00 0.31 0.00 0.00 61.69 62.41 1xf5 s THR 115 Cb -0.17 -3.65 0.04 0.00 0.01 0.00 0.00 72.50 68.72 1xf5 s THR 115 CO -0.02 0.33 0.36 -0.69 -0.69 0.00 0.00 174.62 173.91 1xf5 s VAL 116 N 0.89 5.22 0.18 3.82 1.01 -1.26 -1.42 120.40 128.83 1xf5 s VAL 116 Ca 0.16 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 1xf5 s VAL 116 Cb -0.14 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.25 1xf5 s VAL 116 CO 0.06 -0.44 0.54 -0.55 0.00 0.00 0.00 175.10 174.70 1xf5 s SER 117 N 2.08 -0.36 0.02 3.32 0.15 -0.38 -4.83 113.70 113.70 1xf5 s SER 117 Ca 0.06 -0.30 0.23 0.00 0.70 0.00 0.00 55.95 56.64 1xf5 s SER 117 Cb -0.21 0.58 0.03 0.00 -1.71 0.00 0.00 66.02 64.70 1xf5 s SER 117 CO 0.09 -1.01 1.03 -1.54 1.20 0.00 0.00 173.24 173.02 1xf5 n SER 118 N -0.34 0.69 -4.76 5.45 3.41 -1.26 -3.15 113.62 113.65 1xf5 n SER 118 Ca -0.13 -0.48 -0.38 0.00 -0.26 0.00 0.00 58.87 57.62 1xf5 n SER 118 Cb 0.63 0.82 0.01 0.00 -0.26 0.00 0.00 64.21 65.41 1xf5 n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xf5 s ALA 119 N -3.11 3.07 0.46 7.33 0.00 -1.26 -4.99 121.76 123.25 1xf5 s ALA 119 Ca 0.06 1.17 -0.20 0.00 0.00 0.00 0.00 51.96 52.99 1xf5 s ALA 119 Cb 0.16 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1xf5 s ALA 119 CO 0.81 -0.91 0.96 -1.59 0.00 0.00 0.00 175.76 175.04 1xf5 s LYS 120 N -2.54 4.12 -0.03 0.00 -2.85 -1.26 -5.00 119.74 112.18 1xf5 s LYS 120 Ca 0.62 1.08 -0.30 0.00 -1.00 0.00 0.00 55.97 56.37 1xf5 s LYS 120 Cb -0.36 -2.16 -0.05 0.00 -2.06 0.00 0.00 37.83 33.20 1xf5 s LYS 120 CO 0.44 -0.12 1.41 0.99 0.10 0.00 0.00 175.35 178.17 1xf5 s THR 121 N -2.31 3.77 -0.03 3.79 2.01 -1.26 -4.73 115.64 116.89 1xf5 s THR 121 Ca 0.61 1.11 -0.00 0.00 0.31 0.00 0.00 61.69 63.72 1xf5 s THR 121 Cb -0.10 -3.71 0.03 0.00 0.01 0.00 0.00 72.50 68.73 1xf5 s THR 121 CO 0.19 -0.03 0.03 0.28 -0.69 0.00 0.00 174.62 174.40 1xf5 s THR 122 N 2.73 0.01 0.69 -0.82 -1.32 0.11 -4.97 115.64 112.06 1xf5 s THR 122 Ca 0.64 0.21 -0.15 0.00 -1.21 0.00 0.00 61.69 61.18 1xf5 s THR 122 Cb -0.30 -0.15 0.02 0.00 -1.51 0.00 0.00 72.50 70.55 1xf5 s THR 122 CO 0.25 0.12 1.14 -2.16 -2.21 0.00 0.00 174.62 171.77 1xf5 s PRO 123 N 1.25 2.53 0.53 7.08 0.04 -1.26 -0.86 135.00 144.30 1xf5 s PRO 123 Ca -0.07 1.51 -0.04 0.00 0.04 0.00 0.00 61.00 62.45 1xf5 s PRO 123 Cb -0.13 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1xf5 s PRO 123 CO -0.03 -1.49 0.81 -1.25 0.04 0.00 0.00 177.00 175.09 1xf5 s PRO 124 N -4.06 3.02 -0.15 0.56 0.04 -1.26 -4.50 135.00 128.65 1xf5 s PRO 124 Ca 0.69 -0.16 -0.06 0.00 0.04 0.00 0.00 61.00 61.52 1xf5 s PRO 124 Cb -0.23 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 1xf5 s PRO 124 CO 0.43 -0.51 0.05 -1.12 0.04 0.00 0.00 177.00 175.89 1xf5 s SER 125 N -4.26 5.55 -0.30 6.66 0.01 0.02 -4.94 113.70 116.44 1xf5 s SER 125 Ca 0.51 0.13 -0.00 0.00 1.31 0.00 0.00 55.95 57.90 1xf5 s SER 125 Cb -0.10 -1.83 0.06 0.00 0.21 0.00 0.00 66.02 64.35 1xf5 s SER 125 CO 0.43 0.26 -0.02 -0.69 0.41 0.00 0.00 173.24 173.63 1xf5 s VAL 126 N -0.16 2.77 -0.15 3.43 1.01 -1.26 -0.86 120.40 125.17 1xf5 s VAL 126 Ca 0.07 -1.51 -0.07 0.00 0.00 0.00 0.00 61.98 60.47 1xf5 s VAL 126 Cb -0.12 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1xf5 s VAL 126 CO 0.01 -0.13 0.08 -0.31 0.00 0.00 0.00 175.10 174.76 1xf5 s TYR 127 N 1.20 3.34 0.23 5.22 2.02 -0.31 -4.95 117.35 124.10 1xf5 s TYR 127 Ca -0.05 0.23 -0.30 0.00 -0.37 0.00 0.00 57.07 56.58 1xf5 s TYR 127 Cb -0.20 -2.00 -0.09 0.00 -0.40 0.00 0.00 41.96 39.27 1xf5 s TYR 127 CO -0.02 0.37 1.01 -1.25 -1.57 0.00 0.00 175.55 174.08 1xf5 s PRO 128 N -0.19 4.74 -0.59 -1.71 0.04 -1.26 -1.53 135.00 134.49 1xf5 s PRO 128 Ca 0.08 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.72 1xf5 s PRO 128 Cb -0.12 -3.27 0.15 0.00 0.04 0.00 0.00 34.50 31.31 1xf5 s PRO 128 CO 0.01 0.33 0.39 -0.51 0.04 0.00 0.00 177.00 177.26 1xf5 s LEU 129 N -0.98 5.02 0.19 -3.56 1.43 -0.11 -4.93 118.68 115.74 1xf5 s LEU 129 Ca 0.44 -2.86 -0.02 0.00 -1.03 0.00 0.00 54.13 50.66 1xf5 s LEU 129 Cb -0.28 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 1xf5 s LEU 129 CO 0.35 -0.34 0.39 0.00 0.23 0.00 0.00 176.35 176.98 1xf5 s ALA 130 N -0.07 3.81 1.26 4.21 0.00 -1.26 -2.07 121.76 127.63 1xf5 s ALA 130 Ca 0.17 -0.73 -0.15 0.00 0.00 0.00 0.00 51.96 51.24 1xf5 s ALA 130 Cb -0.22 -2.05 0.31 0.00 0.00 0.00 0.00 23.12 21.17 1xf5 s ALA 130 CO -0.03 0.50 0.93 -0.35 0.00 0.00 0.00 175.76 176.81 1xf5 n PRO 131 N -0.44 -3.07 0.00 0.00 -0.04 -1.26 -5.00 135.00 125.19 1xf5 n PRO 131 Ca -0.04 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1xf5 n PRO 131 Cb 0.53 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 1xf5 n PRO 131 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xf5 n GLY 132 N 1.29 -1.89 0.00 0.55 0.00 -1.26 -4.67 105.19 99.21 1xf5 n GLY 132 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1xf5 n GLY 132 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xf5 n SER 133 N 0.00 0.00 -3.45 1.61 7.64 -1.26 -4.69 113.62 113.47 1xf5 n SER 133 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1xf5 n SER 133 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1xf5 n SER 133 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xf5 n ALA 134 N -0.31 4.45 0.00 -0.43 0.00 -1.26 -4.28 120.51 118.68 1xf5 n ALA 134 Ca 0.00 -4.77 0.00 0.00 0.00 0.00 0.00 53.44 48.67 1xf5 n ALA 134 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1xf5 n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xf5 n ALA 135 N 0.71 0.00 -0.75 0.00 0.00 -1.26 -5.17 120.51 114.04 1xf5 n ALA 135 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.71 1xf5 n ALA 135 Cb 0.39 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.90 1xf5 n ALA 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xf5 n GLN 136 N 0.00 0.05 -2.66 0.00 1.13 -1.26 -4.80 117.38 109.84 1xf5 n GLN 136 Ca 0.00 -0.29 -0.01 0.00 -1.94 0.00 0.00 57.00 54.75 1xf5 n GLN 136 Cb 0.00 -0.76 -0.01 0.00 0.11 0.00 0.00 30.24 29.58 1xf5 n GLN 136 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1xf5 n THR 137 N -3.30 -4.78 -3.91 5.09 -1.04 -1.26 -5.07 114.28 100.01 1xf5 n THR 137 Ca 0.03 0.97 -0.09 0.00 -2.04 0.00 0.00 64.05 62.92 1xf5 n THR 137 Cb 0.12 -3.57 -0.04 0.00 -1.82 0.00 0.00 70.33 65.01 1xf5 n THR 137 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1xf5 s ASN 138 N -0.21 -0.15 0.11 8.00 2.47 -1.26 -5.06 114.94 118.83 1xf5 s ASN 138 Ca -0.07 -0.76 -0.28 0.00 0.42 0.00 0.00 52.86 52.17 1xf5 s ASN 138 Cb 0.00 0.60 -0.09 0.00 -1.45 0.00 0.00 41.25 40.31 1xf5 s ASN 138 CO 0.18 -1.13 1.63 -1.28 -3.72 0.00 0.00 177.10 172.78 1xf5 h SER 139 N 2.22 -0.77 -2.19 -4.21 0.87 -1.98 -3.40 113.55 104.08 1xf5 h SER 139 Ca -0.26 0.09 -0.53 0.00 -1.23 0.00 0.00 61.79 59.85 1xf5 h SER 139 Cb 1.25 0.29 -0.07 0.00 -0.44 0.00 0.00 62.40 63.43 1xf5 h SER 139 CO 0.35 -0.37 -0.59 -0.04 -0.53 0.00 0.00 176.83 175.65 1xf5 s MET 140 N -6.05 2.57 -0.02 2.24 -1.94 -1.26 -0.58 119.30 114.26 1xf5 s MET 140 Ca -0.16 -1.26 -0.00 0.00 -1.71 0.00 0.00 55.69 52.56 1xf5 s MET 140 Cb 0.08 -2.34 0.03 0.00 2.01 0.00 0.00 34.83 34.61 1xf5 s MET 140 CO 0.65 0.38 0.03 0.54 -0.01 0.00 0.00 175.02 176.60 1xf5 s VAL 141 N -2.24 -0.05 -0.16 -6.03 0.11 -0.69 -4.68 120.40 106.66 1xf5 s VAL 141 Ca 0.32 0.22 -0.11 0.00 -2.93 0.00 0.00 61.98 59.48 1xf5 s VAL 141 Cb -0.07 -0.09 -0.05 0.00 -1.53 0.00 0.00 36.38 34.64 1xf5 s VAL 141 CO 0.22 0.10 0.21 -0.89 -3.33 0.00 0.00 175.10 171.41 1xf5 s THR 142 N 1.11 5.36 0.36 5.04 2.01 -1.26 -2.20 115.64 126.06 1xf5 s THR 142 Ca -0.09 0.37 0.08 0.00 0.31 0.00 0.00 61.69 62.36 1xf5 s THR 142 Cb -0.13 -3.53 -0.07 0.00 0.01 0.00 0.00 72.50 68.78 1xf5 s THR 142 CO -0.03 0.47 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.57 1xf5 s LEU 143 N 0.04 2.73 0.29 4.42 1.43 0.04 -4.55 118.68 123.06 1xf5 s LEU 143 Ca 0.14 -1.29 -0.19 0.00 -1.03 0.00 0.00 54.13 51.75 1xf5 s LEU 143 Cb -0.12 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.25 1xf5 s LEU 143 CO 0.02 -0.36 0.70 -0.83 0.23 0.00 0.00 176.35 176.11 1xf5 s GLY 144 N -3.63 0.03 -0.04 -3.19 0.00 -0.88 -1.27 107.32 98.35 1xf5 s GLY 144 Ca 0.34 -0.42 0.02 0.00 0.00 0.00 0.00 44.72 44.66 1xf5 s GLY 144 CO 0.17 -0.18 -0.10 0.00 0.00 0.00 0.00 173.10 172.99 1xf5 s LEU 146 N 0.41 4.16 -0.65 0.00 2.96 -0.58 -1.39 118.68 123.58 1xf5 s LEU 146 Ca -0.07 -0.87 -0.14 0.00 -0.22 0.00 0.00 54.13 52.83 1xf5 s LEU 146 Cb -0.11 -1.91 0.17 0.00 0.50 0.00 0.00 46.19 44.83 1xf5 s LEU 146 CO 0.01 -0.26 0.59 -0.69 -1.32 0.00 0.00 176.35 174.68 1xf5 s VAL 147 N 1.49 5.22 -0.09 1.68 1.01 0.12 -1.16 120.40 128.67 1xf5 s VAL 147 Ca 0.01 -1.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.03 1xf5 s VAL 147 Cb -0.18 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 1xf5 s VAL 147 CO 0.04 -0.92 -0.06 -0.75 0.00 0.00 0.00 175.10 173.40 1xf5 s LYS 148 N 0.95 3.02 -0.39 2.72 2.20 -0.04 -1.05 119.74 127.15 1xf5 s LYS 148 Ca 0.10 -0.54 -0.02 0.00 -0.36 0.00 0.00 55.97 55.15 1xf5 s LYS 148 Cb -0.22 -2.69 -0.02 0.00 -1.51 0.00 0.00 37.83 33.40 1xf5 s LYS 148 CO -0.02 0.54 0.34 0.41 -0.36 0.00 0.00 175.35 176.25 1xf5 n GLY 149 N 2.60 0.17 3.37 5.54 0.00 -0.38 -0.80 105.19 115.69 1xf5 n GLY 149 Ca -0.18 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 1xf5 n GLY 149 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xf5 s TYR 150 N -3.14 1.77 -0.29 1.61 1.13 -0.33 -4.18 117.35 113.93 1xf5 s TYR 150 Ca 0.14 -0.69 -0.23 0.00 -1.41 0.00 0.00 57.07 54.87 1xf5 s TYR 150 Cb -0.02 -0.95 0.14 0.00 -1.10 0.00 0.00 41.96 40.03 1xf5 s TYR 150 CO 0.26 0.25 1.08 0.12 -2.51 0.00 0.00 175.55 174.75 1xf5 s PHE 151 N -3.08 -0.44 0.06 -3.49 5.36 -0.04 0.58 117.98 116.93 1xf5 s PHE 151 Ca 0.26 1.01 0.01 0.00 -0.96 0.00 0.00 56.93 57.24 1xf5 s PHE 151 Cb 0.02 0.37 0.01 0.00 -0.34 0.00 0.00 43.02 43.08 1xf5 s PHE 151 CO 0.09 -0.21 0.08 -0.35 -1.46 0.00 0.00 175.22 173.37 1xf5 n PRO 152 N 2.47 0.81 -1.50 10.12 -0.04 -1.26 0.06 135.00 145.65 1xf5 n PRO 152 Ca -0.14 -0.27 -0.31 0.00 -0.04 0.00 0.00 63.50 62.74 1xf5 n PRO 152 Cb 0.56 -0.04 0.06 0.00 -0.04 0.00 0.00 33.50 34.05 1xf5 n PRO 152 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xf5 s GLU 153 N -2.39 2.76 0.15 0.54 0.41 -1.26 -4.79 118.70 114.12 1xf5 s GLU 153 Ca 0.06 0.98 0.02 0.00 -0.41 0.00 0.00 54.97 55.62 1xf5 s GLU 153 Cb -0.00 -1.97 0.02 0.00 -1.78 0.00 0.00 34.13 30.40 1xf5 s GLU 153 CO 0.04 -1.23 0.17 -0.35 -0.49 0.00 0.00 175.26 173.40 1xf5 n PRO 154 N -3.22 1.04 -3.72 0.39 -0.04 -1.26 -4.90 135.00 123.27 1xf5 n PRO 154 Ca 0.08 -0.84 -0.12 0.00 -0.04 0.00 0.00 63.50 62.57 1xf5 n PRO 154 Cb 0.54 -0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.87 1xf5 n PRO 154 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xf5 s VAL 155 N -0.22 -0.03 0.16 0.52 1.01 -1.26 -4.30 120.40 116.28 1xf5 s VAL 155 Ca 0.13 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.28 1xf5 s VAL 155 Cb -0.01 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1xf5 s VAL 155 CO 0.08 0.05 0.14 0.42 0.00 0.00 0.00 175.10 175.79 1xf5 s THR 156 N 1.18 4.50 -0.02 3.92 -4.23 -0.66 -4.94 115.64 115.39 1xf5 s THR 156 Ca -0.08 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1xf5 s THR 156 Cb -0.09 -3.30 0.02 0.00 1.34 0.00 0.00 72.50 70.47 1xf5 s THR 156 CO -0.09 -0.11 0.04 -0.69 -0.54 0.00 0.00 174.62 173.23 1xf5 s VAL 157 N -1.75 -0.03 0.08 2.29 1.01 -1.26 -1.83 120.40 118.90 1xf5 s VAL 157 Ca 0.31 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.42 1xf5 s VAL 157 Cb -0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 1xf5 s VAL 157 CO 0.23 0.05 -0.05 0.42 0.00 0.00 0.00 175.10 175.75 1xf5 s THR 158 N 0.65 0.52 -0.11 3.92 -4.23 0.31 -4.96 115.64 111.74 1xf5 s THR 158 Ca -0.05 -1.84 0.02 0.00 -1.18 0.00 0.00 61.69 58.63 1xf5 s THR 158 Cb -0.08 -1.56 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 1xf5 s THR 158 CO -0.02 -0.89 -0.16 0.26 -0.54 0.00 0.00 174.62 173.27 1xf5 s TRP 159 N -3.59 2.72 -1.44 3.99 0.52 -1.26 0.15 118.94 120.03 1xf5 s TRP 159 Ca 0.09 -0.63 -0.01 0.00 0.02 0.00 0.00 56.10 55.58 1xf5 s TRP 159 Cb 0.05 -1.77 0.00 0.00 -1.15 0.00 0.00 33.47 30.61 1xf5 s TRP 159 CO -0.06 -0.17 0.32 0.09 0.02 0.00 0.00 176.95 177.14 1xf5 n ASN 160 N 3.26 -0.08 -3.13 2.95 4.13 0.31 -0.72 115.26 121.99 1xf5 n ASN 160 Ca -0.18 -1.08 -0.22 0.00 1.68 0.00 0.00 54.58 54.78 1xf5 n ASN 160 Cb 0.53 -2.67 0.01 0.00 -1.54 0.00 0.00 39.78 36.11 1xf5 n ASN 160 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1xf5 n SER 161 N -2.95 -4.63 0.00 6.41 7.64 -1.26 -0.72 113.62 118.11 1xf5 n SER 161 Ca -0.31 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.28 1xf5 n SER 161 Cb 0.69 -3.80 0.00 0.00 -1.01 0.00 0.00 64.21 60.09 1xf5 n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xf5 n GLY 162 N -1.26 1.20 0.09 0.23 0.00 0.10 -4.91 105.19 100.65 1xf5 n GLY 162 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1xf5 n GLY 162 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xf5 h SER 163 N 0.00 0.03 -3.59 1.61 0.02 -0.69 -3.35 113.55 107.58 1xf5 h SER 163 Ca 0.00 0.02 -0.63 0.00 -0.84 0.00 0.00 61.79 60.34 1xf5 h SER 163 Cb 0.00 0.02 -0.13 0.00 0.14 0.00 0.00 62.40 62.43 1xf5 h SER 163 CO 0.00 0.04 0.31 -0.76 -1.14 0.00 0.00 176.83 175.28 1xf5 s LEU 164 N -10.26 4.25 0.00 5.07 1.43 -1.07 -4.83 118.68 113.27 1xf5 s LEU 164 Ca -0.13 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1xf5 s LEU 164 Cb 0.09 -2.93 0.00 0.00 0.03 0.00 0.00 46.19 43.37 1xf5 s LEU 164 CO 0.68 -0.82 0.00 -1.54 0.23 0.00 0.00 176.35 174.90 1xf5 n SER 165 N 6.52 3.99 -4.88 2.29 3.41 -1.26 -4.15 113.62 119.54 1xf5 n SER 165 Ca 0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.31 1xf5 n SER 165 Cb 0.48 0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 64.74 1xf5 n SER 165 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1xf5 s SER 166 N -2.81 6.59 -0.86 4.04 1.04 -1.26 -3.98 113.70 116.45 1xf5 s SER 166 Ca 0.00 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.31 1xf5 s SER 166 Cb 0.00 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.91 1xf5 s SER 166 CO 0.00 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1xf5 n GLY 167 N -0.31 0.15 3.30 7.32 0.00 -1.26 -4.71 105.19 109.68 1xf5 n GLY 167 Ca 0.00 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 1xf5 n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf5 s VAL 168 N -2.46 2.55 -0.14 1.61 1.01 -1.26 -1.02 120.40 120.69 1xf5 s VAL 168 Ca 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 1xf5 s VAL 168 Cb 0.00 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.39 1xf5 s VAL 168 CO 0.00 0.54 -0.06 -1.00 0.00 0.00 0.00 175.10 174.59 1xf5 s HIS 169 N 0.31 1.54 -0.28 5.22 3.76 0.22 -4.98 115.29 121.08 1xf5 s HIS 169 Ca -0.14 -0.89 -0.03 0.00 -0.15 0.00 0.00 55.06 53.85 1xf5 s HIS 169 Cb -0.17 -1.25 0.03 0.00 1.11 0.00 0.00 32.58 32.30 1xf5 s HIS 169 CO 0.07 -0.56 -0.00 0.99 -0.85 0.00 0.00 174.74 174.39 1xf5 s THR 170 N 1.69 3.20 0.16 1.30 2.01 -1.26 0.46 115.64 123.20 1xf5 s THR 170 Ca 0.03 -1.08 -0.25 0.00 0.31 0.00 0.00 61.69 60.70 1xf5 s THR 170 Cb -0.14 -2.71 -0.08 0.00 0.01 0.00 0.00 72.50 69.58 1xf5 s THR 170 CO -0.08 0.05 0.76 -0.36 -0.69 0.00 0.00 174.62 174.30 1xf5 s PHE 171 N 1.34 3.90 0.54 4.92 0.40 -0.19 -5.00 117.98 123.90 1xf5 s PHE 171 Ca -0.01 1.60 -0.21 0.00 -0.60 0.00 0.00 56.93 57.72 1xf5 s PHE 171 Cb -0.18 -2.74 -0.07 0.00 0.51 0.00 0.00 43.02 40.54 1xf5 s PHE 171 CO -0.01 0.52 1.03 -2.30 0.70 0.00 0.00 175.22 175.16 1xf5 n PRO 172 N 1.58 1.16 -1.66 0.24 -0.02 -1.26 -4.06 135.00 130.98 1xf5 n PRO 172 Ca -0.06 0.43 -0.32 0.00 -2.02 0.00 0.00 63.50 61.53 1xf5 n PRO 172 Cb 0.49 -2.19 0.05 0.00 -0.02 0.00 0.00 33.50 31.83 1xf5 n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xf5 s ALA 173 N -1.42 2.53 0.02 3.55 0.00 -1.26 -4.79 121.76 120.39 1xf5 s ALA 173 Ca 0.71 0.33 0.01 0.00 0.00 0.00 0.00 51.96 53.01 1xf5 s ALA 173 Cb -0.45 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 1xf5 s ALA 173 CO 0.50 -1.28 -0.04 0.08 0.00 0.00 0.00 175.76 175.03 1xf5 s VAL 174 N -2.67 0.23 0.15 0.00 1.01 -0.54 -4.93 120.40 113.65 1xf5 s VAL 174 Ca 0.63 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 61.53 1xf5 s VAL 174 Cb -0.17 -0.32 -0.08 0.00 0.00 0.00 0.00 36.38 35.81 1xf5 s VAL 174 CO 0.47 -0.35 1.31 -0.76 0.00 0.00 0.00 175.10 175.77 1xf5 s LEU 175 N -1.19 4.40 -0.41 3.92 2.01 -1.26 -2.18 118.68 123.96 1xf5 s LEU 175 Ca -0.11 2.31 0.02 0.00 0.01 0.00 0.00 54.13 56.36 1xf5 s LEU 175 Cb -0.08 -3.60 0.14 0.00 0.01 0.00 0.00 46.19 42.66 1xf5 s LEU 175 CO -0.00 -0.55 0.25 -1.58 1.01 0.00 0.00 176.35 175.48 1xf5 s GLN 176 N 0.44 1.00 -0.94 1.70 0.74 0.14 -4.84 119.66 117.90 1xf5 s GLN 176 Ca 0.59 -1.80 -0.02 0.00 0.05 0.00 0.00 55.36 54.18 1xf5 s GLN 176 Cb -0.35 -1.87 -0.03 0.00 1.10 0.00 0.00 33.01 31.86 1xf5 s GLN 176 CO 0.34 -1.21 0.80 0.43 -0.55 0.00 0.00 175.29 175.10 1xf5 n SER 177 N 3.60 -3.72 -3.27 6.67 7.64 -1.26 -3.09 113.62 120.19 1xf5 n SER 177 Ca 0.13 -0.55 -0.24 0.00 1.01 0.00 0.00 58.87 59.22 1xf5 n SER 177 Cb 0.37 -4.38 0.03 0.00 -1.01 0.00 0.00 64.21 59.23 1xf5 n SER 177 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1xf5 n ASP 178 N -2.84 -5.52 -3.72 6.43 9.92 -1.26 -4.95 116.55 114.61 1xf5 n ASP 178 Ca -0.16 -0.40 -0.13 0.00 -0.53 0.00 0.00 54.79 53.57 1xf5 n ASP 178 Cb 0.62 -4.45 -0.09 0.00 -0.64 0.00 0.00 41.12 36.55 1xf5 n ASP 178 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1xf5 s LEU 179 N -6.80 0.27 0.40 0.64 2.96 -1.18 -5.00 118.68 109.96 1xf5 s LEU 179 Ca 0.40 0.88 -0.13 0.00 -0.22 0.00 0.00 54.13 55.06 1xf5 s LEU 179 Cb -0.19 1.57 -0.08 0.00 0.50 0.00 0.00 46.19 47.99 1xf5 s LEU 179 CO 0.50 -0.18 0.80 -0.31 -1.32 0.00 0.00 176.35 175.84 1xf5 s TYR 180 N 0.15 3.43 -0.03 5.38 1.51 0.20 0.29 117.35 128.27 1xf5 s TYR 180 Ca -0.01 1.18 -0.05 0.00 -1.01 0.00 0.00 57.07 57.19 1xf5 s TYR 180 Cb -0.03 -2.54 0.01 0.00 -0.11 0.00 0.00 41.96 39.29 1xf5 s TYR 180 CO 0.01 -0.09 0.12 0.99 -1.11 0.00 0.00 175.55 175.47 1xf5 s THR 181 N -2.29 0.02 0.25 -0.71 2.01 -0.93 -1.18 115.64 112.82 1xf5 s THR 181 Ca 0.54 -0.20 -0.17 0.00 0.31 0.00 0.00 61.69 62.17 1xf5 s THR 181 Cb -0.10 -0.24 0.01 0.00 0.01 0.00 0.00 72.50 72.18 1xf5 s THR 181 CO 0.26 -0.11 0.59 -1.48 -0.69 0.00 0.00 174.62 173.19 1xf5 s LEU 182 N -0.33 0.03 0.21 4.42 0.05 -0.22 -1.47 118.68 121.38 1xf5 s LEU 182 Ca -0.04 -0.71 -0.05 0.00 0.05 0.00 0.00 54.13 53.37 1xf5 s LEU 182 Cb -0.03 2.24 -0.03 0.00 -2.05 0.00 0.00 46.19 46.32 1xf5 s LEU 182 CO 0.00 -1.21 0.25 -0.94 -0.55 0.00 0.00 176.35 173.90 1xf5 s SER 183 N -2.95 0.07 -0.13 1.48 1.04 -1.26 0.15 113.70 112.11 1xf5 s SER 183 Ca 0.15 -1.20 -0.12 0.00 0.48 0.00 0.00 55.95 55.27 1xf5 s SER 183 Cb -0.03 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.57 1xf5 s SER 183 CO 0.06 -0.93 0.34 -0.55 0.98 0.00 0.00 173.24 173.13 1xf5 s SER 184 N -3.10 -0.35 0.20 7.02 0.15 -0.49 -1.02 113.70 116.12 1xf5 s SER 184 Ca 0.31 0.68 0.10 0.00 0.70 0.00 0.00 55.95 57.74 1xf5 s SER 184 Cb 0.04 0.68 -0.04 0.00 -1.71 0.00 0.00 66.02 64.99 1xf5 s SER 184 CO 0.10 -0.12 -0.21 -0.94 1.20 0.00 0.00 173.24 173.27 1xf5 s SER 185 N 0.19 3.20 -0.12 5.45 1.04 0.17 -0.65 113.70 122.99 1xf5 s SER 185 Ca -0.00 -0.90 -0.08 0.00 0.48 0.00 0.00 55.95 55.45 1xf5 s SER 185 Cb -0.02 -0.23 0.04 0.00 0.10 0.00 0.00 66.02 65.91 1xf5 s SER 185 CO 0.00 0.05 0.29 0.54 0.98 0.00 0.00 173.24 175.10 1xf5 s VAL 186 N -1.98 -0.02 -0.09 5.02 0.11 -0.40 -0.61 120.40 122.43 1xf5 s VAL 186 Ca 0.21 0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.34 1xf5 s VAL 186 Cb -0.06 -0.42 -0.02 0.00 -1.53 0.00 0.00 36.38 34.34 1xf5 s VAL 186 CO 0.10 0.03 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.84 1xf5 s THR 187 N 0.70 2.85 0.10 5.04 2.01 -0.19 -0.78 115.64 125.37 1xf5 s THR 187 Ca -0.04 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 1xf5 s THR 187 Cb -0.06 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 1xf5 s THR 187 CO -0.04 0.56 0.02 0.68 -0.69 0.00 0.00 174.62 175.14 1xf5 s VAL 188 N -0.09 0.20 0.07 3.82 -7.23 -0.93 -4.78 120.40 111.45 1xf5 s VAL 188 Ca -0.03 -1.88 -0.32 0.00 -1.81 0.00 0.00 61.98 57.94 1xf5 s VAL 188 Cb -0.14 -1.86 -0.11 0.00 0.56 0.00 0.00 36.38 34.83 1xf5 s VAL 188 CO 0.04 -0.66 1.85 -2.65 -0.31 0.00 0.00 175.10 173.36 1xf5 n PRO 189 N -0.03 2.62 0.25 4.82 -0.02 -1.26 -1.71 135.00 139.67 1xf5 n PRO 189 Ca -0.09 0.96 0.10 0.00 -2.02 0.00 0.00 63.50 62.45 1xf5 n PRO 189 Cb 0.63 -2.84 0.40 0.00 -0.02 0.00 0.00 33.50 31.66 1xf5 n PRO 189 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1xf5 h SER 190 N 8.81 0.00 1.78 2.55 0.87 -1.06 0.79 113.55 127.30 1xf5 h SER 190 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1xf5 h SER 190 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1xf5 h SER 190 CO 0.94 0.00 0.00 0.77 -0.53 0.00 0.00 176.83 178.01 1xf5 h SER 191 N 0.00 0.00 0.27 6.23 4.64 -1.87 -3.23 113.55 119.59 1xf5 h SER 191 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1xf5 h SER 191 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1xf5 h SER 191 CO -0.00 0.00 -0.52 0.35 -0.87 0.00 0.00 176.83 175.79 1xf5 n THR 192 N -2.87 0.00 -3.99 2.95 -2.24 0.27 -4.48 114.28 103.93 1xf5 n THR 192 Ca 0.04 -0.07 -0.17 0.00 -2.27 0.00 0.00 64.05 61.59 1xf5 n THR 192 Cb 0.49 0.55 -0.16 0.00 -2.10 0.00 0.00 70.33 69.11 1xf5 n THR 192 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1xf5 s TRP 193 N -2.79 0.36 -2.00 4.78 -0.00 -1.22 0.21 118.94 118.28 1xf5 s TRP 193 Ca 0.15 -0.04 0.11 0.00 -0.00 0.00 0.00 56.10 56.33 1xf5 s TRP 193 Cb 0.18 -0.39 0.67 0.00 -0.00 0.00 0.00 33.47 33.93 1xf5 s TRP 193 CO 0.66 -0.11 1.38 -0.35 -0.00 0.00 0.00 176.95 178.53 1xf5 n PRO 194 N 3.85 0.93 -0.26 5.86 -0.04 -1.26 -4.84 135.00 139.25 1xf5 n PRO 194 Ca -0.24 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.28 1xf5 n PRO 194 Cb 0.52 -1.19 0.17 0.00 -0.04 0.00 0.00 33.50 32.96 1xf5 n PRO 194 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1xf5 h SER 195 N 0.00 -0.25 -3.47 3.54 0.02 -1.78 -3.37 113.55 108.24 1xf5 h SER 195 Ca 0.00 0.18 -0.67 0.00 -0.84 0.00 0.00 61.79 60.46 1xf5 h SER 195 Cb 0.00 0.31 -0.18 0.00 0.14 0.00 0.00 62.40 62.67 1xf5 h SER 195 CO 0.00 -0.15 -0.66 -1.61 -1.14 0.00 0.00 176.83 173.27 1xf5 s GLU 196 N -6.09 3.04 -0.02 3.45 0.41 0.57 -5.05 118.70 115.01 1xf5 s GLU 196 Ca -0.13 -0.49 -0.30 0.00 -0.41 0.00 0.00 54.97 53.63 1xf5 s GLU 196 Cb 0.22 -2.73 -0.04 0.00 -1.78 0.00 0.00 34.13 29.80 1xf5 s GLU 196 CO 0.75 0.58 1.25 0.95 -0.49 0.00 0.00 175.26 178.31 1xf5 s THR 197 N -0.57 4.06 -0.20 3.63 -4.23 -1.26 -4.43 115.64 112.64 1xf5 s THR 197 Ca 0.09 1.43 -0.07 0.00 -1.18 0.00 0.00 61.69 61.95 1xf5 s THR 197 Cb -0.12 -3.92 -0.04 0.00 1.34 0.00 0.00 72.50 69.77 1xf5 s THR 197 CO 0.02 0.02 0.07 -0.69 -0.54 0.00 0.00 174.62 173.50 1xf5 s VAL 198 N 2.03 4.64 -0.03 2.29 1.01 -1.26 -4.98 120.40 124.10 1xf5 s VAL 198 Ca 0.58 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1xf5 s VAL 198 Cb -0.27 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.00 1xf5 s VAL 198 CO 0.25 0.42 -0.09 -0.89 0.00 0.00 0.00 175.10 174.78 1xf5 s THR 199 N 0.78 0.84 -0.09 3.92 2.01 -1.26 -1.08 115.64 120.76 1xf5 s THR 199 Ca 0.03 -0.37 -0.04 0.00 0.31 0.00 0.00 61.69 61.62 1xf5 s THR 199 Cb -0.13 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 1xf5 s THR 199 CO 0.02 0.26 0.08 0.00 -0.69 0.00 0.00 174.62 174.30 1xf5 s ASN 201 N -1.08 4.28 -0.06 0.00 0.01 0.38 -2.41 114.94 116.06 1xf5 s ASN 201 Ca 0.16 -0.90 0.05 0.00 -0.71 0.00 0.00 52.86 51.45 1xf5 s ASN 201 Cb -0.12 -1.65 -0.02 0.00 0.41 0.00 0.00 41.25 39.87 1xf5 s ASN 201 CO 0.05 -0.13 -0.19 0.54 -1.51 0.00 0.00 177.10 175.86 1xf5 s VAL 202 N 1.31 2.59 -0.03 1.60 0.11 -0.95 -0.53 120.40 124.50 1xf5 s VAL 202 Ca -0.00 -0.88 0.03 0.00 -2.93 0.00 0.00 61.98 58.20 1xf5 s VAL 202 Cb -0.17 -1.99 -0.00 0.00 -1.53 0.00 0.00 36.38 32.69 1xf5 s VAL 202 CO -0.05 0.57 -0.12 0.00 -3.33 0.00 0.00 175.10 172.18 1xf5 s ALA 203 N -0.39 1.06 -0.58 1.54 0.00 -0.76 -1.07 121.76 121.56 1xf5 s ALA 203 Ca 0.04 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.58 1xf5 s ALA 203 Cb -0.12 -0.36 0.15 0.00 0.00 0.00 0.00 23.12 22.79 1xf5 s ALA 203 CO 0.02 0.19 0.36 -1.58 0.00 0.00 0.00 175.76 174.75 1xf5 s HIS 204 N 0.08 3.05 0.37 0.00 2.46 0.49 -1.65 115.29 120.10 1xf5 s HIS 204 Ca -0.02 -3.09 0.18 0.00 0.47 0.00 0.00 55.06 52.60 1xf5 s HIS 204 Cb -0.09 -2.54 1.16 0.00 -0.13 0.00 0.00 32.58 30.99 1xf5 s HIS 204 CO 0.01 -0.67 1.66 -1.35 -2.47 0.00 0.00 174.74 171.92 1xf5 h PRO 205 N 6.04 0.27 -0.27 2.88 0.11 -1.78 -1.42 132.00 137.82 1xf5 h PRO 205 Ca 0.04 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.17 1xf5 h PRO 205 Cb 0.84 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1xf5 h PRO 205 CO 0.65 0.18 0.19 0.00 -0.21 0.00 0.00 178.00 178.81 1xf5 h ALA 206 N 1.79 1.96 -0.32 -0.75 0.00 -1.85 -1.14 119.26 118.95 1xf5 h ALA 206 Ca 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.64 1xf5 h ALA 206 Cb 1.84 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1xf5 h ALA 206 CO -0.55 -0.01 0.00 -1.13 0.00 0.00 0.00 179.25 177.56 1xf5 n SER 207 N -4.49 3.35 -3.96 0.00 3.41 -0.57 -4.95 113.62 106.40 1xf5 n SER 207 Ca 0.02 -2.41 -0.32 0.00 -0.26 0.00 0.00 58.87 55.90 1xf5 n SER 207 Cb 0.18 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.76 1xf5 n SER 207 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xf5 n SER 208 N 0.12 -3.87 -4.65 4.04 7.64 -0.43 -4.94 113.62 111.53 1xf5 n SER 208 Ca 0.16 -0.81 -0.32 0.00 1.01 0.00 0.00 58.87 58.91 1xf5 n SER 208 Cb 0.62 -3.15 -0.09 0.00 -1.01 0.00 0.00 64.21 60.58 1xf5 n SER 208 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xf5 s THR 209 N -3.21 3.90 -0.05 0.44 2.01 -1.00 -4.99 115.64 112.74 1xf5 s THR 209 Ca 0.66 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.85 1xf5 s THR 209 Cb -0.35 -2.76 0.04 0.00 0.01 0.00 0.00 72.50 69.44 1xf5 s THR 209 CO 0.81 0.31 0.10 -0.54 -0.69 0.00 0.00 174.62 174.61 1xf5 s LYS 210 N -1.70 -0.00 -0.11 4.92 1.02 -1.26 -0.38 119.74 122.22 1xf5 s LYS 210 Ca 0.20 0.40 0.01 0.00 0.02 0.00 0.00 55.97 56.60 1xf5 s LYS 210 Cb -0.11 -0.32 0.02 0.00 -0.52 0.00 0.00 37.83 36.89 1xf5 s LYS 210 CO 0.11 -0.26 -0.14 0.54 -0.92 0.00 0.00 175.35 174.68 1xf5 s VAL 211 N 1.81 1.44 -0.62 3.17 0.11 -0.23 -5.01 120.40 121.06 1xf5 s VAL 211 Ca -0.01 -0.60 -0.06 0.00 -2.93 0.00 0.00 61.98 58.38 1xf5 s VAL 211 Cb -0.12 -1.34 0.16 0.00 -1.53 0.00 0.00 36.38 33.55 1xf5 s VAL 211 CO -0.04 0.43 0.47 -1.81 -3.33 0.00 0.00 175.10 170.82 1xf5 s ASP 212 N 1.12 5.60 -0.13 3.54 1.01 -1.26 -2.23 116.67 124.32 1xf5 s ASP 212 Ca -0.04 -2.61 -0.18 0.00 0.71 0.00 0.00 52.55 50.43 1xf5 s ASP 212 Cb -0.14 -1.94 -0.04 0.00 1.01 0.00 0.00 42.92 41.80 1xf5 s ASP 212 CO -0.03 -0.47 0.46 -0.75 0.21 0.00 0.00 175.17 174.58 1xf5 s LYS 213 N 0.30 4.32 -0.11 8.23 2.47 -1.01 -4.93 119.74 129.01 1xf5 s LYS 213 Ca 0.15 0.41 -0.13 0.00 -1.56 0.00 0.00 55.97 54.83 1xf5 s LYS 213 Cb -0.19 -3.44 -0.05 0.00 -1.46 0.00 0.00 37.83 32.69 1xf5 s LYS 213 CO -0.04 0.15 0.30 0.21 0.16 0.00 0.00 175.35 176.13 1xf5 s LYS 214 N 0.65 4.01 -0.23 4.03 2.20 -1.26 -1.61 119.74 127.53 1xf5 s LYS 214 Ca 0.25 0.14 -0.24 0.00 -0.36 0.00 0.00 55.97 55.76 1xf5 s LYS 214 Cb -0.15 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.84 1xf5 s LYS 214 CO 0.09 0.47 0.81 0.42 -0.36 0.00 0.00 175.35 176.78 1xf5 s ILE 215 N -0.24 4.86 0.02 5.43 -1.09 -0.24 -4.95 121.20 125.00 1xf5 s ILE 215 Ca 0.18 1.53 0.02 0.00 -2.23 0.00 0.00 60.65 60.15 1xf5 s ILE 215 Cb -0.14 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 1xf5 s ILE 215 CO 0.07 -0.04 0.00 -0.69 -1.23 0.00 0.00 174.94 173.05 1xf5 s VAL 216 N 2.66 4.13 1.07 2.92 1.01 -1.26 -4.55 120.40 126.37 1xf5 s VAL 216 Ca 0.35 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1xf5 s VAL 216 Cb -0.16 -2.87 0.23 0.00 0.00 0.00 0.00 36.38 33.59 1xf5 s VAL 216 CO 0.08 0.33 1.06 -2.16 0.00 0.00 0.00 175.10 174.41 1xf5 s PRO 217 N -1.71 -0.17 0.00 2.72 0.04 -1.26 -4.73 135.00 129.90 1xf5 s PRO 217 Ca 0.21 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1xf5 s PRO 217 Cb -0.12 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1xf5 s PRO 217 CO 0.12 -3.20 0.00 2.89 0.04 0.00 0.00 177.00 176.85