#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm8 s GLN 2 N 0.00 4.23 -0.32 2.12 -0.21 -0.19 -4.92 119.66 120.38 1xm8 s GLN 2 Ca 0.00 0.35 -0.04 0.00 0.02 0.00 0.00 55.36 55.69 1xm8 s GLN 2 Cb 0.00 -3.39 0.04 0.00 1.00 0.00 0.00 33.01 30.66 1xm8 s GLN 2 CO 0.00 0.28 0.04 0.42 -2.12 0.00 0.00 175.29 173.92 1xm8 s ILE 3 N 0.25 3.33 -0.30 1.08 1.01 -1.26 -0.88 121.20 124.43 1xm8 s ILE 3 Ca 0.23 -1.26 -0.10 0.00 0.00 0.00 0.00 60.65 59.52 1xm8 s ILE 3 Cb -0.15 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 1xm8 s ILE 3 CO 0.09 -0.13 0.16 -0.70 0.00 0.00 0.00 174.94 174.36 1xm8 s GLU 4 N 1.32 3.46 0.03 2.79 2.12 0.04 -4.96 118.70 123.50 1xm8 s GLU 4 Ca -0.04 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.35 1xm8 s GLU 4 Cb -0.20 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.57 1xm8 s GLU 4 CO 0.01 -0.37 1.12 -1.17 -0.54 0.00 0.00 175.26 174.30 1xm8 s LEU 5 N 1.64 4.36 -0.29 2.70 0.20 -1.26 -0.55 118.68 125.48 1xm8 s LEU 5 Ca 0.05 1.87 0.03 0.00 0.69 0.00 0.00 54.13 56.77 1xm8 s LEU 5 Cb -0.17 -3.57 0.07 0.00 -0.43 0.00 0.00 46.19 42.09 1xm8 s LEU 5 CO 0.07 -0.40 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.00 1xm8 s VAL 6 N 1.10 2.27 0.16 1.68 1.01 0.59 -4.95 120.40 122.25 1xm8 s VAL 6 Ca 0.56 -1.88 -0.31 0.00 0.00 0.00 0.00 61.98 60.35 1xm8 s VAL 6 Cb -0.26 -2.46 -0.09 0.00 0.00 0.00 0.00 36.38 33.57 1xm8 s VAL 6 CO 0.28 -0.24 1.39 -2.84 0.00 0.00 0.00 175.10 173.69 1xm8 s PRO 7 N 1.04 4.32 0.10 2.72 0.02 -1.26 -1.33 135.00 140.61 1xm8 s PRO 7 Ca -0.02 2.12 0.06 0.00 0.02 0.00 0.00 61.00 63.18 1xm8 s PRO 7 Cb -0.20 -3.21 -0.03 0.00 0.02 0.00 0.00 34.50 31.08 1xm8 s PRO 7 CO -0.06 -0.40 -0.14 0.00 -0.33 0.00 0.00 177.00 176.07 1xm8 n LEU 9 N 0.84 0.00 -0.06 0.00 4.77 -1.26 -1.37 117.00 119.92 1xm8 n LEU 9 Ca -0.18 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.59 1xm8 n LEU 9 Cb 0.56 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.52 1xm8 n LEU 9 CO 0.25 0.00 -0.98 1.17 -1.33 0.00 0.00 177.39 176.50 1xm8 n LYS 10 N 14.00 0.69 -0.32 3.23 4.81 -1.26 -4.76 118.16 134.55 1xm8 n LYS 10 Ca 0.00 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1xm8 n LYS 10 Cb 0.00 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 33.41 1xm8 n LYS 10 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1xm8 n ASP 11 N -3.59 0.00 -4.82 3.14 5.68 -1.20 -5.03 116.55 110.74 1xm8 n ASP 11 Ca -0.38 -1.31 -0.33 0.00 -0.50 0.00 0.00 54.79 52.27 1xm8 n ASP 11 Cb 0.98 -0.06 -0.05 0.00 -1.14 0.00 0.00 41.12 40.84 1xm8 n ASP 11 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1xm8 s ASN 12 N -0.31 6.69 -0.15 -1.12 -0.87 -0.47 -0.55 114.94 118.16 1xm8 s ASN 12 Ca 0.00 1.75 0.01 0.00 -1.57 0.00 0.00 52.86 53.05 1xm8 s ASN 12 Cb 0.00 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.69 1xm8 s ASN 12 CO 0.00 -0.54 -0.18 -0.31 -2.57 0.00 0.00 177.10 173.50 1xm8 s TYR 13 N -2.18 2.73 0.23 2.20 2.02 -0.24 -1.18 117.35 120.91 1xm8 s TYR 13 Ca 0.63 -1.15 0.05 0.00 -0.37 0.00 0.00 57.07 56.23 1xm8 s TYR 13 Cb -0.11 -1.85 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 1xm8 s TYR 13 CO 0.18 -0.52 0.31 0.00 -1.57 0.00 0.00 175.55 173.94 1xm8 s ALA 14 N 0.79 3.85 -0.10 3.71 0.00 -0.45 -4.75 121.76 124.82 1xm8 s ALA 14 Ca -0.06 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.66 1xm8 s ALA 14 Cb -0.15 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 21.35 1xm8 s ALA 14 CO -0.00 0.30 -0.09 0.71 0.00 0.00 0.00 175.76 176.67 1xm8 s TYR 15 N -1.96 1.49 -0.23 0.00 2.02 -0.62 -0.30 117.35 117.74 1xm8 s TYR 15 Ca 0.34 -0.70 -0.17 0.00 -0.37 0.00 0.00 57.07 56.17 1xm8 s TYR 15 Cb -0.09 -1.20 -0.03 0.00 -0.40 0.00 0.00 41.96 40.24 1xm8 s TYR 15 CO 0.28 -0.45 0.44 0.42 -1.57 0.00 0.00 175.55 174.67 1xm8 s ILE 16 N 1.41 5.14 -0.20 2.71 1.01 0.28 -0.39 121.20 131.16 1xm8 s ILE 16 Ca -0.00 0.76 -0.07 0.00 0.00 0.00 0.00 60.65 61.34 1xm8 s ILE 16 Cb -0.13 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1xm8 s ILE 16 CO -0.05 0.17 0.06 -0.76 0.00 0.00 0.00 174.94 174.36 1xm8 s LEU 17 N 1.83 3.64 -0.22 2.97 1.43 0.10 -0.78 118.68 127.64 1xm8 s LEU 17 Ca 0.19 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1xm8 s LEU 17 Cb -0.15 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.17 1xm8 s LEU 17 CO 0.09 0.10 -0.14 -1.00 0.23 0.00 0.00 176.35 175.63 1xm8 s HIS 18 N 0.81 3.03 0.07 0.29 3.76 -0.05 -0.98 115.29 122.22 1xm8 s HIS 18 Ca 0.03 -1.93 -0.30 0.00 -0.15 0.00 0.00 55.06 52.71 1xm8 s HIS 18 Cb -0.14 -1.95 -0.05 0.00 1.11 0.00 0.00 32.58 31.56 1xm8 s HIS 18 CO 0.02 -0.83 0.99 0.34 -0.85 0.00 0.00 174.74 174.41 1xm8 s ASP 19 N 1.21 7.42 0.05 1.40 2.15 -0.53 -1.02 116.67 127.35 1xm8 s ASP 19 Ca -0.02 1.78 -0.14 0.00 0.43 0.00 0.00 52.55 54.60 1xm8 s ASP 19 Cb -0.17 -2.58 -0.32 0.00 -0.30 0.00 0.00 42.92 39.55 1xm8 s ASP 19 CO -0.08 -0.16 1.06 -0.33 -0.17 0.00 0.00 175.17 175.48 1xm8 h GLU 20 N 6.03 0.53 -0.58 4.34 3.07 -1.96 -0.25 114.58 125.76 1xm8 h GLU 20 Ca -0.42 -0.83 -0.08 0.00 -0.50 0.00 0.00 59.36 57.52 1xm8 h GLU 20 Cb 1.21 0.30 -0.02 0.00 -0.84 0.00 0.00 28.75 29.40 1xm8 h GLU 20 CO 0.73 1.39 0.05 -0.44 -1.40 0.00 0.00 179.01 179.35 1xm8 h ASP 21 N 0.18 0.96 0.00 1.42 5.19 -1.98 -3.34 116.42 118.85 1xm8 h ASP 21 Ca -0.22 -0.28 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1xm8 h ASP 21 Cb 2.07 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 41.32 1xm8 h ASP 21 CO 0.26 1.00 -0.71 0.35 -3.12 0.00 0.00 179.24 177.02 1xm8 n THR 22 N -4.28 0.00 -0.97 0.35 -2.24 -1.25 -4.99 114.28 100.90 1xm8 n THR 22 Ca 0.03 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1xm8 n THR 22 Cb 0.30 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 1xm8 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xm8 n GLY 23 N 1.47 0.39 3.72 3.38 0.00 -0.10 -4.97 105.19 109.09 1xm8 n GLY 23 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1xm8 n GLY 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xm8 n THR 24 N -2.54 1.28 -4.79 2.61 -1.04 -1.26 -4.84 114.28 103.70 1xm8 n THR 24 Ca 0.00 -0.32 -0.26 0.00 -2.04 0.00 0.00 64.05 61.43 1xm8 n THR 24 Cb 0.14 -1.78 -0.16 0.00 -1.82 0.00 0.00 70.33 66.71 1xm8 n THR 24 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1xm8 s VAL 25 N -0.33 1.38 0.26 12.58 1.01 -1.26 -1.45 120.40 132.59 1xm8 s VAL 25 Ca 0.62 -0.67 0.12 0.00 0.00 0.00 0.00 61.98 62.05 1xm8 s VAL 25 Cb -0.54 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 1xm8 s VAL 25 CO 0.53 0.40 -0.20 -0.83 0.00 0.00 0.00 175.10 175.00 1xm8 s GLY 26 N 0.20 1.82 -0.07 4.51 0.00 -0.15 -0.42 107.32 113.21 1xm8 s GLY 26 Ca -0.07 -1.82 0.02 0.00 0.00 0.00 0.00 44.72 42.85 1xm8 s GLY 26 CO 0.03 -1.90 -0.11 0.54 0.00 0.00 0.00 173.10 171.67 1xm8 s VAL 27 N -2.40 1.03 -0.22 1.40 0.11 -0.25 0.01 120.40 120.08 1xm8 s VAL 27 Ca 0.28 -0.41 -0.14 0.00 -2.93 0.00 0.00 61.98 58.78 1xm8 s VAL 27 Cb -0.05 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1xm8 s VAL 27 CO 0.13 0.34 0.32 -0.69 -3.33 0.00 0.00 175.10 171.87 1xm8 s VAL 28 N 0.78 5.25 -1.09 2.04 1.01 0.48 -0.51 120.40 128.35 1xm8 s VAL 28 Ca -0.13 0.54 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 1xm8 s VAL 28 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1xm8 s VAL 28 CO 0.02 0.28 0.87 0.47 0.00 0.00 0.00 175.10 176.74 1xm8 n ASP 29 N 4.44 -6.06 -4.56 3.32 8.00 0.06 -1.59 116.55 120.17 1xm8 n ASP 29 Ca -0.10 -0.84 -0.30 0.00 0.71 0.00 0.00 54.79 54.26 1xm8 n ASP 29 Cb 0.51 -4.45 -0.04 0.00 -0.02 0.00 0.00 41.12 37.11 1xm8 n ASP 29 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1xm8 s PRO 30 N -5.06 2.55 0.29 -0.24 0.04 -1.22 -4.21 135.00 127.15 1xm8 s PRO 30 Ca 0.46 -0.00 0.01 0.00 0.04 0.00 0.00 61.00 61.51 1xm8 s PRO 30 Cb -0.10 -4.86 0.53 0.00 0.04 0.00 0.00 34.50 30.11 1xm8 s PRO 30 CO 0.79 -3.21 1.86 0.77 0.04 0.00 0.00 177.00 177.25 1xm8 h SER 31 N 12.45 0.94 -4.75 6.66 0.02 -1.77 0.73 113.55 127.82 1xm8 h SER 31 Ca -0.01 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.81 1xm8 h SER 31 Cb 1.05 -0.16 -0.22 0.00 0.14 0.00 0.00 62.40 63.21 1xm8 h SER 31 CO 1.21 0.54 -0.55 -1.83 -1.14 0.00 0.00 176.83 175.07 1xm8 s GLU 32 N -5.95 0.39 0.20 3.45 -1.05 -1.26 -3.08 118.70 111.40 1xm8 s GLU 32 Ca -0.12 -0.33 -0.06 0.00 -0.15 0.00 0.00 54.97 54.31 1xm8 s GLU 32 Cb 0.21 0.16 0.15 0.00 -0.44 0.00 0.00 34.13 34.21 1xm8 s GLU 32 CO 0.81 -0.08 1.65 0.00 0.95 0.00 0.00 175.26 178.58 1xm8 h ALA 33 N 4.66 0.88 -0.17 -0.84 0.00 -1.83 -3.38 119.26 118.58 1xm8 h ALA 33 Ca -0.30 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.33 1xm8 h ALA 33 Cb 1.20 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1xm8 h ALA 33 CO 0.41 0.64 -0.17 0.93 0.00 0.00 0.00 179.25 181.06 1xm8 h GLU 34 N 0.82 -0.18 0.00 0.00 3.07 -1.98 0.16 114.58 116.47 1xm8 h GLU 34 Ca 0.13 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.97 1xm8 h GLU 34 Cb 0.63 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 1xm8 h GLU 34 CO 0.04 -0.12 -0.19 -1.35 -1.40 0.00 0.00 179.01 175.99 1xm8 h PRO 35 N -0.19 0.00 -0.06 2.33 0.11 -1.94 -1.40 132.00 130.85 1xm8 h PRO 35 Ca 0.11 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 1xm8 h PRO 35 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1xm8 h PRO 35 CO -0.28 0.19 -0.23 0.82 -0.21 0.00 0.00 178.00 178.29 1xm8 h ILE 36 N 0.00 1.44 -0.64 4.15 1.08 -1.27 -2.92 117.51 119.35 1xm8 h ILE 36 Ca -0.00 -1.65 0.08 0.00 -0.39 0.00 0.00 64.86 62.90 1xm8 h ILE 36 Cb 0.46 2.35 -0.06 0.00 -3.07 0.00 0.00 36.82 36.50 1xm8 h ILE 36 CO 0.02 0.46 0.31 0.40 -0.69 0.00 0.00 178.15 178.66 1xm8 h ILE 37 N -0.27 0.87 -0.40 -0.67 2.04 -0.68 -1.08 117.51 117.33 1xm8 h ILE 37 Ca -0.01 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.72 1xm8 h ILE 37 Cb 0.87 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1xm8 h ILE 37 CO 0.05 0.10 0.09 0.44 0.00 0.00 0.00 178.15 178.82 1xm8 h ASP 38 N 0.55 0.02 -0.69 1.72 3.45 -1.31 0.28 116.42 120.45 1xm8 h ASP 38 Ca 0.31 0.07 -0.04 0.00 0.43 0.00 0.00 57.03 57.79 1xm8 h ASP 38 Cb 0.29 0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.11 1xm8 h ASP 38 CO -0.24 0.05 0.26 -1.28 -1.57 0.00 0.00 179.24 176.46 1xm8 h SER 39 N 0.22 0.96 -0.38 6.45 0.87 -1.24 -2.83 113.55 117.60 1xm8 h SER 39 Ca 0.19 -0.18 -0.10 0.00 -1.23 0.00 0.00 61.79 60.47 1xm8 h SER 39 Cb 0.23 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1xm8 h SER 39 CO -0.25 0.88 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.72 1xm8 h LEU 40 N 0.99 0.83 -1.87 2.23 3.38 -0.79 -0.82 115.31 119.26 1xm8 h LEU 40 Ca 0.23 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1xm8 h LEU 40 Cb 0.23 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xm8 h LEU 40 CO -0.02 0.98 -0.11 0.11 0.09 0.00 0.00 178.44 179.50 1xm8 h LYS 41 N 0.75 0.00 0.03 1.13 1.79 -0.82 -1.32 116.57 118.13 1xm8 h LYS 41 Ca 0.12 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.31 1xm8 h LYS 41 Cb 0.64 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.26 1xm8 h LYS 41 CO 0.04 0.11 -1.57 -0.09 -1.08 0.00 0.00 179.45 176.86 1xm8 h ARG 42 N 0.00 0.06 0.00 3.15 1.12 -1.19 -3.18 114.38 114.35 1xm8 h ARG 42 Ca -0.00 -0.10 -0.03 0.00 -1.11 0.00 0.00 59.98 58.74 1xm8 h ARG 42 Cb 0.20 0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.20 1xm8 h ARG 42 CO 0.01 0.74 -0.15 0.77 -3.11 0.00 0.00 179.97 178.24 1xm8 h SER 43 N 0.02 0.00 -6.08 -3.80 0.02 -1.00 -3.47 113.55 99.23 1xm8 h SER 43 Ca -0.24 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.28 1xm8 h SER 43 Cb 1.97 0.00 0.05 0.00 0.14 0.00 0.00 62.40 64.56 1xm8 h SER 43 CO 0.10 0.15 -0.72 0.61 -1.14 0.00 0.00 176.83 175.83 1xm8 n GLY 44 N -0.59 -0.52 3.52 -3.77 0.00 -0.59 -5.02 105.19 98.22 1xm8 n GLY 44 Ca -0.02 0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1xm8 n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xm8 s ARG 45 N -6.47 1.87 0.35 1.61 0.52 -0.64 -5.05 118.95 111.14 1xm8 s ARG 45 Ca 0.62 -1.64 0.08 0.00 -0.52 0.00 0.00 55.73 54.27 1xm8 s ARG 45 Cb -0.29 -1.90 -0.03 0.00 0.52 0.00 0.00 34.95 33.24 1xm8 s ARG 45 CO 0.78 0.35 0.24 -0.80 0.02 0.00 0.00 175.30 175.89 1xm8 s ASN 46 N -3.50 4.99 -0.21 0.23 0.02 -1.26 -4.56 114.94 110.65 1xm8 s ASN 46 Ca 0.30 -0.66 -0.14 0.00 -1.02 0.00 0.00 52.86 51.34 1xm8 s ASN 46 Cb -0.06 -0.81 -0.04 0.00 0.02 0.00 0.00 41.25 40.36 1xm8 s ASN 46 CO 0.16 -0.38 0.32 -0.22 0.02 0.00 0.00 177.10 177.00 1xm8 s LEU 47 N -3.95 4.15 -0.18 0.60 2.96 -1.26 -4.42 118.68 116.58 1xm8 s LEU 47 Ca 0.41 0.39 -0.13 0.00 -0.22 0.00 0.00 54.13 54.58 1xm8 s LEU 47 Cb -0.04 -2.38 -0.22 0.00 0.50 0.00 0.00 46.19 44.06 1xm8 s LEU 47 CO 0.25 -0.02 0.21 0.41 -1.32 0.00 0.00 176.35 175.89 1xm8 n THR 48 N 4.25 1.64 -4.26 3.68 -1.04 0.44 -4.21 114.28 114.78 1xm8 n THR 48 Ca -0.11 -0.36 -0.17 0.00 -2.04 0.00 0.00 64.05 61.37 1xm8 n THR 48 Cb 0.51 -1.86 -0.14 0.00 -1.82 0.00 0.00 70.33 67.02 1xm8 n THR 48 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1xm8 s TYR 49 N -2.47 0.77 -0.14 -1.42 2.02 -0.89 -1.53 117.35 113.69 1xm8 s TYR 49 Ca -0.27 -0.23 -0.01 0.00 -0.37 0.00 0.00 57.07 56.19 1xm8 s TYR 49 Cb 0.07 -0.48 -0.02 0.00 -0.40 0.00 0.00 41.96 41.14 1xm8 s TYR 49 CO 0.66 -0.02 -0.12 0.42 -1.57 0.00 0.00 175.55 174.93 1xm8 s ILE 50 N -0.49 3.15 -0.06 2.71 1.01 -0.04 -1.09 121.20 126.39 1xm8 s ILE 50 Ca 0.01 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.08 1xm8 s ILE 50 Cb -0.05 -2.34 -0.00 0.00 0.01 0.00 0.00 42.46 40.08 1xm8 s ILE 50 CO 0.00 0.52 -0.19 -0.76 0.00 0.00 0.00 174.94 174.50 1xm8 s LEU 51 N 0.43 1.94 -0.11 2.97 1.02 0.33 -0.03 118.68 125.23 1xm8 s LEU 51 Ca -0.09 -0.42 0.03 0.00 0.02 0.00 0.00 54.13 53.67 1xm8 s LEU 51 Cb -0.16 -1.13 0.00 0.00 0.02 0.00 0.00 46.19 44.93 1xm8 s LEU 51 CO 0.05 0.15 -0.22 0.20 0.02 0.00 0.00 176.35 176.55 1xm8 s ASN 52 N 0.16 3.00 0.20 2.29 -0.87 -0.90 -0.76 114.94 118.06 1xm8 s ASN 52 Ca -0.09 -0.56 0.00 0.00 -1.57 0.00 0.00 52.86 50.65 1xm8 s ASN 52 Cb -0.14 -1.38 0.13 0.00 -0.02 0.00 0.00 41.25 39.84 1xm8 s ASN 52 CO 0.04 0.12 1.49 0.71 -2.57 0.00 0.00 177.10 176.90 1xm8 h THR 53 N 5.77 1.37 -2.87 1.60 1.35 -1.90 -3.41 112.91 114.82 1xm8 h THR 53 Ca -0.24 -2.02 0.03 0.00 -0.55 0.00 0.00 66.41 63.63 1xm8 h THR 53 Cb 1.22 2.01 -0.00 0.00 -1.73 0.00 0.00 68.15 69.64 1xm8 h THR 53 CO 0.50 0.61 0.37 -1.38 -0.25 0.00 0.00 175.52 175.36 1xm8 s HIS 54 N -3.74 0.12 -0.66 4.73 -3.43 -1.26 -0.82 115.29 110.23 1xm8 s HIS 54 Ca -0.05 -0.74 0.24 0.00 -0.80 0.00 0.00 55.06 53.71 1xm8 s HIS 54 Cb 0.11 0.81 0.41 0.00 -1.43 0.00 0.00 32.58 32.48 1xm8 s HIS 54 CO 0.83 -1.41 1.38 -2.39 -2.00 0.00 0.00 174.74 171.14 1xm8 n HIS 55 N -0.59 0.58 -1.64 0.38 -0.00 -1.26 -4.63 115.22 108.06 1xm8 n HIS 55 Ca -0.07 0.17 -0.38 0.00 -0.00 0.00 0.00 57.72 57.44 1xm8 n HIS 55 Cb 0.60 -0.68 0.05 0.00 -0.00 0.00 0.00 29.99 29.96 1xm8 n HIS 55 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1xm8 n HIS 56 N -2.11 1.09 -0.06 -1.40 8.25 -1.26 -4.58 115.22 115.16 1xm8 n HIS 56 Ca 0.04 0.45 0.08 0.00 -0.26 0.00 0.00 57.72 58.02 1xm8 n HIS 56 Cb 0.43 -2.18 0.45 0.00 1.12 0.00 0.00 29.99 29.82 1xm8 n HIS 56 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1xm8 h TYR 57 N 0.71 0.50 0.00 4.41 3.20 -1.95 0.18 116.97 124.02 1xm8 h TYR 57 Ca -0.48 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.40 1xm8 h TYR 57 Cb 1.35 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.46 1xm8 h TYR 57 CO 0.39 0.28 0.00 -0.40 -1.64 0.00 0.00 178.16 176.79 1xm8 n ASP 58 N -4.47 0.00 -0.00 -2.11 5.75 -1.26 -0.94 116.55 113.51 1xm8 n ASP 58 Ca 0.07 -0.30 0.01 0.00 -0.01 0.00 0.00 54.79 54.56 1xm8 n ASP 58 Cb 0.22 -0.14 -0.02 0.00 -1.03 0.00 0.00 41.12 40.15 1xm8 n ASP 58 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1xm8 n HIS 59 N -1.14 0.00 -0.36 2.11 8.25 0.56 -3.95 115.22 120.69 1xm8 n HIS 59 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1xm8 n HIS 59 Cb 0.11 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1xm8 n HIS 59 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1xm8 n THR 60 N -1.20 0.31 0.11 1.59 -2.24 -0.74 -3.42 114.28 108.69 1xm8 n THR 60 Ca 0.00 -0.48 0.03 0.00 -2.27 0.00 0.00 64.05 61.34 1xm8 n THR 60 Cb 0.05 1.03 0.41 0.00 -2.10 0.00 0.00 70.33 69.71 1xm8 n THR 60 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xm8 h GLY 61 N 0.00 0.30 1.28 3.38 0.00 -1.04 -1.74 103.07 105.25 1xm8 h GLY 61 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1xm8 h GLY 61 CO 0.00 0.15 -0.12 0.61 0.00 0.00 0.00 176.54 177.18 1xm8 n GLY 62 N -1.02 -1.17 0.42 4.60 0.00 0.24 -4.55 105.19 103.72 1xm8 n GLY 62 Ca -0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 1xm8 n GLY 62 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xm8 h ASN 63 N 0.26 -1.08 -0.47 1.61 4.21 -1.49 -1.64 115.58 116.99 1xm8 h ASN 63 Ca 0.00 0.08 -0.11 0.00 1.21 0.00 0.00 56.30 57.48 1xm8 h ASN 63 Cb 0.40 0.35 -0.02 0.00 -1.12 0.00 0.00 38.32 37.93 1xm8 h ASN 63 CO 0.00 -0.58 -0.13 -0.07 -1.29 0.00 0.00 177.43 175.37 1xm8 h LEU 64 N -0.87 0.95 -0.27 1.61 3.38 -1.80 0.13 115.31 118.45 1xm8 h LEU 64 Ca -0.05 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1xm8 h LEU 64 Cb 0.76 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1xm8 h LEU 64 CO -0.02 1.08 0.10 -0.08 0.09 0.00 0.00 178.44 179.61 1xm8 h GLU 65 N 0.84 0.40 -0.46 1.13 4.81 -1.83 -0.66 114.58 118.81 1xm8 h GLU 65 Ca 0.13 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 1xm8 h GLU 65 Cb 0.67 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1xm8 h GLU 65 CO 0.05 0.44 -0.19 -0.07 -0.73 0.00 0.00 179.01 178.50 1xm8 h LEU 66 N 0.28 0.94 -0.66 1.64 3.38 -1.01 -0.07 115.31 119.81 1xm8 h LEU 66 Ca 0.09 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1xm8 h LEU 66 Cb 0.19 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1xm8 h LEU 66 CO -0.01 1.10 0.30 0.50 0.09 0.00 0.00 178.44 180.42 1xm8 h LYS 67 N 0.80 0.96 -0.11 1.13 3.64 -0.59 -1.76 116.57 120.63 1xm8 h LYS 67 Ca 0.11 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1xm8 h LYS 67 Cb 0.75 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1xm8 h LYS 67 CO 0.06 0.78 -0.08 0.22 -2.27 0.00 0.00 179.45 178.16 1xm8 h ASP 68 N 0.91 0.27 -0.88 4.20 3.58 -0.94 0.71 116.42 124.28 1xm8 h ASP 68 Ca 0.22 -0.45 0.01 0.00 0.42 0.00 0.00 57.03 57.23 1xm8 h ASP 68 Cb 0.15 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.08 1xm8 h ASP 68 CO -0.02 0.66 0.58 -0.09 -2.88 0.00 0.00 179.24 177.49 1xm8 h ARG 69 N -0.13 1.16 -0.00 0.28 2.43 -0.93 -3.30 114.38 113.89 1xm8 h ARG 69 Ca 0.02 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1xm8 h ARG 69 Cb 0.57 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1xm8 h ARG 69 CO 0.02 0.77 -0.45 0.66 -1.51 0.00 0.00 179.97 179.46 1xm8 n TYR 70 N -4.47 0.00 -3.24 2.20 4.01 -0.67 -4.98 117.16 110.01 1xm8 n TYR 70 Ca 0.10 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.60 1xm8 n TYR 70 Cb 0.02 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.09 1xm8 n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xm8 n GLY 71 N 1.18 -0.53 3.83 2.72 0.00 0.23 -4.77 105.19 107.86 1xm8 n GLY 71 Ca 0.03 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1xm8 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm8 s ALA 72 N -3.20 2.91 -0.16 4.61 0.00 -1.17 -4.98 121.76 119.76 1xm8 s ALA 72 Ca 0.40 0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.45 1xm8 s ALA 72 Cb -0.18 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1xm8 s ALA 72 CO 0.50 -0.71 0.01 0.15 0.00 0.00 0.00 175.76 175.71 1xm8 s LYS 73 N -4.57 3.79 -0.18 0.00 -0.14 -0.58 -4.74 119.74 113.31 1xm8 s LYS 73 Ca 0.59 -0.43 -0.21 0.00 -1.36 0.00 0.00 55.97 54.56 1xm8 s LYS 73 Cb -0.13 -3.05 -0.03 0.00 -1.68 0.00 0.00 37.83 32.95 1xm8 s LYS 73 CO 0.44 0.28 0.62 0.08 -0.76 0.00 0.00 175.35 176.01 1xm8 s VAL 74 N 0.29 5.04 -0.22 3.17 1.01 -1.26 -0.86 120.40 127.56 1xm8 s VAL 74 Ca 0.00 1.17 -0.04 0.00 0.00 0.00 0.00 61.98 63.11 1xm8 s VAL 74 Cb -0.13 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1xm8 s VAL 74 CO 0.02 0.14 -0.04 -0.63 0.00 0.00 0.00 175.10 174.58 1xm8 s ILE 75 N 1.73 3.36 0.17 2.22 -1.09 0.96 -0.37 121.20 128.17 1xm8 s ILE 75 Ca 0.29 -0.52 -0.03 0.00 -2.23 0.00 0.00 60.65 58.16 1xm8 s ILE 75 Cb -0.16 -2.54 0.01 0.00 -1.58 0.00 0.00 42.46 38.19 1xm8 s ILE 75 CO 0.11 0.40 0.27 0.61 -1.23 0.00 0.00 174.94 175.10 1xm8 n GLY 76 N 4.79 2.31 3.74 6.18 0.00 -0.52 -2.13 105.19 119.57 1xm8 n GLY 76 Ca -0.18 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 1xm8 n GLY 76 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xm8 s SER 77 N -1.98 7.09 0.52 1.61 0.15 -1.26 0.19 113.70 120.02 1xm8 s SER 77 Ca 0.11 2.21 0.34 0.00 0.70 0.00 0.00 55.95 59.31 1xm8 s SER 77 Cb -0.01 -2.60 1.44 0.00 -1.71 0.00 0.00 66.02 63.14 1xm8 s SER 77 CO 0.08 -0.38 1.99 0.00 1.20 0.00 0.00 173.24 176.14 1xm8 h ALA 78 N 5.38 1.00 0.00 5.45 0.00 -1.13 -0.97 119.26 128.98 1xm8 h ALA 78 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xm8 h ALA 78 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xm8 h ALA 78 CO 0.75 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.67 1xm8 n MET 79 N -2.97 0.20 -1.15 0.00 2.81 -1.26 -3.89 117.12 110.86 1xm8 n MET 79 Ca 0.00 0.29 0.01 0.00 -1.81 0.00 0.00 57.70 56.19 1xm8 n MET 79 Cb 0.26 -1.80 0.13 0.00 -0.71 0.00 0.00 33.22 31.11 1xm8 n MET 79 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1xm8 n ASP 80 N -2.16 2.01 -0.06 7.83 8.00 -0.38 -4.84 116.55 126.94 1xm8 n ASP 80 Ca 0.04 -3.34 0.14 0.00 0.71 0.00 0.00 54.79 52.34 1xm8 n ASP 80 Cb 0.33 -0.45 0.54 0.00 -0.02 0.00 0.00 41.12 41.52 1xm8 n ASP 80 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1xm8 h LYS 81 N 1.27 0.31 0.00 -1.24 1.57 -1.64 -0.61 116.57 116.23 1xm8 h LYS 81 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1xm8 h LYS 81 Cb 1.30 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1xm8 h LYS 81 CO 0.15 0.21 -0.27 -0.25 -0.57 0.00 0.00 179.45 178.72 1xm8 n ASP 82 N -4.46 0.55 -0.17 0.86 8.00 -1.26 -4.14 116.55 115.93 1xm8 n ASP 82 Ca 0.10 0.29 0.04 0.00 0.71 0.00 0.00 54.79 55.94 1xm8 n ASP 82 Cb 0.42 -0.28 -0.01 0.00 -0.02 0.00 0.00 41.12 41.23 1xm8 n ASP 82 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xm8 n ARG 83 N -1.93 2.50 -3.39 -1.24 1.74 -0.27 -4.91 116.66 109.16 1xm8 n ARG 83 Ca 0.05 -0.47 -0.43 0.00 -0.77 0.00 0.00 57.85 56.23 1xm8 n ARG 83 Cb 0.40 -1.03 -0.09 0.00 -1.02 0.00 0.00 32.46 30.72 1xm8 n ARG 83 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xm8 s ILE 84 N -1.38 5.17 0.16 0.55 -1.09 -0.98 -4.79 121.20 118.85 1xm8 s ILE 84 Ca 0.07 -0.49 -0.31 0.00 -2.23 0.00 0.00 60.65 57.68 1xm8 s ILE 84 Cb 0.07 -3.98 -0.11 0.00 -1.58 0.00 0.00 42.46 36.86 1xm8 s ILE 84 CO 0.25 -0.36 1.72 -2.84 -1.23 0.00 0.00 174.94 172.48 1xm8 s PRO 85 N 1.91 4.15 0.00 2.79 0.02 -1.26 -2.45 135.00 140.17 1xm8 s PRO 85 Ca 0.09 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.64 1xm8 s PRO 85 Cb -0.18 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1xm8 s PRO 85 CO 0.12 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 1xm8 n GLY 86 N 4.02 0.54 3.63 0.52 0.00 -1.26 -4.71 105.19 107.93 1xm8 n GLY 86 Ca 0.16 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.69 1xm8 n GLY 86 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xm8 n ILE 87 N -2.72 0.00 -0.06 -0.61 3.06 -1.02 -4.38 119.36 113.63 1xm8 n ILE 87 Ca 0.00 -0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.18 1xm8 n ILE 87 Cb 0.04 -1.15 -0.09 0.00 0.54 0.00 0.00 39.64 38.98 1xm8 n ILE 87 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1xm8 n ASP 88 N 2.95 2.15 -3.80 9.51 8.00 0.50 -4.95 116.55 130.91 1xm8 n ASP 88 Ca 0.18 -0.01 -0.20 0.00 0.71 0.00 0.00 54.79 55.46 1xm8 n ASP 88 Cb 0.23 0.66 -0.17 0.00 -0.02 0.00 0.00 41.12 41.83 1xm8 n ASP 88 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1xm8 s MET 89 N -2.29 0.50 -0.23 -1.24 -1.94 -0.70 -5.00 119.30 108.40 1xm8 s MET 89 Ca -0.08 0.08 -0.05 0.00 -1.71 0.00 0.00 55.69 53.93 1xm8 s MET 89 Cb 0.04 -0.76 -0.02 0.00 2.01 0.00 0.00 34.83 36.10 1xm8 s MET 89 CO 0.47 -0.21 0.00 0.00 -0.01 0.00 0.00 175.02 175.27 1xm8 s ALA 90 N 1.49 2.97 -0.04 3.03 0.00 -1.26 -1.44 121.76 126.52 1xm8 s ALA 90 Ca -0.03 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1xm8 s ALA 90 Cb -0.13 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 1xm8 s ALA 90 CO -0.03 -0.40 -0.09 -0.51 0.00 0.00 0.00 175.76 174.73 1xm8 s LEU 91 N 1.43 3.03 0.24 0.00 1.43 0.13 -4.54 118.68 120.40 1xm8 s LEU 91 Ca 0.05 -0.11 0.06 0.00 -1.03 0.00 0.00 54.13 53.10 1xm8 s LEU 91 Cb -0.15 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1xm8 s LEU 91 CO 0.00 0.33 0.22 -0.54 0.23 0.00 0.00 176.35 176.59 1xm8 s LYS 92 N -0.96 3.02 0.06 1.70 1.02 -1.26 -0.67 119.74 122.64 1xm8 s LYS 92 Ca 0.13 -0.97 -0.36 0.00 0.02 0.00 0.00 55.97 54.79 1xm8 s LYS 92 Cb -0.11 -2.64 -0.16 0.00 -0.52 0.00 0.00 37.83 34.40 1xm8 s LYS 92 CO 0.03 0.42 1.44 -3.47 -0.92 0.00 0.00 175.35 172.85 1xm8 n ASP 93 N -1.10 2.04 0.00 2.83 2.03 -1.26 -1.01 116.55 120.08 1xm8 n ASP 93 Ca -0.08 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.33 1xm8 n ASP 93 Cb 0.57 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.74 1xm8 n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xm8 n GLY 94 N 2.91 0.85 3.74 0.27 0.00 0.96 -4.97 105.19 108.94 1xm8 n GLY 94 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1xm8 n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xm8 s ASP 95 N -2.83 4.74 -0.13 1.61 1.01 -0.18 -4.73 116.67 116.16 1xm8 s ASP 95 Ca 0.00 2.60 -0.06 0.00 0.71 0.00 0.00 52.55 55.80 1xm8 s ASP 95 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1xm8 s ASP 95 CO 0.00 -1.91 0.08 -0.75 0.21 0.00 0.00 175.17 172.80 1xm8 s LYS 96 N -3.34 3.45 -0.02 8.23 2.20 -1.26 -1.21 119.74 127.79 1xm8 s LYS 96 Ca 0.81 -0.26 0.02 0.00 -0.36 0.00 0.00 55.97 56.18 1xm8 s LYS 96 Cb -0.37 -3.09 0.01 0.00 -1.51 0.00 0.00 37.83 32.87 1xm8 s LYS 96 CO 0.39 0.63 -0.06 -0.46 -0.36 0.00 0.00 175.35 175.49 1xm8 s TRP 97 N -0.64 0.67 -0.28 4.03 -0.00 0.05 -4.97 118.94 117.81 1xm8 s TRP 97 Ca 0.12 -0.15 -0.15 0.00 -0.00 0.00 0.00 56.10 55.92 1xm8 s TRP 97 Cb -0.12 -0.51 -0.03 0.00 -0.00 0.00 0.00 33.47 32.81 1xm8 s TRP 97 CO 0.02 -0.09 0.38 -1.64 -0.00 0.00 0.00 176.95 175.62 1xm8 s MET 98 N 0.30 3.95 -0.68 5.86 -1.94 -1.26 -0.20 119.30 125.34 1xm8 s MET 98 Ca -0.04 -0.02 -0.17 0.00 -1.71 0.00 0.00 55.69 53.75 1xm8 s MET 98 Cb -0.08 -3.68 0.14 0.00 2.01 0.00 0.00 34.83 33.22 1xm8 s MET 98 CO -0.00 -0.32 0.73 0.12 -0.01 0.00 0.00 175.02 175.54 1xm8 s PHE 99 N 2.08 3.24 -1.41 -0.03 5.36 -0.11 -4.48 117.98 122.63 1xm8 s PHE 99 Ca 0.15 -1.32 -0.02 0.00 -0.96 0.00 0.00 56.93 54.78 1xm8 s PHE 99 Cb -0.16 -3.96 0.00 0.00 -0.34 0.00 0.00 43.02 38.56 1xm8 s PHE 99 CO 0.10 -1.19 0.37 0.00 -1.46 0.00 0.00 175.22 173.04 1xm8 n ALA 100 N 5.59 -2.05 -0.98 11.12 0.00 -1.26 -1.21 120.51 131.72 1xm8 n ALA 100 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1xm8 n ALA 100 Cb 0.44 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1xm8 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xm8 n GLY 101 N -2.07 0.67 3.59 0.00 0.00 -1.26 -5.01 105.19 101.11 1xm8 n GLY 101 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1xm8 n GLY 101 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xm8 s HIS 102 N -2.79 3.08 0.10 1.61 3.76 -0.35 -5.07 115.29 115.62 1xm8 s HIS 102 Ca 0.00 -0.04 -0.30 0.00 -0.15 0.00 0.00 55.06 54.57 1xm8 s HIS 102 Cb 0.00 -1.87 -0.06 0.00 1.11 0.00 0.00 32.58 31.76 1xm8 s HIS 102 CO 0.00 0.22 1.14 -1.21 -0.85 0.00 0.00 174.74 174.05 1xm8 s GLU 103 N -0.27 4.50 -0.13 1.40 2.02 -1.26 -0.93 118.70 124.02 1xm8 s GLU 103 Ca 0.05 1.72 0.01 0.00 0.02 0.00 0.00 54.97 56.77 1xm8 s GLU 103 Cb -0.12 -3.33 -0.01 0.00 0.10 0.00 0.00 34.13 30.77 1xm8 s GLU 103 CO 0.02 -0.12 -0.16 0.08 0.02 0.00 0.00 175.26 175.11 1xm8 s VAL 104 N 0.58 2.76 -0.26 2.63 1.01 0.73 -4.06 120.40 123.78 1xm8 s VAL 104 Ca 0.55 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 1xm8 s VAL 104 Cb -0.29 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1xm8 s VAL 104 CO 0.31 0.53 0.10 -1.00 0.00 0.00 0.00 175.10 175.04 1xm8 s HIS 105 N 0.51 3.12 -0.03 5.22 3.76 0.79 -0.77 115.29 127.89 1xm8 s HIS 105 Ca -0.10 -0.38 -0.25 0.00 -0.15 0.00 0.00 55.06 54.17 1xm8 s HIS 105 Cb -0.16 -2.27 -0.04 0.00 1.11 0.00 0.00 32.58 31.22 1xm8 s HIS 105 CO 0.04 -0.35 0.79 0.08 -0.85 0.00 0.00 174.74 174.45 1xm8 s VAL 106 N 1.63 4.94 -0.15 -0.90 1.01 -0.35 -1.14 120.40 125.44 1xm8 s VAL 106 Ca 0.06 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1xm8 s VAL 106 Cb -0.16 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.12 1xm8 s VAL 106 CO 0.05 0.25 -0.11 -0.04 0.00 0.00 0.00 175.10 175.24 1xm8 s MET 107 N 0.70 2.00 0.08 2.72 -1.94 -0.41 -0.03 119.30 122.42 1xm8 s MET 107 Ca 0.42 -0.52 -0.31 0.00 -1.71 0.00 0.00 55.69 53.56 1xm8 s MET 107 Cb -0.19 -2.02 -0.09 0.00 2.01 0.00 0.00 34.83 34.54 1xm8 s MET 107 CO 0.22 -0.29 1.69 0.34 -0.01 0.00 0.00 175.02 176.96 1xm8 s ASP 108 N 1.54 6.57 -0.42 3.03 2.15 -1.26 -0.85 116.67 127.43 1xm8 s ASP 108 Ca 0.04 2.53 0.09 0.00 0.43 0.00 0.00 52.55 55.64 1xm8 s ASP 108 Cb -0.13 -2.56 0.30 0.00 -0.30 0.00 0.00 42.92 40.22 1xm8 s ASP 108 CO -0.09 -0.91 0.66 0.35 -0.17 0.00 0.00 175.17 175.01 1xm8 n THR 109 N 4.75 0.07 -1.31 1.71 -2.24 -0.11 -4.88 114.28 112.25 1xm8 n THR 109 Ca 0.16 -4.48 -0.33 0.00 -2.27 0.00 0.00 64.05 57.13 1xm8 n THR 109 Cb 0.40 -1.18 0.10 0.00 -2.10 0.00 0.00 70.33 67.55 1xm8 n THR 109 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1xm8 s PRO 110 N -2.01 2.03 0.00 -0.78 0.04 -1.24 -4.57 135.00 128.46 1xm8 s PRO 110 Ca 0.39 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1xm8 s PRO 110 Cb 0.26 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.96 1xm8 s PRO 110 CO -0.09 -1.88 0.00 0.41 0.04 0.00 0.00 177.00 175.48 1xm8 n GLY 111 N 0.02 0.37 0.06 0.56 0.00 -1.26 -3.56 105.19 101.38 1xm8 n GLY 111 Ca 0.12 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 1xm8 n GLY 111 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1xm8 h HIS 112 N 0.00 -0.04 -3.29 1.61 -0.00 -1.83 0.08 115.15 111.69 1xm8 h HIS 112 Ca 0.00 -0.00 -0.41 0.00 -0.00 0.00 0.00 60.37 59.96 1xm8 h HIS 112 Cb 0.00 0.01 -0.16 0.00 -0.00 0.00 0.00 27.41 27.26 1xm8 h HIS 112 CO 0.00 0.10 -0.74 0.95 -0.00 0.00 0.00 177.93 178.24 1xm8 s THR 113 N -5.65 1.44 -0.32 6.26 -4.23 -1.26 -1.83 115.64 110.04 1xm8 s THR 113 Ca -0.14 -1.98 -0.24 0.00 -1.18 0.00 0.00 61.69 58.15 1xm8 s THR 113 Cb 0.05 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.09 1xm8 s THR 113 CO 0.66 -0.56 0.80 -0.75 -0.54 0.00 0.00 174.62 174.23 1xm8 s LYS 114 N -3.29 3.91 0.00 3.99 2.47 -1.26 -3.70 119.74 121.86 1xm8 s LYS 114 Ca 0.16 0.53 0.00 0.00 -1.56 0.00 0.00 55.97 55.10 1xm8 s LYS 114 Cb -0.01 -3.75 0.00 0.00 -1.46 0.00 0.00 37.83 32.60 1xm8 s LYS 114 CO 0.04 -0.74 0.00 0.41 0.16 0.00 0.00 175.35 175.22 1xm8 n GLY 115 N 4.28 1.73 3.70 5.54 0.00 -1.26 -4.88 105.19 114.30 1xm8 n GLY 115 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1xm8 n GLY 115 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xm8 n HIS 116 N -0.27 2.42 -4.44 1.61 -0.00 -1.24 -4.72 115.22 108.59 1xm8 n HIS 116 Ca 0.00 0.39 -0.22 0.00 -0.00 0.00 0.00 57.72 57.89 1xm8 n HIS 116 Cb 0.00 -2.50 -0.10 0.00 -0.00 0.00 0.00 29.99 27.39 1xm8 n HIS 116 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 1xm8 s ILE 117 N -0.20 2.20 0.13 3.57 -4.36 -0.00 -0.94 121.20 121.60 1xm8 s ILE 117 Ca 0.65 -2.32 0.09 0.00 -0.26 0.00 0.00 60.65 58.80 1xm8 s ILE 117 Cb -0.58 -2.26 -0.04 0.00 1.25 0.00 0.00 42.46 40.83 1xm8 s ILE 117 CO 0.51 -0.44 -0.21 -0.44 0.24 0.00 0.00 174.94 174.60 1xm8 s SER 118 N -3.46 2.71 -0.26 4.36 0.01 -0.03 -4.62 113.70 112.41 1xm8 s SER 118 Ca 0.28 -0.75 0.02 0.00 1.31 0.00 0.00 55.95 56.81 1xm8 s SER 118 Cb -0.03 -0.16 0.06 0.00 0.21 0.00 0.00 66.02 66.11 1xm8 s SER 118 CO 0.13 0.05 -0.07 -0.76 0.41 0.00 0.00 173.24 172.99 1xm8 s LEU 119 N -2.15 3.18 -0.22 2.44 1.43 -0.44 -1.28 118.68 121.64 1xm8 s LEU 119 Ca 0.10 -1.37 -0.09 0.00 -1.03 0.00 0.00 54.13 51.75 1xm8 s LEU 119 Cb -0.09 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1xm8 s LEU 119 CO 0.05 -0.22 0.10 -0.47 0.23 0.00 0.00 176.35 176.04 1xm8 s TYR 120 N 1.21 3.24 -0.71 0.29 5.04 -0.29 -1.13 117.35 125.00 1xm8 s TYR 120 Ca -0.06 0.05 -0.02 0.00 -2.44 0.00 0.00 57.07 54.59 1xm8 s TYR 120 Cb -0.19 -2.19 0.18 0.00 0.35 0.00 0.00 41.96 40.11 1xm8 s TYR 120 CO -0.06 0.02 0.54 -0.06 -1.34 0.00 0.00 175.55 174.65 1xm8 s PHE 121 N 0.89 3.54 0.32 4.97 0.08 0.72 -0.15 117.98 128.36 1xm8 s PHE 121 Ca 0.05 -2.85 0.00 0.00 0.12 0.00 0.00 56.93 54.26 1xm8 s PHE 121 Cb -0.13 -3.18 0.53 0.00 -0.57 0.00 0.00 43.02 39.67 1xm8 s PHE 121 CO 0.03 -0.79 1.96 -1.00 -0.10 0.00 0.00 175.22 175.32 1xm8 h PRO 122 N 6.63 0.90 -0.05 0.24 0.13 -1.80 -0.57 132.00 137.48 1xm8 h PRO 122 Ca 0.04 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1xm8 h PRO 122 Cb 0.90 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 1xm8 h PRO 122 CO 0.75 0.64 0.07 0.78 -0.23 0.00 0.00 178.00 180.01 1xm8 h GLY 123 N 0.95 0.00 -1.11 1.56 0.00 -1.93 -1.94 103.07 100.60 1xm8 h GLY 123 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1xm8 h GLY 123 CO -0.04 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.94 1xm8 n SER 124 N -3.65 2.26 -3.90 0.19 7.64 -0.32 -4.98 113.62 110.85 1xm8 n SER 124 Ca -0.02 -1.62 -0.27 0.00 1.01 0.00 0.00 58.87 57.97 1xm8 n SER 124 Cb 0.16 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.30 1xm8 n SER 124 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xm8 n ARG 125 N 0.71 -2.94 -3.85 1.43 1.74 -0.59 -4.86 116.66 108.28 1xm8 n ARG 125 Ca 0.09 0.41 -0.12 0.00 -0.77 0.00 0.00 57.85 57.46 1xm8 n ARG 125 Cb 0.34 -4.43 -0.13 0.00 -1.02 0.00 0.00 32.46 27.22 1xm8 n ARG 125 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xm8 s ALA 126 N -3.86 -0.15 -0.02 7.54 0.00 -1.02 -1.07 121.76 123.18 1xm8 s ALA 126 Ca 0.09 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.22 1xm8 s ALA 126 Cb -0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 1xm8 s ALA 126 CO 0.88 -0.04 -0.11 -1.50 0.00 0.00 0.00 175.76 174.99 1xm8 s ILE 127 N -0.06 0.94 -0.37 0.00 2.07 0.55 -0.20 121.20 124.12 1xm8 s ILE 127 Ca -0.01 -0.47 -0.14 0.00 -1.41 0.00 0.00 60.65 58.61 1xm8 s ILE 127 Cb -0.01 -0.81 0.00 0.00 0.13 0.00 0.00 42.46 41.77 1xm8 s ILE 127 CO 0.00 0.28 0.29 -0.36 -1.91 0.00 0.00 174.94 173.23 1xm8 s PHE 128 N -0.03 3.23 -2.18 3.50 0.08 -0.29 -0.91 117.98 121.37 1xm8 s PHE 128 Ca 0.00 -0.37 0.18 0.00 0.12 0.00 0.00 56.93 56.86 1xm8 s PHE 128 Cb -0.07 -2.56 0.12 0.00 -0.57 0.00 0.00 43.02 39.94 1xm8 s PHE 128 CO 0.00 -0.48 1.05 0.25 -0.10 0.00 0.00 175.22 175.94 1xm8 n THR 129 N 5.16 0.00 0.00 0.64 -2.24 -0.75 -1.33 114.28 115.76 1xm8 n THR 129 Ca -0.11 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1xm8 n THR 129 Cb 0.48 1.35 0.00 0.00 -2.10 0.00 0.00 70.33 70.07 1xm8 n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xm8 n GLY 130 N 1.06 3.27 1.38 3.38 0.00 -1.26 -1.06 105.19 111.97 1xm8 n GLY 130 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 1xm8 n GLY 130 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xm8 n ASP 131 N 4.02 3.88 -0.05 1.61 9.92 -1.26 0.43 116.55 135.11 1xm8 n ASP 131 Ca 0.00 -3.29 -0.01 0.00 -0.53 0.00 0.00 54.79 50.96 1xm8 n ASP 131 Cb 0.00 -0.65 -0.01 0.00 -0.64 0.00 0.00 41.12 39.83 1xm8 n ASP 131 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1xm8 h THR 132 N 1.90 0.08 -3.27 -3.53 2.02 -1.44 -1.83 112.91 106.84 1xm8 h THR 132 Ca 0.16 -1.06 -0.64 0.00 0.77 0.00 0.00 66.41 65.64 1xm8 h THR 132 Cb 1.85 0.15 -0.34 0.00 -1.74 0.00 0.00 68.15 68.07 1xm8 h THR 132 CO 0.47 0.03 -0.86 -0.32 0.37 0.00 0.00 175.52 175.21 1xm8 s MET 133 N -1.59 2.72 0.56 6.66 -2.45 -1.24 -1.85 119.30 122.10 1xm8 s MET 133 Ca -0.01 -0.75 0.09 0.00 -1.25 0.00 0.00 55.69 53.77 1xm8 s MET 133 Cb -0.00 -2.18 0.08 0.00 1.25 0.00 0.00 34.83 33.98 1xm8 s MET 133 CO 0.03 0.03 0.73 -0.06 1.05 0.00 0.00 175.02 176.81 1xm8 s PHE 134 N 0.72 1.53 -0.27 4.11 0.08 -0.40 -4.66 117.98 119.09 1xm8 s PHE 134 Ca -0.11 -0.72 -0.29 0.00 0.12 0.00 0.00 56.93 55.94 1xm8 s PHE 134 Cb -0.16 -2.19 0.00 0.00 -0.57 0.00 0.00 43.02 40.11 1xm8 s PHE 134 CO 0.02 -1.02 1.21 0.45 -0.10 0.00 0.00 175.22 175.78 1xm8 s SER 135 N -4.60 6.84 -0.42 1.36 0.15 -1.26 -3.42 113.70 112.35 1xm8 s SER 135 Ca 0.58 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.53 1xm8 s SER 135 Cb -0.06 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1xm8 s SER 135 CO 0.37 -0.92 0.00 0.18 1.20 0.00 0.00 173.24 174.07 1xm8 n LEU 136 N 7.08 -0.09 0.00 3.45 4.77 -1.26 -4.33 117.00 126.62 1xm8 n LEU 136 Ca 0.14 0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 56.17 1xm8 n LEU 136 Cb 0.46 -1.36 -0.00 0.00 -2.33 0.00 0.00 43.42 40.19 1xm8 n LEU 136 CO 0.59 -0.41 0.13 -0.24 -1.33 0.00 0.00 177.39 176.13 1xm8 n SER 137 N 0.12 -0.69 -4.26 -1.43 2.88 -1.22 -4.46 113.62 104.55 1xm8 n SER 137 Ca -0.04 -1.69 -0.14 0.00 -1.33 0.00 0.00 58.87 55.67 1xm8 n SER 137 Cb 0.23 1.21 -0.10 0.00 -0.75 0.00 0.00 64.21 64.80 1xm8 n SER 137 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xm8 s GLY 139 N -3.21 2.88 0.63 0.00 0.00 -0.69 -4.82 107.32 102.10 1xm8 s GLY 139 Ca 0.29 1.29 -0.19 0.00 0.00 0.00 0.00 44.72 46.11 1xm8 s GLY 139 CO 0.07 1.76 1.29 0.54 0.00 0.00 0.00 173.10 176.76 1xm8 s LYS 140 N -3.16 2.69 -1.23 2.90 1.02 -1.26 -4.74 119.74 115.96 1xm8 s LYS 140 Ca 0.78 2.04 -0.11 0.00 0.02 0.00 0.00 55.97 58.70 1xm8 s LYS 140 Cb -0.39 -1.90 0.19 0.00 -0.52 0.00 0.00 37.83 35.20 1xm8 s LYS 140 CO 0.44 -1.48 1.61 1.28 -0.92 0.00 0.00 175.35 176.27 1xm8 n LEU 141 N -1.75 5.92 0.02 3.17 4.77 -1.26 -4.08 117.00 123.80 1xm8 n LEU 141 Ca 0.15 -4.62 -0.15 0.00 -0.03 0.00 0.00 56.01 51.35 1xm8 n LEU 141 Cb 0.48 -1.53 -0.05 0.00 -2.33 0.00 0.00 43.42 39.99 1xm8 n LEU 141 CO 0.47 1.10 0.23 -0.26 -1.33 0.00 0.00 177.39 177.61 1xm8 h PHE 142 N 6.40 0.87 0.00 -1.77 0.04 -1.56 -3.38 116.94 117.53 1xm8 h PHE 142 Ca 0.33 -0.42 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 1xm8 h PHE 142 Cb 0.75 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.78 1xm8 h PHE 142 CO 1.14 1.23 -1.12 0.39 -0.60 0.00 0.00 178.31 179.34 1xm8 n GLU 143 N -3.86 1.54 -3.26 1.51 1.02 -0.76 -5.02 120.64 111.81 1xm8 n GLU 143 Ca -0.07 -0.01 -0.20 0.00 -0.02 0.00 0.00 57.16 56.86 1xm8 n GLU 143 Cb 0.78 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 31.15 1xm8 n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xm8 n GLY 144 N 2.57 2.82 3.85 0.62 0.00 0.02 -4.70 105.19 110.37 1xm8 n GLY 144 Ca -0.02 -2.27 -0.21 0.00 0.00 0.00 0.00 46.02 43.52 1xm8 n GLY 144 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xm8 s THR 145 N -2.06 4.09 0.30 2.61 -4.23 -1.26 -4.87 115.64 110.22 1xm8 s THR 145 Ca 0.23 -1.36 0.04 0.00 -1.18 0.00 0.00 61.69 59.42 1xm8 s THR 145 Cb -0.02 -3.33 0.30 0.00 1.34 0.00 0.00 72.50 70.79 1xm8 s THR 145 CO 0.15 -0.27 1.83 -0.65 -0.54 0.00 0.00 174.62 175.14 1xm8 h PRO 146 N 1.36 0.86 -0.85 3.99 0.11 -1.94 -0.84 132.00 134.68 1xm8 h PRO 146 Ca -0.47 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1xm8 h PRO 146 Cb 1.25 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 1xm8 h PRO 146 CO 0.59 0.57 0.45 -0.22 -0.21 0.00 0.00 178.00 179.18 1xm8 h LYS 147 N 0.89 1.20 -0.18 1.05 3.64 -1.96 -0.02 116.57 121.20 1xm8 h LYS 147 Ca 0.50 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 1xm8 h LYS 147 Cb 0.62 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1xm8 h LYS 147 CO -0.28 0.90 0.03 1.96 -2.27 0.00 0.00 179.45 179.79 1xm8 h GLN 148 N 1.20 0.30 -0.45 1.90 4.20 -1.72 -0.79 115.11 119.74 1xm8 h GLN 148 Ca 0.30 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1xm8 h GLN 148 Cb 0.06 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1xm8 h GLN 148 CO -0.04 0.47 0.25 1.98 -0.67 0.00 0.00 178.83 180.81 1xm8 h MET 149 N 0.08 0.63 -0.26 1.46 4.05 -0.87 -0.41 114.93 119.62 1xm8 h MET 149 Ca 0.05 -0.07 0.05 0.00 -0.28 0.00 0.00 59.70 59.45 1xm8 h MET 149 Cb 0.32 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.95 1xm8 h MET 149 CO 0.00 0.50 -0.01 1.25 0.23 0.00 0.00 176.91 178.88 1xm8 h LEU 150 N 0.59 -0.13 -0.93 3.39 5.85 -0.89 0.84 115.31 124.04 1xm8 h LEU 150 Ca 0.16 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1xm8 h LEU 150 Cb 0.05 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1xm8 h LEU 150 CO -0.03 -0.03 0.62 0.00 -0.34 0.00 0.00 178.44 178.66 1xm8 h ALA 151 N 1.23 1.19 -0.36 1.25 0.00 -0.79 -1.61 119.26 120.18 1xm8 h ALA 151 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1xm8 h ALA 151 Cb 0.16 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1xm8 h ALA 151 CO -0.22 0.57 0.13 0.77 0.00 0.00 0.00 179.25 180.50 1xm8 h SER 152 N 1.26 0.50 -0.87 0.00 0.02 -0.46 -1.38 113.55 112.61 1xm8 h SER 152 Ca 0.35 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1xm8 h SER 152 Cb -0.13 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 1xm8 h SER 152 CO -0.08 0.54 0.45 -0.07 -1.14 0.00 0.00 176.83 176.53 1xm8 h LEU 153 N 0.43 1.12 -0.77 5.07 3.38 -0.60 -2.24 115.31 121.70 1xm8 h LEU 153 Ca 0.12 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1xm8 h LEU 153 Cb 0.21 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1xm8 h LEU 153 CO -0.01 0.92 0.36 1.56 0.09 0.00 0.00 178.44 181.36 1xm8 h GLN 154 N 1.23 1.12 -0.17 1.13 4.20 -1.17 -0.35 115.11 121.10 1xm8 h GLN 154 Ca 0.30 -0.17 0.05 0.00 0.06 0.00 0.00 58.65 58.89 1xm8 h GLN 154 Cb 0.07 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 27.61 1xm8 h GLN 154 CO -0.04 0.88 -0.13 0.87 -0.67 0.00 0.00 178.83 179.73 1xm8 h LYS 155 N 1.09 -0.13 -0.58 1.46 1.57 -0.94 -0.31 116.57 118.73 1xm8 h LYS 155 Ca 0.26 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1xm8 h LYS 155 Cb 0.14 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1xm8 h LYS 155 CO -0.03 -0.09 0.33 0.82 -0.57 0.00 0.00 179.45 179.91 1xm8 h ILE 156 N -0.14 1.18 -0.00 1.86 2.04 -1.02 -2.81 117.51 118.62 1xm8 h ILE 156 Ca 0.10 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1xm8 h ILE 156 Cb 0.29 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1xm8 h ILE 156 CO -0.26 0.19 -0.02 0.35 0.00 0.00 0.00 178.15 178.42 1xm8 n THR 157 N -4.61 0.00 0.59 -0.27 -2.24 -0.18 -2.17 114.28 105.40 1xm8 n THR 157 Ca 0.04 -0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 1xm8 n THR 157 Cb 0.07 -0.45 0.45 0.00 -2.10 0.00 0.00 70.33 68.29 1xm8 n THR 157 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xm8 n SER 158 N -1.28 0.66 -4.77 3.42 3.41 -0.15 -4.82 113.62 110.09 1xm8 n SER 158 Ca 0.14 0.59 -0.30 0.00 -0.26 0.00 0.00 58.87 59.04 1xm8 n SER 158 Cb 0.25 -0.76 0.11 0.00 -0.26 0.00 0.00 64.21 63.55 1xm8 n SER 158 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xm8 s LEU 159 N -4.30 2.53 0.52 1.04 1.43 -0.92 -4.98 118.68 114.00 1xm8 s LEU 159 Ca 0.09 1.45 -0.22 0.00 -1.03 0.00 0.00 54.13 54.42 1xm8 s LEU 159 Cb 0.12 -4.00 -0.07 0.00 0.03 0.00 0.00 46.19 42.27 1xm8 s LEU 159 CO 0.52 -2.22 1.19 -2.65 0.23 0.00 0.00 176.35 173.42 1xm8 n PRO 160 N -3.61 1.49 0.07 1.29 -0.02 -1.26 -4.86 135.00 128.10 1xm8 n PRO 160 Ca 0.07 0.55 0.17 0.00 -2.02 0.00 0.00 63.50 62.27 1xm8 n PRO 160 Cb 0.55 -2.36 0.69 0.00 -0.02 0.00 0.00 33.50 32.36 1xm8 n PRO 160 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xm8 h ASP 161 N 1.33 0.00 -0.22 2.55 5.19 -1.93 -0.78 116.42 122.56 1xm8 h ASP 161 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1xm8 h ASP 161 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1xm8 h ASP 161 CO 0.56 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.78 1xm8 n ASP 162 N -4.38 1.23 -4.70 6.45 5.75 -1.26 -1.25 116.55 118.40 1xm8 n ASP 162 Ca 0.06 -2.01 -0.42 0.00 -0.01 0.00 0.00 54.79 52.41 1xm8 n ASP 162 Cb 0.48 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.38 1xm8 n ASP 162 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1xm8 s THR 163 N -1.70 4.02 0.20 2.12 2.01 -0.30 -4.90 115.64 117.10 1xm8 s THR 163 Ca 0.15 1.40 -0.30 0.00 0.31 0.00 0.00 61.69 63.25 1xm8 s THR 163 Cb 0.08 -3.90 -0.08 0.00 0.01 0.00 0.00 72.50 68.61 1xm8 s THR 163 CO 0.10 0.04 1.18 -0.44 -0.69 0.00 0.00 174.62 174.81 1xm8 s SER 164 N 1.43 7.12 -0.25 3.53 0.01 -0.23 -1.64 113.70 123.66 1xm8 s SER 164 Ca 0.59 2.24 -0.05 0.00 1.31 0.00 0.00 55.95 60.03 1xm8 s SER 164 Cb -0.28 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.33 1xm8 s SER 164 CO 0.26 -0.34 0.02 -0.63 0.41 0.00 0.00 173.24 172.96 1xm8 s ILE 165 N -0.23 3.73 -0.36 1.44 1.01 0.44 -0.33 121.20 126.89 1xm8 s ILE 165 Ca 0.51 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 1xm8 s ILE 165 Cb -0.32 -2.80 0.07 0.00 0.01 0.00 0.00 42.46 39.42 1xm8 s ILE 165 CO 0.37 0.28 0.13 -0.31 0.00 0.00 0.00 174.94 175.41 1xm8 s TYR 166 N 1.50 3.38 0.51 3.97 2.02 -0.09 -1.73 117.35 126.92 1xm8 s TYR 166 Ca 0.04 -1.89 0.08 0.00 -0.37 0.00 0.00 57.07 54.93 1xm8 s TYR 166 Cb -0.16 -2.65 0.04 0.00 -0.40 0.00 0.00 41.96 38.79 1xm8 s TYR 166 CO -0.00 -0.85 0.55 0.00 -1.57 0.00 0.00 175.55 173.68 1xm8 h GLY 168 N 0.60 0.00 -3.82 0.00 0.00 -0.29 -3.42 103.07 96.13 1xm8 h GLY 168 Ca -0.36 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 1xm8 h GLY 168 CO 0.50 0.00 -0.29 0.30 0.00 0.00 0.00 176.54 177.05 1xm8 s HIS 169 N -3.29 -0.05 -1.21 5.60 3.76 -1.26 -1.08 115.29 117.75 1xm8 s HIS 169 Ca 0.06 -0.12 -0.13 0.00 -0.15 0.00 0.00 55.06 54.73 1xm8 s HIS 169 Cb 0.08 0.06 0.18 0.00 1.11 0.00 0.00 32.58 34.01 1xm8 s HIS 169 CO 0.60 -0.49 1.44 -1.91 -0.85 0.00 0.00 174.74 173.54 1xm8 n GLU 170 N 0.58 3.39 -0.05 1.40 4.07 0.28 -4.70 120.64 125.62 1xm8 n GLU 170 Ca -0.18 -3.87 0.07 0.00 -0.06 0.00 0.00 57.16 53.11 1xm8 n GLU 170 Cb 0.59 -3.01 0.09 0.00 -0.06 0.00 0.00 31.44 29.05 1xm8 n GLU 170 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1xm8 n TYR 171 N 5.38 0.13 -0.35 4.31 4.01 -1.26 -4.83 117.16 124.55 1xm8 n TYR 171 Ca 0.36 -0.11 -0.03 0.00 -0.16 0.00 0.00 57.90 57.96 1xm8 n TYR 171 Cb 0.42 -0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.54 1xm8 n TYR 171 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1xm8 h THR 172 N 2.64 1.26 0.13 -0.72 2.02 -1.84 -0.15 112.91 116.26 1xm8 h THR 172 Ca 0.00 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1xm8 h THR 172 Cb 0.62 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1xm8 h THR 172 CO 0.00 0.28 -0.06 0.25 0.37 0.00 0.00 175.52 176.36 1xm8 h LEU 173 N 1.29 -0.15 -0.64 2.58 5.85 -1.90 0.51 115.31 122.85 1xm8 h LEU 173 Ca 0.33 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1xm8 h LEU 173 Cb -0.02 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1xm8 h LEU 173 CO -0.06 0.13 0.39 0.77 -0.34 0.00 0.00 178.44 179.33 1xm8 h SER 174 N -0.44 0.62 -1.00 1.25 4.64 -1.88 -2.18 113.55 114.56 1xm8 h SER 174 Ca -0.02 0.01 0.13 0.00 -0.47 0.00 0.00 61.79 61.44 1xm8 h SER 174 Cb 0.35 -0.12 -0.09 0.00 -0.31 0.00 0.00 62.40 62.23 1xm8 h SER 174 CO 0.03 0.43 0.62 0.78 -0.87 0.00 0.00 176.83 177.81 1xm8 h ASN 175 N 0.75 0.89 -0.26 4.97 2.35 -0.76 -2.24 115.58 121.28 1xm8 h ASN 175 Ca 0.26 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 56.04 1xm8 h ASN 175 Cb 0.06 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1xm8 h ASN 175 CO -0.12 0.44 0.07 0.77 -1.65 0.00 0.00 177.43 176.95 1xm8 h SER 176 N 0.94 0.45 -0.35 5.81 4.64 -0.25 -0.92 113.55 123.87 1xm8 h SER 176 Ca 0.51 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.69 1xm8 h SER 176 Cb 0.56 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1xm8 h SER 176 CO -0.29 0.47 -0.10 0.11 -0.87 0.00 0.00 176.83 176.14 1xm8 h LYS 177 N 0.49 0.68 -0.19 4.77 1.57 -1.23 -0.57 116.57 122.08 1xm8 h LYS 177 Ca 0.11 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1xm8 h LYS 177 Cb 0.20 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1xm8 h LYS 177 CO -0.00 0.86 -0.00 0.35 -0.57 0.00 0.00 179.45 180.08 1xm8 h PHE 178 N 0.47 0.36 -0.88 -1.35 3.57 -1.42 -2.09 116.94 115.60 1xm8 h PHE 178 Ca 0.09 -0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.62 1xm8 h PHE 178 Cb 0.62 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.19 1xm8 h PHE 178 CO 0.05 0.53 0.52 0.00 -2.23 0.00 0.00 178.31 177.19 1xm8 h ALA 179 N 0.78 1.27 0.00 2.41 0.00 -1.01 -1.19 119.26 121.52 1xm8 h ALA 179 Ca 0.05 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1xm8 h ALA 179 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xm8 h ALA 179 CO 0.01 0.16 -0.30 -0.07 0.00 0.00 0.00 179.25 179.05 1xm8 h LEU 180 N 0.87 0.00 -1.62 0.00 3.38 -1.01 -0.75 115.31 116.18 1xm8 h LEU 180 Ca 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 1xm8 h LEU 180 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1xm8 h LEU 180 CO -0.24 0.30 -0.02 0.77 0.09 0.00 0.00 178.44 179.33 1xm8 h SER 181 N 0.00 0.19 0.08 -0.43 4.64 -0.50 -2.74 113.55 114.79 1xm8 h SER 181 Ca -0.00 -0.02 -0.37 0.00 -0.47 0.00 0.00 61.79 60.92 1xm8 h SER 181 Cb 0.81 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.80 1xm8 h SER 181 CO 0.04 0.25 -2.23 0.18 -0.87 0.00 0.00 176.83 174.20 1xm8 n LEU 182 N -4.39 2.47 -3.07 5.97 4.77 -0.64 -4.70 117.00 117.42 1xm8 n LEU 182 Ca -0.01 0.04 -0.22 0.00 -0.03 0.00 0.00 56.01 55.80 1xm8 n LEU 182 Cb 0.18 -0.81 -0.03 0.00 -2.33 0.00 0.00 43.42 40.43 1xm8 n LEU 182 CO 0.36 0.84 -0.06 1.21 -1.33 0.00 0.00 177.39 178.41 1xm8 n GLU 183 N -3.29 1.99 0.27 3.23 2.13 -0.38 -4.06 120.64 120.53 1xm8 n GLU 183 Ca -0.38 -4.04 0.13 0.00 0.66 0.00 0.00 57.16 53.53 1xm8 n GLU 183 Cb 1.03 -1.94 0.77 0.00 0.27 0.00 0.00 31.44 31.57 1xm8 n GLU 183 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1xm8 h PRO 184 N 2.99 0.00 -0.11 5.31 0.13 -1.72 -1.66 132.00 136.95 1xm8 h PRO 184 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1xm8 h PRO 184 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1xm8 h PRO 184 CO 0.64 0.08 0.00 0.09 -0.23 0.00 0.00 178.00 178.59 1xm8 n ASN 185 N -3.81 1.51 -4.59 1.44 3.02 -1.26 -4.81 115.26 106.77 1xm8 n ASN 185 Ca -0.02 -1.61 -0.42 0.00 -0.03 0.00 0.00 54.58 52.50 1xm8 n ASN 185 Cb 0.18 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.26 1xm8 n ASN 185 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1xm8 s ASN 186 N -1.72 5.89 0.17 6.41 3.84 -0.62 -4.88 114.94 124.03 1xm8 s ASN 186 Ca 0.34 0.85 -0.10 0.00 0.21 0.00 0.00 52.86 54.16 1xm8 s ASN 186 Cb 0.19 -2.53 0.05 0.00 -0.55 0.00 0.00 41.25 38.40 1xm8 s ASN 186 CO 0.29 -1.79 1.62 -0.33 -2.79 0.00 0.00 177.10 174.10 1xm8 h GLU 187 N 12.57 1.04 -0.53 0.43 5.08 -1.89 0.29 114.58 131.57 1xm8 h GLU 187 Ca -0.30 -0.35 -0.11 0.00 -1.00 0.00 0.00 59.36 57.60 1xm8 h GLU 187 Cb 1.14 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1xm8 h GLU 187 CO 1.10 1.04 -0.12 0.28 -1.00 0.00 0.00 179.01 180.32 1xm8 h VAL 188 N 0.93 1.27 -0.60 3.13 2.07 -1.90 -1.79 116.25 119.35 1xm8 h VAL 188 Ca 0.16 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 1xm8 h VAL 188 Cb 0.59 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1xm8 h VAL 188 CO 0.04 0.45 0.20 0.25 0.02 0.00 0.00 177.57 178.52 1xm8 h LEU 189 N 0.89 0.87 -0.59 2.57 5.85 -1.76 0.89 115.31 124.03 1xm8 h LEU 189 Ca 0.14 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1xm8 h LEU 189 Cb 0.68 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1xm8 h LEU 189 CO 0.05 0.83 0.31 1.56 -0.34 0.00 0.00 178.44 180.85 1xm8 h GLN 190 N 0.85 0.57 -0.24 1.25 1.08 -0.62 0.14 115.11 118.14 1xm8 h GLN 190 Ca 0.20 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.29 1xm8 h GLN 190 Cb 0.27 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1xm8 h GLN 190 CO -0.01 0.38 -0.12 1.03 -0.95 0.00 0.00 178.83 179.15 1xm8 h SER 191 N 0.59 0.52 -0.54 1.46 0.87 -0.97 -1.26 113.55 114.21 1xm8 h SER 191 Ca 0.27 -0.42 -0.04 0.00 -1.23 0.00 0.00 61.79 60.37 1xm8 h SER 191 Cb 0.17 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1xm8 h SER 191 CO -0.18 0.82 0.19 0.22 -0.53 0.00 0.00 176.83 177.35 1xm8 h TYR 192 N 0.21 0.85 -0.85 2.24 3.20 -0.66 -0.95 116.97 121.02 1xm8 h TYR 192 Ca 0.05 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1xm8 h TYR 192 Cb 0.63 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 1xm8 h TYR 192 CO 0.06 0.71 0.47 0.00 -1.64 0.00 0.00 178.16 177.77 1xm8 h ALA 193 N 1.05 1.23 -0.60 1.82 0.00 -0.64 0.12 119.26 122.25 1xm8 h ALA 193 Ca 0.18 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1xm8 h ALA 193 Cb 0.24 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1xm8 h ALA 193 CO -0.01 0.63 -0.03 0.00 0.00 0.00 0.00 179.25 179.84 1xm8 h ALA 194 N 1.34 0.81 -0.32 0.00 0.00 -0.80 -0.70 119.26 119.58 1xm8 h ALA 194 Ca 0.30 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xm8 h ALA 194 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1xm8 h ALA 194 CO -0.05 0.67 0.18 1.25 0.00 0.00 0.00 179.25 181.30 1xm8 h HIS 195 N 0.97 0.44 -0.48 0.00 6.17 -0.67 -2.24 115.15 119.34 1xm8 h HIS 195 Ca 0.17 -0.01 0.06 0.00 0.71 0.00 0.00 60.37 61.30 1xm8 h HIS 195 Cb 0.59 -0.14 -0.06 0.00 2.52 0.00 0.00 27.41 30.33 1xm8 h HIS 195 CO 0.04 0.34 0.16 0.28 0.71 0.00 0.00 177.93 179.47 1xm8 h VAL 196 N 0.41 0.83 -0.76 5.26 2.07 -0.57 -0.35 116.25 123.14 1xm8 h VAL 196 Ca 0.11 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1xm8 h VAL 196 Cb 0.04 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1xm8 h VAL 196 CO -0.02 0.06 0.44 0.00 0.02 0.00 0.00 177.57 178.07 1xm8 h ALA 197 N 1.32 1.34 -0.24 1.67 0.00 -0.97 -0.39 119.26 121.98 1xm8 h ALA 197 Ca 0.23 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1xm8 h ALA 197 Cb 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xm8 h ALA 197 CO -0.24 0.56 -0.03 1.49 0.00 0.00 0.00 179.25 181.03 1xm8 h GLU 198 N 1.06 0.45 -0.13 0.00 4.81 -0.90 0.37 114.58 120.24 1xm8 h GLU 198 Ca 0.27 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1xm8 h GLU 198 Cb -0.01 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1xm8 h GLU 198 CO -0.05 0.65 0.04 -0.07 -0.73 0.00 0.00 179.01 178.85 1xm8 h LEU 199 N 0.21 0.04 -1.07 1.64 3.38 -0.81 -2.51 115.31 116.20 1xm8 h LEU 199 Ca 0.07 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1xm8 h LEU 199 Cb 0.46 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1xm8 h LEU 199 CO 0.02 0.04 -0.46 0.03 0.09 0.00 0.00 178.44 178.17 1xm8 h ARG 200 N 0.10 0.02 0.00 1.13 2.47 -0.90 -0.71 114.38 116.49 1xm8 h ARG 200 Ca 0.06 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 1xm8 h ARG 200 Cb 0.03 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1xm8 h ARG 200 CO -0.06 0.47 -0.07 0.66 0.56 0.00 0.00 179.97 181.53 1xm8 h SER 201 N 0.02 0.00 -0.56 7.04 4.64 -0.50 -1.03 113.55 123.16 1xm8 h SER 201 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xm8 h SER 201 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1xm8 h SER 201 CO 0.06 0.07 0.00 0.29 -0.87 0.00 0.00 176.83 176.38 1xm8 n LYS 202 N -4.27 2.39 -2.98 4.77 5.02 -0.59 -4.94 118.16 117.56 1xm8 n LYS 202 Ca -0.03 -2.04 -0.22 0.00 -2.02 0.00 0.00 58.31 54.00 1xm8 n LYS 202 Cb 0.16 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.72 1xm8 n LYS 202 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xm8 n LYS 203 N 1.11 -4.17 -3.99 1.97 4.76 -0.39 -5.00 118.16 112.44 1xm8 n LYS 203 Ca 0.19 0.84 -0.32 0.00 -2.87 0.00 0.00 58.31 56.15 1xm8 n LYS 203 Cb 0.50 -5.64 -0.06 0.00 -1.84 0.00 0.00 35.03 27.99 1xm8 n LYS 203 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xm8 s LEU 204 N -6.53 4.10 0.70 -0.35 1.43 -0.38 -5.00 118.68 112.64 1xm8 s LEU 204 Ca 0.27 0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 53.38 1xm8 s LEU 204 Cb -0.12 -2.61 0.02 0.00 0.03 0.00 0.00 46.19 43.50 1xm8 s LEU 204 CO 0.33 0.21 1.27 -2.84 0.23 0.00 0.00 176.35 175.55 1xm8 s PRO 205 N -2.21 2.25 0.00 1.29 0.02 -1.26 -4.03 135.00 131.06 1xm8 s PRO 205 Ca 0.29 1.98 0.19 0.00 0.02 0.00 0.00 61.00 63.48 1xm8 s PRO 205 Cb -0.12 -1.82 0.45 0.00 0.02 0.00 0.00 34.50 33.02 1xm8 s PRO 205 CO 0.22 -1.81 1.37 0.25 -0.33 0.00 0.00 177.00 176.70 1xm8 n THR 206 N -2.35 0.74 -5.16 0.99 -2.24 -1.26 -4.91 114.28 100.09 1xm8 n THR 206 Ca 0.15 -0.87 -0.32 0.00 -2.27 0.00 0.00 64.05 60.74 1xm8 n THR 206 Cb 0.49 0.74 -0.16 0.00 -2.10 0.00 0.00 70.33 69.30 1xm8 n THR 206 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xm8 s ILE 207 N -1.17 2.29 0.57 2.28 -1.09 -1.26 -4.21 121.20 118.61 1xm8 s ILE 207 Ca 0.37 -0.97 -0.14 0.00 -2.23 0.00 0.00 60.65 57.67 1xm8 s ILE 207 Cb 0.20 -1.86 -0.06 0.00 -1.58 0.00 0.00 42.46 39.17 1xm8 s ILE 207 CO 0.27 0.57 1.01 -2.16 -1.23 0.00 0.00 174.94 173.40 1xm8 s PRO 208 N -0.13 3.70 0.07 2.79 0.04 -1.26 -5.07 135.00 135.15 1xm8 s PRO 208 Ca -0.04 0.91 0.01 0.00 0.04 0.00 0.00 61.00 61.92 1xm8 s PRO 208 Cb -0.14 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.31 1xm8 s PRO 208 CO 0.04 -0.48 0.08 -2.37 0.04 0.00 0.00 177.00 174.31 1xm8 n THR 209 N -2.12 0.00 -4.22 1.26 5.66 -0.70 -4.89 114.28 109.26 1xm8 n THR 209 Ca 0.07 -0.25 -0.15 0.00 -3.05 0.00 0.00 64.05 60.67 1xm8 n THR 209 Cb 0.54 -0.75 -0.10 0.00 -1.55 0.00 0.00 70.33 68.47 1xm8 n THR 209 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1xm8 s THR 210 N 0.22 1.12 0.25 1.09 -4.23 -1.26 -0.42 115.64 112.39 1xm8 s THR 210 Ca 0.06 -1.88 -0.04 0.00 -1.18 0.00 0.00 61.69 58.65 1xm8 s THR 210 Cb -0.00 -1.65 0.22 0.00 1.34 0.00 0.00 72.50 72.41 1xm8 s THR 210 CO 0.04 -0.64 1.71 0.58 -0.54 0.00 0.00 174.62 175.77 1xm8 h VAL 211 N 3.14 0.59 -0.11 2.29 2.07 -1.33 -1.38 116.25 121.52 1xm8 h VAL 211 Ca -0.37 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1xm8 h VAL 211 Cb 1.19 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1xm8 h VAL 211 CO 0.58 0.07 0.07 0.50 0.02 0.00 0.00 177.57 178.81 1xm8 h LYS 212 N 0.37 0.15 -0.58 1.57 3.64 -1.47 -0.39 116.57 119.86 1xm8 h LYS 212 Ca 0.42 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1xm8 h LYS 212 Cb 0.68 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1xm8 h LYS 212 CO -0.45 0.15 0.37 1.98 -2.27 0.00 0.00 179.45 179.23 1xm8 h MET 213 N 0.11 0.77 -0.47 1.90 4.05 -1.75 -2.50 114.93 117.03 1xm8 h MET 213 Ca 0.04 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.30 1xm8 h MET 213 Cb 0.04 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.66 1xm8 h MET 213 CO -0.01 0.53 -0.12 0.93 0.23 0.00 0.00 176.91 178.46 1xm8 h GLU 214 N 0.78 0.92 -1.00 0.39 4.39 -1.01 -0.98 114.58 118.06 1xm8 h GLU 214 Ca 0.21 -0.36 0.16 0.00 0.34 0.00 0.00 59.36 59.71 1xm8 h GLU 214 Cb -0.06 -0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 28.44 1xm8 h GLU 214 CO -0.04 1.01 0.62 0.87 -1.16 0.00 0.00 179.01 180.31 1xm8 h LYS 215 N 0.76 0.85 -0.00 2.33 1.57 -0.97 -0.60 116.57 120.52 1xm8 h LYS 215 Ca 0.12 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.68 1xm8 h LYS 215 Cb 0.68 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1xm8 h LYS 215 CO 0.05 0.56 -0.77 0.00 -0.57 0.00 0.00 179.45 178.72 1xm8 h ALA 216 N 1.59 0.72 0.00 3.86 0.00 -0.98 -3.42 119.26 121.05 1xm8 h ALA 216 Ca 0.54 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xm8 h ALA 216 Cb 0.70 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xm8 h ALA 216 CO -0.33 0.93 -0.77 0.00 0.00 0.00 0.00 179.25 179.08 1xm8 s ASN 218 N -2.09 6.76 0.42 0.00 3.84 -0.26 -4.93 114.94 118.68 1xm8 s ASN 218 Ca 0.00 0.81 0.11 0.00 0.21 0.00 0.00 52.86 54.00 1xm8 s ASN 218 Cb 0.00 -2.44 0.95 0.00 -0.55 0.00 0.00 41.25 39.21 1xm8 s ASN 218 CO 0.00 -0.66 1.99 1.55 -2.79 0.00 0.00 177.10 177.19 1xm8 h PRO 219 N 8.04 0.48 0.00 0.43 0.13 -1.88 -0.12 132.00 139.07 1xm8 h PRO 219 Ca -0.23 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1xm8 h PRO 219 Cb 1.09 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1xm8 h PRO 219 CO 0.92 0.32 0.00 0.74 -0.23 0.00 0.00 178.00 179.74 1xm8 h PHE 220 N 0.49 0.00 -0.32 1.56 0.04 -1.91 -1.46 116.94 115.33 1xm8 h PHE 220 Ca 0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.03 1xm8 h PHE 220 Cb 0.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1xm8 h PHE 220 CO -0.00 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.99 1xm8 n LEU 221 N -2.84 2.85 -1.43 1.54 4.77 -0.07 -4.43 117.00 117.39 1xm8 n LEU 221 Ca 0.00 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 1xm8 n LEU 221 Cb 0.25 -0.20 0.09 0.00 -2.33 0.00 0.00 43.42 41.23 1xm8 n LEU 221 CO 0.24 0.61 0.17 0.54 -1.33 0.00 0.00 177.39 177.62 1xm8 n ARG 222 N 1.10 1.30 0.12 3.23 1.74 -0.56 -4.89 116.66 118.71 1xm8 n ARG 222 Ca 0.18 -2.97 0.11 0.00 -0.77 0.00 0.00 57.85 54.40 1xm8 n ARG 222 Cb 0.51 -1.11 0.49 0.00 -1.02 0.00 0.00 32.46 31.33 1xm8 n ARG 222 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1xm8 n SER 223 N -0.40 0.60 -0.73 0.55 3.41 -1.20 -0.79 113.62 115.05 1xm8 n SER 223 Ca 0.16 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.56 1xm8 n SER 223 Cb 0.91 -0.79 0.25 0.00 -0.26 0.00 0.00 64.21 64.33 1xm8 n SER 223 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xm8 n SER 224 N -2.18 2.33 -4.73 4.04 3.41 -1.26 -4.79 113.62 110.44 1xm8 n SER 224 Ca 0.02 -1.75 -0.42 0.00 -0.26 0.00 0.00 58.87 56.45 1xm8 n SER 224 Cb 0.19 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1xm8 n SER 224 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1xm8 n ASN 225 N 0.77 3.77 -0.18 4.04 2.85 0.03 -4.91 115.26 121.63 1xm8 n ASN 225 Ca 0.15 1.11 -0.09 0.00 -0.11 0.00 0.00 54.58 55.65 1xm8 n ASN 225 Cb 0.50 -1.56 0.01 0.00 1.24 0.00 0.00 39.78 39.96 1xm8 n ASN 225 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1xm8 h THR 226 N 3.49 1.23 -0.48 -0.44 2.02 -1.93 -1.26 112.91 115.53 1xm8 h THR 226 Ca -0.45 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 65.93 1xm8 h THR 226 Cb 1.22 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 1xm8 h THR 226 CO 0.85 0.28 0.21 0.44 0.37 0.00 0.00 175.52 177.67 1xm8 h ASP 227 N 0.68 0.64 -0.21 4.18 3.32 -1.91 0.73 116.42 123.85 1xm8 h ASP 227 Ca 0.16 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1xm8 h ASP 227 Cb 0.28 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1xm8 h ASP 227 CO -0.00 0.62 0.13 0.40 -1.72 0.00 0.00 179.24 178.66 1xm8 h ILE 228 N 0.63 1.08 -0.63 0.35 2.04 -1.66 -0.37 117.51 118.96 1xm8 h ILE 228 Ca 0.16 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1xm8 h ILE 228 Cb 0.16 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1xm8 h ILE 228 CO -0.02 0.08 0.26 0.03 0.00 0.00 0.00 178.15 178.50 1xm8 h ARG 229 N 0.26 0.91 -0.14 2.37 3.08 -1.05 -1.96 114.38 117.84 1xm8 h ARG 229 Ca 0.08 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1xm8 h ARG 229 Cb 0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1xm8 h ARG 229 CO -0.01 0.74 0.06 -0.09 -1.07 0.00 0.00 179.97 179.60 1xm8 h ARG 230 N 0.90 0.21 -0.26 0.04 2.43 -0.58 0.36 114.38 117.48 1xm8 h ARG 230 Ca 0.21 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1xm8 h ARG 230 Cb 0.17 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1xm8 h ARG 230 CO -0.02 0.28 0.06 0.00 -1.51 0.00 0.00 179.97 178.77 1xm8 h ALA 231 N 0.92 1.62 -0.30 2.80 0.00 -0.60 -2.86 119.26 120.84 1xm8 h ALA 231 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xm8 h ALA 231 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xm8 h ALA 231 CO -0.01 0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.81 1xm8 n LEU 232 N -4.39 2.90 -3.63 0.00 4.77 -0.78 -4.98 117.00 110.90 1xm8 n LEU 232 Ca 0.01 -1.61 -0.23 0.00 -0.03 0.00 0.00 56.01 54.14 1xm8 n LEU 232 Cb 0.16 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1xm8 n LEU 232 CO 0.37 0.66 0.15 0.54 -1.33 0.00 0.00 177.39 177.78 1xm8 n ARG 233 N 0.89 -6.85 -3.10 3.23 1.74 -0.06 -4.96 116.66 107.57 1xm8 n ARG 233 Ca 0.13 0.77 -0.41 0.00 -0.77 0.00 0.00 57.85 57.58 1xm8 n ARG 233 Cb 0.45 -5.73 -0.06 0.00 -1.02 0.00 0.00 32.46 26.10 1xm8 n ARG 233 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xm8 s ILE 234 N -3.37 4.98 0.53 0.55 1.01 -0.20 -5.02 121.20 119.68 1xm8 s ILE 234 Ca 0.39 1.18 -0.21 0.00 0.00 0.00 0.00 60.65 62.01 1xm8 s ILE 234 Cb -0.18 -3.95 -0.07 0.00 0.01 0.00 0.00 42.46 38.27 1xm8 s ILE 234 CO 0.76 0.04 0.96 -2.65 0.00 0.00 0.00 174.94 174.06 1xm8 n PRO 235 N 5.54 1.10 0.09 2.79 -0.02 -1.26 -4.69 135.00 138.55 1xm8 n PRO 235 Ca -0.00 0.41 0.03 0.00 -2.02 0.00 0.00 63.50 61.92 1xm8 n PRO 235 Cb 0.49 -2.10 0.42 0.00 -0.02 0.00 0.00 33.50 32.29 1xm8 n PRO 235 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xm8 h GLU 236 N 0.94 0.32 -0.01 -0.52 4.81 -1.96 -2.57 114.58 115.59 1xm8 h GLU 236 Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1xm8 h GLU 236 Cb 1.35 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1xm8 h GLU 236 CO 0.53 0.34 -0.28 0.00 -0.73 0.00 0.00 179.01 178.88 1xm8 n ALA 237 N -2.49 3.12 -1.71 2.92 0.00 -1.26 -4.93 120.51 116.15 1xm8 n ALA 237 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1xm8 n ALA 237 Cb 0.19 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 1xm8 n ALA 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xm8 n ALA 238 N -0.70 1.53 -1.28 0.00 0.00 -0.97 -4.97 120.51 114.12 1xm8 n ALA 238 Ca 0.12 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.62 1xm8 n ALA 238 Cb 0.35 -2.29 0.13 0.00 0.00 0.00 0.00 19.45 17.63 1xm8 n ALA 238 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1xm8 s ASP 239 N -0.23 3.70 0.30 0.00 1.47 -1.26 -4.79 116.67 115.85 1xm8 s ASP 239 Ca 0.56 1.45 0.08 0.00 1.18 0.00 0.00 52.55 55.81 1xm8 s ASP 239 Cb -0.55 -2.14 0.46 0.00 -0.34 0.00 0.00 42.92 40.34 1xm8 s ASP 239 CO 0.62 -2.49 1.69 -0.33 0.68 0.00 0.00 175.17 175.34 1xm8 h GLU 240 N -1.45 0.17 -0.40 2.11 4.39 -1.93 -1.39 114.58 116.09 1xm8 h GLU 240 Ca -0.49 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.13 1xm8 h GLU 240 Cb 1.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 1xm8 h GLU 240 CO 0.55 0.60 0.26 0.00 -1.16 0.00 0.00 179.01 179.27 1xm8 h ALA 241 N 1.39 0.51 -0.18 3.43 0.00 -1.92 0.24 119.26 122.73 1xm8 h ALA 241 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xm8 h ALA 241 Cb 0.87 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1xm8 h ALA 241 CO 0.07 -0.04 0.11 1.49 0.00 0.00 0.00 179.25 180.88 1xm8 h GLU 242 N 0.54 0.24 -0.19 0.00 4.81 -1.81 -1.40 114.58 116.77 1xm8 h GLU 242 Ca 0.15 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1xm8 h GLU 242 Cb -0.06 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1xm8 h GLU 242 CO -0.03 0.18 -0.03 0.00 -0.73 0.00 0.00 179.01 178.39 1xm8 h ALA 243 N 1.04 0.14 -0.77 2.92 0.00 -1.13 -1.99 119.26 119.48 1xm8 h ALA 243 Ca 0.06 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1xm8 h ALA 243 Cb -0.00 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 1xm8 h ALA 243 CO -0.01 -0.46 0.42 1.25 0.00 0.00 0.00 179.25 180.44 1xm8 h LEU 244 N 0.02 0.60 -0.85 0.00 6.46 -0.30 -0.64 115.31 120.59 1xm8 h LEU 244 Ca 0.09 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.96 1xm8 h LEU 244 Cb 0.13 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 39.93 1xm8 h LEU 244 CO -0.18 0.35 0.53 1.23 -0.62 0.00 0.00 178.44 179.75 1xm8 h GLY 245 N 0.72 1.28 1.07 3.75 0.00 -0.70 0.47 103.07 109.66 1xm8 h GLY 245 Ca 0.37 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 1xm8 h GLY 245 CO -0.24 0.27 -0.49 -2.22 0.00 0.00 0.00 176.54 173.86 1xm8 h ILE 246 N 0.97 1.29 -0.99 2.60 2.04 -0.60 -1.53 117.51 121.29 1xm8 h ILE 246 Ca 0.37 -1.68 0.01 0.00 1.00 0.00 0.00 64.86 64.55 1xm8 h ILE 246 Cb 0.16 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 1xm8 h ILE 246 CO -0.17 0.54 0.64 0.40 0.00 0.00 0.00 178.15 179.56 1xm8 h ILE 247 N 0.55 1.26 -0.19 -0.67 2.04 -0.80 -1.10 117.51 118.60 1xm8 h ILE 247 Ca 0.01 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 1xm8 h ILE 247 Cb 1.09 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1xm8 h ILE 247 CO 0.11 0.26 -0.01 -0.09 0.00 0.00 0.00 178.15 178.42 1xm8 h ARG 248 N 1.35 0.34 -0.61 2.37 9.65 -0.70 0.97 114.38 127.76 1xm8 h ARG 248 Ca 0.36 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 59.11 1xm8 h ARG 248 Cb -0.13 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.39 1xm8 h ARG 248 CO -0.08 0.55 0.30 0.87 2.80 0.00 0.00 179.97 184.42 1xm8 h LYS 249 N 0.09 0.87 -0.35 0.20 1.57 -1.05 -0.14 116.57 117.77 1xm8 h LYS 249 Ca 0.05 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1xm8 h LYS 249 Cb 0.40 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1xm8 h LYS 249 CO 0.01 0.69 0.13 0.00 -0.57 0.00 0.00 179.45 179.71 1xm8 h ALA 250 N 1.13 0.41 -0.58 3.86 0.00 -0.95 -2.24 119.26 120.90 1xm8 h ALA 250 Ca 0.21 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1xm8 h ALA 250 Cb 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1xm8 h ALA 250 CO -0.03 -0.26 0.18 -0.22 0.00 0.00 0.00 179.25 178.92 1xm8 h LYS 251 N 0.28 0.90 -0.78 0.00 3.64 -0.48 -2.18 116.57 117.95 1xm8 h LYS 251 Ca 0.16 -0.19 0.13 0.00 -1.27 0.00 0.00 60.65 59.48 1xm8 h LYS 251 Cb 0.12 -0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 31.72 1xm8 h LYS 251 CO -0.16 0.81 0.37 -0.44 -2.27 0.00 0.00 179.45 177.76 1xm8 h ASP 252 N 0.81 0.42 -0.56 4.20 3.32 -0.78 -2.32 116.42 121.51 1xm8 h ASP 252 Ca 0.19 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1xm8 h ASP 252 Cb 0.28 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1xm8 h ASP 252 CO -0.01 0.18 0.00 -0.67 -1.72 0.00 0.00 179.24 177.03 1xm8 n ASP 253 N -4.92 5.63 -0.14 6.45 2.03 -0.87 -5.11 116.55 119.63 1xm8 n ASP 253 Ca 0.15 -2.93 0.15 0.00 0.52 0.00 0.00 54.79 52.68 1xm8 n ASP 253 Cb 0.39 -0.68 0.83 0.00 -0.72 0.00 0.00 41.12 40.94 1xm8 n ASP 253 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61