#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xqy s ILE 6 N -0.25 3.31 -1.26 0.00 2.07 -1.22 -4.85 121.20 119.00 1xqy s ILE 6 Ca 0.32 -0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.43 1xqy s ILE 6 Cb -0.19 -3.78 0.16 0.00 0.13 0.00 0.00 42.46 38.78 1xqy s ILE 6 CO 0.18 -0.75 1.67 -1.84 -1.91 0.00 0.00 174.94 172.28 1xqy n GLU 7 N 9.05 3.43 -2.29 3.50 0.28 -1.26 -4.07 120.64 129.28 1xqy n GLU 7 Ca 0.30 -3.63 -0.23 0.00 -0.16 0.00 0.00 57.16 53.44 1xqy n GLU 7 Cb 0.50 -3.04 0.13 0.00 1.43 0.00 0.00 31.44 30.47 1xqy n GLU 7 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1xqy n ASN 8 N 5.15 0.98 -4.56 -1.84 5.15 -1.04 -4.88 115.26 114.23 1xqy n ASN 8 Ca 0.40 -1.92 -0.25 0.00 -0.60 0.00 0.00 54.58 52.20 1xqy n ASN 8 Cb 0.40 -0.70 -0.10 0.00 -0.53 0.00 0.00 39.78 38.86 1xqy n ASN 8 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1xqy s TYR 9 N -3.12 2.44 -0.25 1.20 4.12 -1.26 -1.81 117.35 118.67 1xqy s TYR 9 Ca 0.65 -0.44 -0.10 0.00 0.02 0.00 0.00 57.07 57.20 1xqy s TYR 9 Cb -0.03 -1.33 0.10 0.00 -1.52 0.00 0.00 41.96 39.17 1xqy s TYR 9 CO 0.44 0.58 0.56 0.00 0.02 0.00 0.00 175.55 177.15 1xqy s ALA 10 N -2.55 -1.62 -0.05 3.71 0.00 0.20 -4.92 121.76 116.53 1xqy s ALA 10 Ca 0.33 2.02 -0.29 0.00 0.00 0.00 0.00 51.96 54.01 1xqy s ALA 10 Cb -0.00 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1xqy s ALA 10 CO 0.17 -0.66 0.97 0.21 0.00 0.00 0.00 175.76 176.46 1xqy s LYS 11 N 2.31 4.49 -0.08 0.00 2.36 -1.26 0.05 119.74 127.61 1xqy s LYS 11 Ca -0.06 1.37 -0.04 0.00 -2.55 0.00 0.00 55.97 54.69 1xqy s LYS 11 Cb -0.10 -3.50 0.04 0.00 -1.05 0.00 0.00 37.83 33.23 1xqy s LYS 11 CO -0.17 -0.17 0.18 0.08 1.55 0.00 0.00 175.35 176.83 1xqy s VAL 12 N 1.47 -0.08 -1.17 4.02 1.01 0.15 -4.94 120.40 120.86 1xqy s VAL 12 Ca 0.49 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.56 1xqy s VAL 12 Cb -0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 1xqy s VAL 12 CO 0.23 0.08 0.80 0.59 0.00 0.00 0.00 175.10 176.80 1xqy n ASN 13 N 4.37 -4.34 0.00 3.32 5.03 -1.26 -2.50 115.26 119.88 1xqy n ASN 13 Ca -0.23 -0.87 0.00 0.00 0.87 0.00 0.00 54.58 54.35 1xqy n ASN 13 Cb 0.52 -4.10 0.00 0.00 -1.02 0.00 0.00 39.78 35.17 1xqy n ASN 13 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xqy n GLY 14 N -1.52 1.95 3.65 7.41 0.00 -1.26 -4.93 105.19 110.48 1xqy n GLY 14 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1xqy n GLY 14 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xqy s ILE 15 N -0.34 2.83 0.14 -0.61 -4.36 -1.04 -5.11 121.20 112.71 1xqy s ILE 15 Ca 0.00 -1.92 -0.04 0.00 -0.26 0.00 0.00 60.65 58.43 1xqy s ILE 15 Cb 0.00 -2.83 -0.05 0.00 1.25 0.00 0.00 42.46 40.83 1xqy s ILE 15 CO 0.00 -0.23 0.36 -0.31 0.24 0.00 0.00 174.94 175.00 1xqy s TYR 16 N -2.47 3.48 0.00 1.37 1.51 -1.26 0.33 117.35 120.31 1xqy s TYR 16 Ca 0.35 0.52 0.02 0.00 -1.01 0.00 0.00 57.07 56.95 1xqy s TYR 16 Cb -0.02 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 1xqy s TYR 16 CO 0.20 0.44 -0.07 0.42 -1.11 0.00 0.00 175.55 175.44 1xqy s ILE 17 N -1.66 0.51 -0.04 2.71 -1.09 0.11 -1.83 121.20 119.90 1xqy s ILE 17 Ca 0.40 -0.36 -0.10 0.00 -2.23 0.00 0.00 60.65 58.36 1xqy s ILE 17 Cb -0.12 -0.44 -0.05 0.00 -1.58 0.00 0.00 42.46 40.27 1xqy s ILE 17 CO 0.25 0.08 0.28 -0.47 -1.23 0.00 0.00 174.94 173.86 1xqy s TYR 18 N -0.29 3.65 -0.05 3.97 5.04 -1.26 0.58 117.35 128.99 1xqy s TYR 18 Ca 0.01 0.74 -0.03 0.00 -2.44 0.00 0.00 57.07 55.35 1xqy s TYR 18 Cb -0.03 -2.10 0.03 0.00 0.35 0.00 0.00 41.96 40.20 1xqy s TYR 18 CO -0.00 0.67 0.12 1.52 -1.34 0.00 0.00 175.55 176.52 1xqy s TYR 19 N -1.11 -0.13 -0.10 4.97 1.13 -0.75 -3.32 117.35 118.04 1xqy s TYR 19 Ca 0.21 0.38 0.02 0.00 -1.41 0.00 0.00 57.07 56.27 1xqy s TYR 19 Cb -0.14 -0.04 0.02 0.00 -1.10 0.00 0.00 41.96 40.70 1xqy s TYR 19 CO 0.10 -0.11 -0.14 0.21 -2.51 0.00 0.00 175.55 173.10 1xqy s LYS 20 N 0.66 2.01 -0.08 -3.49 2.20 -0.92 -2.48 119.74 117.64 1xqy s LYS 20 Ca -0.05 -0.49 -0.04 0.00 -0.36 0.00 0.00 55.97 55.03 1xqy s LYS 20 Cb -0.07 -1.72 0.04 0.00 -1.51 0.00 0.00 37.83 34.57 1xqy s LYS 20 CO -0.03 -0.06 0.17 -1.17 -0.36 0.00 0.00 175.35 173.91 1xqy s LEU 21 N 0.97 0.70 -1.02 5.43 2.96 -1.26 0.20 118.68 126.66 1xqy s LEU 21 Ca -0.08 0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 54.11 1xqy s LEU 21 Cb -0.15 0.47 0.26 0.00 0.50 0.00 0.00 46.19 47.27 1xqy s LEU 21 CO -0.01 -0.15 0.99 0.00 -1.32 0.00 0.00 176.35 175.87 1xqy n LYS 23 N 2.87 0.00 -1.74 0.00 5.02 -1.26 -4.30 118.16 118.75 1xqy n LYS 23 Ca 0.21 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.09 1xqy n LYS 23 Cb 0.40 -1.41 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 1xqy n LYS 23 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xqy n ALA 24 N 6.85 2.12 -0.88 7.82 0.00 -1.26 -4.92 120.51 130.24 1xqy n ALA 24 Ca 0.50 0.36 0.00 0.00 0.00 0.00 0.00 53.44 54.30 1xqy n ALA 24 Cb -0.04 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1xqy n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xqy n PRO 25 N 1.11 0.00 -3.05 0.00 -0.02 -1.26 -3.58 135.00 128.20 1xqy n PRO 25 Ca 0.05 0.54 -0.44 0.00 -2.02 0.00 0.00 63.50 61.63 1xqy n PRO 25 Cb 0.37 -1.03 -0.04 0.00 -0.02 0.00 0.00 33.50 32.78 1xqy n PRO 25 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1xqy s GLU 26 N -1.20 3.06 -0.52 -0.52 2.56 -1.26 -4.97 118.70 115.84 1xqy s GLU 26 Ca 0.00 -1.21 -0.35 0.00 0.00 0.00 0.00 54.97 53.41 1xqy s GLU 26 Cb 0.00 -4.26 -0.14 0.00 2.00 0.00 0.00 34.13 31.73 1xqy s GLU 26 CO 0.00 -1.61 2.32 0.39 -0.56 0.00 0.00 175.26 175.80 1xqy n GLU 27 N 6.65 0.67 -0.06 4.30 -0.58 -1.23 -4.56 120.64 125.83 1xqy n GLU 27 Ca -0.08 0.14 -0.08 0.00 -0.42 0.00 0.00 57.16 56.72 1xqy n GLU 27 Cb 0.43 -2.25 -0.06 0.00 -0.57 0.00 0.00 31.44 29.00 1xqy n GLU 27 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1xqy n LYS 28 N 8.26 0.48 -3.56 3.49 5.02 -0.48 -5.05 118.16 126.32 1xqy n LYS 28 Ca 0.48 0.06 -0.17 0.00 -2.02 0.00 0.00 58.31 56.67 1xqy n LYS 28 Cb 0.19 -1.25 -0.06 0.00 -0.02 0.00 0.00 35.03 33.89 1xqy n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xqy s ALA 29 N -2.25 -1.57 -0.34 7.82 0.00 -1.24 -5.04 121.76 119.14 1xqy s ALA 29 Ca -0.16 1.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.81 1xqy s ALA 29 Cb 0.04 0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.30 1xqy s ALA 29 CO 0.29 -0.38 0.11 0.15 0.00 0.00 0.00 175.76 175.93 1xqy s LYS 30 N -1.45 2.53 -0.30 0.00 -0.14 -1.26 -0.95 119.74 118.17 1xqy s LYS 30 Ca -0.10 -1.28 -0.11 0.00 -1.36 0.00 0.00 55.97 53.12 1xqy s LYS 30 Cb -0.01 -3.44 -0.03 0.00 -1.68 0.00 0.00 37.83 32.67 1xqy s LYS 30 CO 0.07 -0.72 0.19 -1.17 -0.76 0.00 0.00 175.35 172.96 1xqy s LEU 31 N 1.35 4.14 -0.05 3.17 2.96 -0.69 0.53 118.68 130.09 1xqy s LEU 31 Ca -0.01 -0.27 -0.15 0.00 -0.22 0.00 0.00 54.13 53.47 1xqy s LEU 31 Cb -0.20 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.36 1xqy s LEU 31 CO 0.01 -0.14 0.41 -0.32 -1.32 0.00 0.00 176.35 175.00 1xqy s MET 32 N 1.70 4.06 0.20 1.98 1.75 0.39 -1.88 119.30 127.51 1xqy s MET 32 Ca 0.06 0.39 -0.03 0.00 -1.25 0.00 0.00 55.69 54.86 1xqy s MET 32 Cb -0.17 -3.30 -0.05 0.00 2.84 0.00 0.00 34.83 34.16 1xqy s MET 32 CO 0.09 0.51 0.42 0.95 -0.65 0.00 0.00 175.02 176.34 1xqy s THR 33 N -0.48 5.16 -0.29 10.11 -4.23 -0.96 0.36 115.64 125.30 1xqy s THR 33 Ca 0.23 -0.17 -0.03 0.00 -1.18 0.00 0.00 61.69 60.55 1xqy s THR 33 Cb -0.16 -3.70 0.11 0.00 1.34 0.00 0.00 72.50 70.09 1xqy s THR 33 CO 0.12 -0.15 0.19 -0.32 -0.54 0.00 0.00 174.62 173.92 1xqy s MET 34 N -3.19 0.26 0.57 3.99 0.00 0.39 -4.65 119.30 116.67 1xqy s MET 34 Ca 0.40 -0.46 -0.18 0.00 0.00 0.00 0.00 55.69 55.46 1xqy s MET 34 Cb -0.11 -1.00 -0.05 0.00 0.00 0.00 0.00 34.83 33.67 1xqy s MET 34 CO 0.28 -1.04 1.09 -3.38 0.00 0.00 0.00 175.02 171.98 1xqy s HIS 35 N 2.11 2.78 0.00 4.11 -3.43 -1.26 0.16 115.29 119.76 1xqy s HIS 35 Ca 0.10 1.55 0.00 0.00 -0.80 0.00 0.00 55.06 55.90 1xqy s HIS 35 Cb -0.16 -3.16 0.00 0.00 -1.43 0.00 0.00 32.58 27.83 1xqy s HIS 35 CO -0.33 -1.37 0.00 0.41 -2.00 0.00 0.00 174.74 171.45 1xqy n GLY 36 N -0.30 1.61 0.00 -1.38 0.00 -0.87 -3.14 105.19 101.11 1xqy n GLY 36 Ca 0.10 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1xqy n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xqy n GLY 37 N 5.00 1.74 0.00 -0.02 0.00 -1.26 -3.50 105.19 107.15 1xqy n GLY 37 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1xqy n GLY 37 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xqy n PRO 38 N 0.00 3.05 -0.29 1.61 -0.02 -1.26 -4.85 135.00 133.23 1xqy n PRO 38 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1xqy n PRO 38 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1xqy n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xqy n GLY 39 N 1.56 0.00 0.00 -1.23 0.00 -1.26 -4.53 105.19 99.73 1xqy n GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xqy n GLY 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xqy n MET 40 N 0.12 3.53 -3.83 1.61 2.81 -1.23 -3.16 117.12 116.98 1xqy n MET 40 Ca 0.00 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.81 1xqy n MET 40 Cb 0.10 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.62 1xqy n MET 40 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1xqy s SER 41 N -1.00 -0.09 0.31 7.83 1.04 -1.26 -3.48 113.70 117.05 1xqy s SER 41 Ca 0.00 -0.96 0.24 0.00 0.48 0.00 0.00 55.95 55.71 1xqy s SER 41 Cb 0.00 0.81 0.35 0.00 0.10 0.00 0.00 66.02 67.28 1xqy s SER 41 CO 0.00 -1.57 1.48 1.12 0.98 0.00 0.00 173.24 175.25 1xqy h HIS 42 N 2.00 0.00 -0.26 5.02 2.07 -1.97 -3.36 115.15 118.66 1xqy h HIS 42 Ca -0.28 0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.32 1xqy h HIS 42 Cb 1.25 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.22 1xqy h HIS 42 CO 1.05 0.00 0.85 -0.44 -3.07 0.00 0.00 177.93 176.32 1xqy h ASP 43 N 0.00 0.00 -0.66 3.10 5.19 -1.96 1.02 116.42 123.10 1xqy h ASP 43 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1xqy h ASP 43 Cb 0.92 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.43 1xqy h ASP 43 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 1xqy n TYR 44 N -2.85 1.15 -0.03 4.55 4.11 -1.21 -3.86 117.16 119.02 1xqy n TYR 44 Ca 0.05 -0.51 0.02 0.00 -0.00 0.00 0.00 57.90 57.46 1xqy n TYR 44 Cb 0.94 -0.10 0.04 0.00 -0.00 0.00 0.00 39.34 40.21 1xqy n TYR 44 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1xqy n LEU 45 N 1.34 2.14 0.02 -3.48 4.32 0.35 -4.69 117.00 117.01 1xqy n LEU 45 Ca 0.24 -1.88 0.17 0.00 -0.02 0.00 0.00 56.01 54.52 1xqy n LEU 45 Cb 0.70 -0.06 0.66 0.00 -1.62 0.00 0.00 43.42 43.10 1xqy n LEU 45 CO 0.19 0.53 1.17 -0.07 -1.22 0.00 0.00 177.39 177.99 1xqy h LEU 46 N 0.58 0.05 -1.73 2.23 3.38 -1.66 -2.47 115.31 115.69 1xqy h LEU 46 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1xqy h LEU 46 Cb 0.51 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1xqy h LEU 46 CO 0.00 0.03 0.63 0.77 0.09 0.00 0.00 178.44 179.96 1xqy h SER 47 N 0.06 0.00 0.03 -0.43 4.64 -1.88 0.31 113.55 116.28 1xqy h SER 47 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1xqy h SER 47 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1xqy h SER 47 CO -0.01 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.13 1xqy n LEU 48 N -3.52 0.00 -0.14 5.97 4.32 -0.93 -2.35 117.00 120.35 1xqy n LEU 48 Ca 0.10 0.17 0.07 0.00 -0.02 0.00 0.00 56.01 56.34 1xqy n LEU 48 Cb 0.83 -0.17 0.39 0.00 -1.62 0.00 0.00 43.42 42.85 1xqy n LEU 48 CO 0.25 -0.16 1.20 0.03 -1.22 0.00 0.00 177.39 177.50 1xqy h ARG 49 N 0.00 0.65 0.00 3.23 3.08 -1.19 0.62 114.38 120.77 1xqy h ARG 49 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1xqy h ARG 49 Cb 0.01 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1xqy h ARG 49 CO 0.00 0.43 0.01 -0.25 -1.07 0.00 0.00 179.97 179.09 1xqy n ASP 50 N -4.48 0.00 0.03 7.04 8.00 -0.99 -0.92 116.55 125.23 1xqy n ASP 50 Ca 0.10 0.05 0.11 0.00 0.71 0.00 0.00 54.79 55.76 1xqy n ASP 50 Cb 0.24 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.21 1xqy n ASP 50 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1xqy n MET 51 N -0.99 0.48 0.18 -1.24 2.81 0.21 -3.91 117.12 114.66 1xqy n MET 51 Ca 0.00 -0.06 0.03 0.00 -1.81 0.00 0.00 57.70 55.87 1xqy n MET 51 Cb 0.01 -1.60 0.36 0.00 -0.71 0.00 0.00 33.22 31.27 1xqy n MET 51 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1xqy h THR 52 N 0.00 1.17 -0.74 2.03 1.35 -0.90 -1.93 112.91 113.89 1xqy h THR 52 Ca 0.00 -1.39 0.13 0.00 -0.55 0.00 0.00 66.41 64.60 1xqy h THR 52 Cb 0.88 1.77 -0.09 0.00 -1.73 0.00 0.00 68.15 68.98 1xqy h THR 52 CO 0.00 0.38 0.30 0.11 -0.25 0.00 0.00 175.52 176.06 1xqy h LYS 53 N 0.00 0.44 -1.00 4.72 1.57 -1.70 1.06 116.57 121.66 1xqy h LYS 53 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1xqy h LYS 53 Cb 0.74 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1xqy h LYS 53 CO 0.05 0.29 0.01 0.39 -0.57 0.00 0.00 179.45 179.62 1xqy n GLU 54 N -4.99 1.03 -2.53 3.15 -0.58 -0.93 -4.75 120.64 111.04 1xqy n GLU 54 Ca 0.13 -0.05 -0.16 0.00 -0.42 0.00 0.00 57.16 56.66 1xqy n GLU 54 Cb 0.39 -1.13 -0.00 0.00 -0.57 0.00 0.00 31.44 30.13 1xqy n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xqy n GLY 55 N 0.37 -0.50 3.39 0.62 0.00 0.36 -4.87 105.19 104.56 1xqy n GLY 55 Ca 0.01 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1xqy n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xqy s ILE 56 N -2.81 4.32 0.38 -0.61 1.01 -0.77 -1.39 121.20 121.34 1xqy s ILE 56 Ca 0.05 -0.63 -0.25 0.00 0.00 0.00 0.00 60.65 59.82 1xqy s ILE 56 Cb -0.02 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 39.10 1xqy s ILE 56 CO 0.06 0.01 1.11 -0.89 0.00 0.00 0.00 174.94 175.23 1xqy s THR 57 N 1.55 3.43 -0.10 2.92 2.01 -0.12 -2.92 115.64 122.41 1xqy s THR 57 Ca 0.03 1.18 -0.02 0.00 0.31 0.00 0.00 61.69 63.19 1xqy s THR 57 Cb -0.18 -3.65 0.04 0.00 0.01 0.00 0.00 72.50 68.72 1xqy s THR 57 CO 0.05 0.09 0.04 -0.69 -0.69 0.00 0.00 174.62 173.42 1xqy s VAL 58 N -1.48 0.14 0.06 3.82 1.01 -1.26 -1.71 120.40 120.97 1xqy s VAL 58 Ca 0.56 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.60 1xqy s VAL 58 Cb -0.27 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1xqy s VAL 58 CO 0.34 0.07 0.24 -0.22 0.00 0.00 0.00 175.10 175.53 1xqy s LEU 59 N 2.06 4.34 0.20 3.92 0.20 -0.79 -2.75 118.68 125.87 1xqy s LEU 59 Ca 0.04 0.38 0.08 0.00 0.69 0.00 0.00 54.13 55.31 1xqy s LEU 59 Cb -0.14 -2.94 -0.05 0.00 -0.43 0.00 0.00 46.19 42.64 1xqy s LEU 59 CO -0.06 0.17 -0.15 -0.36 -0.29 0.00 0.00 176.35 175.67 1xqy s PHE 60 N -1.48 1.72 -0.29 5.38 0.08 0.55 -2.26 117.98 121.67 1xqy s PHE 60 Ca 0.34 -0.57 -0.24 0.00 0.12 0.00 0.00 56.93 56.59 1xqy s PHE 60 Cb -0.13 -0.80 0.15 0.00 -0.57 0.00 0.00 43.02 41.68 1xqy s PHE 60 CO 0.24 0.36 1.17 1.52 -0.10 0.00 0.00 175.22 178.41 1xqy s TYR 61 N -2.95 -0.33 -0.37 0.36 1.13 -1.26 -2.17 117.35 111.75 1xqy s TYR 61 Ca 0.22 0.78 -0.19 0.00 -1.41 0.00 0.00 57.07 56.48 1xqy s TYR 61 Cb -0.01 0.38 0.00 0.00 -1.10 0.00 0.00 41.96 41.24 1xqy s TYR 61 CO 0.07 -0.16 0.54 -0.51 -2.51 0.00 0.00 175.55 172.98 1xqy s ASP 62 N 0.33 6.32 1.26 -0.18 -0.00 -1.21 -4.60 116.67 118.59 1xqy s ASP 62 Ca 0.03 -0.13 -0.19 0.00 -0.00 0.00 0.00 52.55 52.26 1xqy s ASP 62 Cb -0.05 -2.28 0.28 0.00 -0.00 0.00 0.00 42.92 40.87 1xqy s ASP 62 CO -0.10 -0.56 0.65 0.00 -0.00 0.00 0.00 175.17 175.16 1xqy n GLN 63 N 5.86 -3.33 -1.68 8.23 6.02 -1.26 -4.58 117.38 126.63 1xqy n GLN 63 Ca -0.04 -0.98 -0.63 0.00 -0.01 0.00 0.00 57.00 55.35 1xqy n GLN 63 Cb 0.48 -1.84 -0.09 0.00 1.02 0.00 0.00 30.24 29.82 1xqy n GLN 63 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1xqy n PHE 64 N -5.15 1.60 -0.77 1.08 -1.74 -1.26 0.35 117.46 111.57 1xqy n PHE 64 Ca 0.07 0.96 0.00 0.00 -0.56 0.00 0.00 57.45 57.92 1xqy n PHE 64 Cb 0.53 -2.26 0.00 0.00 1.52 0.00 0.00 39.48 39.27 1xqy n PHE 64 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1xqy n GLY 65 N 3.48 0.24 3.89 4.97 0.00 -0.06 -4.80 105.19 112.91 1xqy n GLY 65 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 1xqy n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xqy n GLY 67 N -0.25 2.83 0.22 0.00 0.00 -1.23 -1.34 105.19 105.43 1xqy n GLY 67 Ca -0.01 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1xqy n GLY 67 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xqy h ARG 68 N 0.00 0.00 -7.38 1.61 3.08 -1.92 -3.46 114.38 106.32 1xqy h ARG 68 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1xqy h ARG 68 Cb 0.00 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.15 1xqy h ARG 68 CO 0.00 0.00 0.36 -1.12 -1.07 0.00 0.00 179.97 178.14 1xqy s SER 69 N -5.98 5.01 0.18 7.04 0.01 -0.45 -4.76 113.70 114.76 1xqy s SER 69 Ca 0.06 1.45 0.02 0.00 1.31 0.00 0.00 55.95 58.79 1xqy s SER 69 Cb 0.06 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 1xqy s SER 69 CO 0.64 -1.66 0.33 -1.83 0.41 0.00 0.00 173.24 171.13 1xqy s GLU 70 N -5.11 3.46 0.18 12.44 -1.05 -0.76 -4.02 118.70 123.84 1xqy s GLU 70 Ca 0.59 -0.54 -0.21 0.00 -0.15 0.00 0.00 54.97 54.66 1xqy s GLU 70 Cb -0.14 -2.91 -0.08 0.00 -0.44 0.00 0.00 34.13 30.56 1xqy s GLU 70 CO 0.54 0.46 0.71 -1.83 0.95 0.00 0.00 175.26 176.10 1xqy s GLU 71 N -3.40 4.33 0.00 -4.83 -1.05 -1.26 -0.88 118.70 111.61 1xqy s GLU 71 Ca 0.36 0.92 0.00 0.00 -0.15 0.00 0.00 54.97 56.10 1xqy s GLU 71 Cb -0.11 -3.05 0.00 0.00 -0.44 0.00 0.00 34.13 30.53 1xqy s GLU 71 CO 0.29 0.49 0.00 -0.35 0.95 0.00 0.00 175.26 176.64 1xqy n PRO 72 N 1.14 0.47 -1.81 -4.83 -0.04 -1.26 -4.83 135.00 123.84 1xqy n PRO 72 Ca -0.05 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.03 1xqy n PRO 72 Cb 0.50 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.00 1xqy n PRO 72 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xqy s ASP 73 N -1.00 5.45 0.00 3.54 -1.08 -1.26 -4.79 116.67 117.53 1xqy s ASP 73 Ca 0.00 2.77 0.04 0.00 -0.52 0.00 0.00 52.55 54.84 1xqy s ASP 73 Cb 0.00 -2.64 0.20 0.00 -1.46 0.00 0.00 42.92 39.02 1xqy s ASP 73 CO 0.00 -1.45 1.07 1.67 0.52 0.00 0.00 175.17 176.98 1xqy n GLN 74 N -0.82 0.03 0.01 4.34 7.27 -1.26 -2.14 117.38 124.81 1xqy n GLN 74 Ca 0.09 0.35 -0.09 0.00 0.07 0.00 0.00 57.00 57.42 1xqy n GLN 74 Cb 0.44 -1.50 0.07 0.00 2.41 0.00 0.00 30.24 31.66 1xqy n GLN 74 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 1xqy h SER 75 N 0.00 0.59 -0.73 1.69 0.02 -2.04 -3.10 113.55 109.99 1xqy h SER 75 Ca 0.00 -0.31 -0.46 0.00 -0.84 0.00 0.00 61.79 60.18 1xqy h SER 75 Cb 0.06 -0.17 -0.19 0.00 0.14 0.00 0.00 62.40 62.24 1xqy h SER 75 CO 0.00 1.01 0.58 0.29 -1.14 0.00 0.00 176.83 177.57 1xqy n LYS 76 N -3.96 2.15 -2.81 3.45 5.02 -0.91 -4.73 118.16 116.37 1xqy n LYS 76 Ca -0.03 -2.21 -0.43 0.00 -2.02 0.00 0.00 58.31 53.62 1xqy n LYS 76 Cb 0.59 -1.88 0.01 0.00 -0.02 0.00 0.00 35.03 33.73 1xqy n LYS 76 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1xqy n PHE 77 N -0.02 2.73 -4.07 2.13 -0.00 -1.17 -4.81 117.46 112.25 1xqy n PHE 77 Ca 0.42 -2.75 -0.12 0.00 -0.00 0.00 0.00 57.45 55.01 1xqy n PHE 77 Cb 0.59 -1.53 -0.04 0.00 -0.00 0.00 0.00 39.48 38.50 1xqy n PHE 77 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1xqy n THR 78 N 2.14 0.00 -0.04 -2.13 -2.24 -1.26 -4.94 114.28 105.81 1xqy n THR 78 Ca 0.31 -1.49 -0.22 0.00 -2.27 0.00 0.00 64.05 60.38 1xqy n THR 78 Cb 0.35 0.81 -0.13 0.00 -2.10 0.00 0.00 70.33 69.26 1xqy n THR 78 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1xqy n ILE 79 N -0.43 1.69 0.29 2.28 -6.64 -1.26 -3.07 119.36 112.22 1xqy n ILE 79 Ca 0.03 -0.40 0.14 0.00 -1.77 0.00 0.00 62.75 60.75 1xqy n ILE 79 Cb 0.42 -1.86 0.77 0.00 -1.44 0.00 0.00 39.64 37.52 1xqy n ILE 79 CO 0.00 0.00 0.00 0.44 -1.77 0.00 0.00 176.55 175.22 1xqy h ASP 80 N -0.37 0.00 0.00 7.28 3.32 -1.97 -1.21 116.42 123.47 1xqy h ASP 80 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1xqy h ASP 80 Cb 1.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.29 1xqy h ASP 80 CO -0.04 0.00 -0.24 0.22 -1.72 0.00 0.00 179.24 177.47 1xqy h TYR 81 N 0.00 0.00 -1.08 4.55 3.20 -1.89 -3.34 116.97 118.42 1xqy h TYR 81 Ca 0.00 0.00 0.41 0.00 3.14 0.00 0.00 58.73 62.28 1xqy h TYR 81 Cb 0.50 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 38.62 1xqy h TYR 81 CO 0.00 0.00 0.64 0.41 -1.64 0.00 0.00 178.16 177.57 1xqy n GLY 82 N 1.71 -0.72 0.00 1.82 0.00 -0.53 -0.68 105.19 106.79 1xqy n GLY 82 Ca -0.03 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1xqy n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xqy n VAL 83 N -4.81 0.00 -0.32 1.61 0.31 -0.77 -1.93 118.33 112.42 1xqy n VAL 83 Ca 0.36 1.48 0.08 0.00 -0.01 0.00 0.00 64.34 66.25 1xqy n VAL 83 Cb 1.30 -2.33 0.17 0.00 -0.91 0.00 0.00 33.84 32.06 1xqy n VAL 83 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xqy n GLU 84 N -2.23 -0.08 -0.07 5.55 -0.58 0.15 0.08 120.64 123.46 1xqy n GLU 84 Ca 0.00 1.39 -0.14 0.00 -0.42 0.00 0.00 57.16 57.99 1xqy n GLU 84 Cb 0.00 -2.12 -0.10 0.00 -0.57 0.00 0.00 31.44 28.66 1xqy n GLU 84 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1xqy h GLU 85 N 0.00 -0.45 -0.98 3.49 4.81 -1.13 1.19 114.58 121.50 1xqy h GLU 85 Ca 0.47 0.03 0.29 0.00 -0.13 0.00 0.00 59.36 60.02 1xqy h GLU 85 Cb 0.80 0.10 -0.14 0.00 0.63 0.00 0.00 28.75 30.14 1xqy h GLU 85 CO -0.91 -0.30 0.52 0.00 -0.73 0.00 0.00 179.01 177.59 1xqy h ALA 86 N -0.23 1.80 0.20 2.92 0.00 0.33 0.46 119.26 124.75 1xqy h ALA 86 Ca 0.05 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1xqy h ALA 86 Cb 0.61 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1xqy h ALA 86 CO -0.49 -0.49 -0.10 1.49 0.00 0.00 0.00 179.25 179.66 1xqy h GLU 87 N 0.36 -0.26 -1.10 0.00 4.57 -0.42 0.21 114.58 117.94 1xqy h GLU 87 Ca 0.68 0.02 0.43 0.00 -1.18 0.00 0.00 59.36 59.31 1xqy h GLU 87 Cb 1.48 0.06 -0.17 0.00 -0.16 0.00 0.00 28.75 29.96 1xqy h GLU 87 CO -0.58 -0.16 0.63 0.00 -1.18 0.00 0.00 179.01 177.72 1xqy h ALA 88 N -1.05 2.34 0.16 2.92 0.00 0.24 0.22 119.26 124.10 1xqy h ALA 88 Ca -0.03 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1xqy h ALA 88 Cb 0.23 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xqy h ALA 88 CO 0.05 -1.10 -0.08 1.25 0.00 0.00 0.00 179.25 179.37 1xqy h LEU 89 N 0.01 -0.18 -0.82 0.00 5.85 -0.13 -2.85 115.31 117.21 1xqy h LEU 89 Ca 0.85 0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.70 1xqy h LEU 89 Cb 2.39 0.05 -0.13 0.00 0.37 0.00 0.00 40.66 43.33 1xqy h LEU 89 CO -0.68 0.10 -0.43 -0.09 -0.34 0.00 0.00 178.44 177.00 1xqy h ARG 90 N -0.67 -0.09 -0.34 1.25 2.43 0.18 0.22 114.38 117.36 1xqy h ARG 90 Ca -0.02 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1xqy h ARG 90 Cb 0.16 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 1xqy h ARG 90 CO 0.04 -0.06 -0.00 0.66 -1.51 0.00 0.00 179.97 179.09 1xqy h SER 91 N -0.09 -0.14 0.14 -3.80 4.64 -0.84 0.19 113.55 113.64 1xqy h SER 91 Ca 0.25 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 1xqy h SER 91 Cb 0.55 0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1xqy h SER 91 CO -0.85 -0.03 -0.06 0.50 -0.87 0.00 0.00 176.83 175.52 1xqy h LYS 92 N 0.09 0.00 0.01 4.77 3.64 -0.70 0.59 116.57 124.97 1xqy h LYS 92 Ca 0.16 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1xqy h LYS 92 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1xqy h LYS 92 CO -0.28 0.06 -0.05 -0.07 -2.27 0.00 0.00 179.45 176.84 1xqy h LEU 93 N 0.00 0.04 -2.74 5.20 3.38 0.22 -3.42 115.31 117.99 1xqy h LEU 93 Ca -0.00 -0.90 -0.12 0.00 0.09 0.00 0.00 57.88 56.95 1xqy h LEU 93 Cb 0.15 -0.01 -0.26 0.00 0.09 0.00 0.00 40.66 40.63 1xqy h LEU 93 CO 0.01 0.93 -0.85 0.49 0.09 0.00 0.00 178.44 179.11 1xqy n PHE 94 N -4.62 0.00 -0.46 1.13 3.72 -0.23 -5.10 117.46 111.89 1xqy n PHE 94 Ca -0.10 -0.44 0.00 0.00 -0.05 0.00 0.00 57.45 56.86 1xqy n PHE 94 Cb 0.46 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 1xqy n PHE 94 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xqy n GLY 95 N 0.24 2.68 3.46 1.37 0.00 0.20 -3.77 105.19 109.36 1xqy n GLY 95 Ca 0.05 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1xqy n GLY 95 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xqy s ASN 96 N -4.00 6.22 -0.01 1.61 0.01 -1.26 -4.52 114.94 112.98 1xqy s ASN 96 Ca 0.00 -0.91 -0.11 0.00 -0.71 0.00 0.00 52.86 51.14 1xqy s ASN 96 Cb 0.00 -2.39 0.01 0.00 0.41 0.00 0.00 41.25 39.29 1xqy s ASN 96 CO 0.00 -1.26 0.22 -0.70 -1.51 0.00 0.00 177.10 173.84 1xqy s GLU 97 N 3.62 0.56 -0.30 -0.60 2.12 -1.25 -5.11 118.70 117.73 1xqy s GLU 97 Ca 0.21 -0.28 -0.29 0.00 0.36 0.00 0.00 54.97 54.98 1xqy s GLU 97 Cb -0.17 0.24 -0.01 0.00 0.26 0.00 0.00 34.13 34.44 1xqy s GLU 97 CO 0.12 -0.14 1.61 0.15 -0.54 0.00 0.00 175.26 176.45 1xqy s LYS 98 N -1.30 3.61 0.13 4.30 -0.14 -1.26 -4.88 119.74 120.20 1xqy s LYS 98 Ca -0.14 1.40 0.08 0.00 -1.36 0.00 0.00 55.97 55.95 1xqy s LYS 98 Cb -0.06 -4.07 -0.04 0.00 -1.68 0.00 0.00 37.83 31.98 1xqy s LYS 98 CO 0.03 -1.52 -0.19 0.14 -0.76 0.00 0.00 175.35 173.05 1xqy s VAL 99 N 5.73 1.72 0.21 3.17 -7.23 -1.26 -4.39 120.40 118.34 1xqy s VAL 99 Ca 0.71 -1.73 0.07 0.00 -1.81 0.00 0.00 61.98 59.22 1xqy s VAL 99 Cb -0.21 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1xqy s VAL 99 CO 0.31 -0.21 0.07 -0.36 -0.31 0.00 0.00 175.10 174.60 1xqy s PHE 100 N -1.65 2.93 0.08 2.82 0.08 0.19 -1.53 117.98 120.89 1xqy s PHE 100 Ca 0.11 -0.13 0.06 0.00 0.12 0.00 0.00 56.93 57.09 1xqy s PHE 100 Cb -0.08 -1.37 -0.03 0.00 -0.57 0.00 0.00 43.02 40.98 1xqy s PHE 100 CO 0.05 0.54 -0.17 -1.17 -0.10 0.00 0.00 175.22 174.38 1xqy s LEU 101 N -3.35 2.28 -0.30 -0.37 2.96 -1.15 0.15 118.68 118.89 1xqy s LEU 101 Ca 0.30 -0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1xqy s LEU 101 Cb -0.08 -0.65 0.12 0.00 0.50 0.00 0.00 46.19 46.07 1xqy s LEU 101 CO 0.21 -0.02 0.20 -0.32 -1.32 0.00 0.00 176.35 175.10 1xqy s MET 102 N -1.76 0.29 -0.19 1.98 -2.45 0.16 0.53 119.30 117.86 1xqy s MET 102 Ca 0.01 -0.51 -0.09 0.00 -1.25 0.00 0.00 55.69 53.85 1xqy s MET 102 Cb -0.10 -0.99 -0.05 0.00 1.25 0.00 0.00 34.83 34.94 1xqy s MET 102 CO 0.03 -1.05 0.12 0.20 1.05 0.00 0.00 175.02 175.37 1xqy s GLY 103 N 2.04 2.04 -0.22 2.11 0.00 -0.81 0.15 107.32 112.62 1xqy s GLY 103 Ca 0.10 -0.69 -0.10 0.00 0.00 0.00 0.00 44.72 44.03 1xqy s GLY 103 CO -0.30 0.05 0.15 -0.45 0.00 0.00 0.00 173.10 172.55 1xqy s SER 104 N 0.15 6.18 1.35 1.64 0.15 0.42 -2.72 113.70 120.87 1xqy s SER 104 Ca 0.08 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1xqy s SER 104 Cb -0.11 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1xqy s SER 104 CO -0.01 0.12 0.00 0.00 1.20 0.00 0.00 173.24 174.55 1xqy n ALA 105 N 3.87 0.00 -0.23 5.45 0.00 -1.20 -0.82 120.51 127.58 1xqy n ALA 105 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.26 1xqy n ALA 105 Cb 0.52 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.01 1xqy n ALA 105 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1xqy h TYR 106 N 0.00 -0.72 -0.39 0.00 -0.00 -1.87 0.77 116.97 114.76 1xqy h TYR 106 Ca 0.00 0.07 0.11 0.00 -0.00 0.00 0.00 58.73 58.92 1xqy h TYR 106 Cb 0.00 0.42 -0.02 0.00 -0.00 0.00 0.00 36.73 37.13 1xqy h TYR 106 CO 0.00 -0.36 0.40 0.78 -0.00 0.00 0.00 178.16 178.98 1xqy h GLY 107 N -0.09 0.00 0.53 1.82 0.00 -0.92 0.92 103.07 105.33 1xqy h GLY 107 Ca 0.29 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 1xqy h GLY 107 CO -0.73 0.00 -0.24 -1.33 0.00 0.00 0.00 176.54 174.24 1xqy h GLY 108 N 0.00 0.23 0.19 4.60 0.00 0.63 0.92 103.07 109.64 1xqy h GLY 108 Ca 0.19 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.19 1xqy h GLY 108 CO -0.00 0.32 -0.39 0.00 0.00 0.00 0.00 176.54 176.46 1xqy h ALA 109 N 0.34 -0.61 -0.11 3.60 0.00 0.19 0.89 119.26 123.56 1xqy h ALA 109 Ca -0.02 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xqy h ALA 109 Cb 0.94 0.69 -0.06 0.00 0.00 0.00 0.00 17.79 19.36 1xqy h ALA 109 CO 0.05 -0.92 -0.50 1.25 0.00 0.00 0.00 179.25 179.13 1xqy h LEU 110 N -0.55 -1.57 -1.00 0.00 5.85 0.03 0.40 115.31 118.47 1xqy h LEU 110 Ca 0.05 0.19 0.21 0.00 0.84 0.00 0.00 57.88 59.17 1xqy h LEU 110 Cb 0.63 0.62 -0.19 0.00 0.37 0.00 0.00 40.66 42.09 1xqy h LEU 110 CO -0.30 -0.48 -0.22 0.00 -0.34 0.00 0.00 178.44 177.10 1xqy n ALA 111 N -2.98 0.27 0.44 1.25 0.00 0.32 0.21 120.51 120.02 1xqy n ALA 111 Ca -0.06 1.09 -0.19 0.00 0.00 0.00 0.00 53.44 54.29 1xqy n ALA 111 Cb 0.38 -0.67 -0.09 0.00 0.00 0.00 0.00 19.45 19.07 1xqy n ALA 111 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1xqy h LEU 112 N 0.00 -0.93 -0.90 0.00 3.38 0.42 0.31 115.31 117.58 1xqy h LEU 112 Ca 0.49 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.73 1xqy h LEU 112 Cb 0.78 0.24 -0.16 0.00 0.09 0.00 0.00 40.66 41.62 1xqy h LEU 112 CO -1.02 -0.64 0.09 0.00 0.09 0.00 0.00 178.44 176.97 1xqy h ALA 113 N -1.01 1.14 -0.15 1.53 0.00 0.36 0.88 119.26 122.01 1xqy h ALA 113 Ca -0.11 0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1xqy h ALA 113 Cb 0.85 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xqy h ALA 113 CO 0.19 -0.52 -0.03 -0.92 0.00 0.00 0.00 179.25 177.97 1xqy h TYR 114 N 0.09 0.32 -1.05 0.00 3.20 0.09 -2.99 116.97 116.63 1xqy h TYR 114 Ca 0.55 -0.07 0.28 0.00 3.14 0.00 0.00 58.73 62.63 1xqy h TYR 114 Cb 1.11 -0.08 -0.12 0.00 1.54 0.00 0.00 36.73 39.18 1xqy h TYR 114 CO -0.40 0.55 0.64 0.00 -1.64 0.00 0.00 178.16 177.32 1xqy h ALA 115 N 0.72 2.08 0.06 1.82 0.00 0.47 -1.84 119.26 122.57 1xqy h ALA 115 Ca 0.04 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xqy h ALA 115 Cb 0.44 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xqy h ALA 115 CO 0.01 -0.56 -0.03 0.28 0.00 0.00 0.00 179.25 178.96 1xqy h VAL 116 N 0.43 1.00 0.00 0.00 2.07 -1.00 -3.04 116.25 115.71 1xqy h VAL 116 Ca 0.65 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.97 1xqy h VAL 116 Cb 1.52 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1xqy h VAL 116 CO -0.41 0.05 0.00 1.17 0.02 0.00 0.00 177.57 178.40 1xqy n LYS 117 N -5.08 0.00 -1.61 1.57 4.81 -0.75 -4.28 118.16 112.82 1xqy n LYS 117 Ca -0.08 0.44 -0.35 0.00 -0.87 0.00 0.00 58.31 57.46 1xqy n LYS 117 Cb 0.10 -0.96 -0.04 0.00 0.02 0.00 0.00 35.03 34.15 1xqy n LYS 117 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1xqy n TYR 118 N -1.82 2.11 0.14 5.64 4.01 -0.86 -4.38 117.16 122.00 1xqy n TYR 118 Ca 0.00 -2.62 -0.01 0.00 -0.16 0.00 0.00 57.90 55.11 1xqy n TYR 118 Cb 0.00 -1.93 0.16 0.00 -0.31 0.00 0.00 39.34 37.26 1xqy n TYR 118 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1xqy h GLN 119 N 4.28 0.00 0.00 -0.72 4.15 -1.69 -3.08 115.11 118.05 1xqy h GLN 119 Ca 0.65 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.07 1xqy h GLN 119 Cb 0.49 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1xqy h GLN 119 CO 1.33 0.62 0.00 -3.47 -1.93 0.00 0.00 178.83 175.39 1xqy n ASP 120 N -3.71 0.00 -1.10 -0.69 2.03 -1.26 -1.14 116.55 110.67 1xqy n ASP 120 Ca -0.01 0.03 -0.02 0.00 0.52 0.00 0.00 54.79 55.31 1xqy n ASP 120 Cb 0.64 -0.03 0.14 0.00 -0.72 0.00 0.00 41.12 41.15 1xqy n ASP 120 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1xqy n HIS 121 N -1.01 0.75 -4.22 -0.67 -0.00 -1.16 -5.06 115.22 103.85 1xqy n HIS 121 Ca 0.00 -1.63 -0.19 0.00 -0.00 0.00 0.00 57.72 55.89 1xqy n HIS 121 Cb 0.00 -0.27 -0.12 0.00 -0.00 0.00 0.00 29.99 29.60 1xqy n HIS 121 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1xqy s LEU 122 N -3.10 2.26 -0.07 2.41 1.43 -0.29 -4.28 118.68 117.03 1xqy s LEU 122 Ca 0.41 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1xqy s LEU 122 Cb 0.38 -0.59 -0.07 0.00 0.03 0.00 0.00 46.19 45.95 1xqy s LEU 122 CO -0.05 -0.04 -0.02 0.29 0.23 0.00 0.00 176.35 176.76 1xqy n LYS 123 N 1.36 1.67 -3.82 1.70 4.76 -0.58 -4.85 118.16 118.39 1xqy n LYS 123 Ca -0.20 0.02 -0.08 0.00 -2.87 0.00 0.00 58.31 55.18 1xqy n LYS 123 Cb 0.54 -1.16 -0.02 0.00 -1.84 0.00 0.00 35.03 32.55 1xqy n LYS 123 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1xqy s GLY 124 N -4.24 -0.09 -0.27 0.72 0.00 -1.26 -4.41 107.32 97.77 1xqy s GLY 124 Ca -0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 44.72 44.36 1xqy s GLY 124 CO 0.22 -0.12 0.28 -2.27 0.00 0.00 0.00 173.10 171.21 1xqy s LEU 125 N -2.91 -0.18 -0.24 0.66 2.96 -1.23 -2.94 118.68 114.80 1xqy s LEU 125 Ca 0.11 -0.67 -0.14 0.00 -0.22 0.00 0.00 54.13 53.20 1xqy s LEU 125 Cb -0.05 0.45 -0.04 0.00 0.50 0.00 0.00 46.19 47.05 1xqy s LEU 125 CO 0.05 -0.38 0.34 -0.63 -1.32 0.00 0.00 176.35 174.41 1xqy s ILE 126 N 2.34 5.22 -0.13 6.68 1.01 0.19 -1.32 121.20 135.19 1xqy s ILE 126 Ca 0.09 0.54 -0.01 0.00 0.00 0.00 0.00 60.65 61.28 1xqy s ILE 126 Cb -0.14 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 1xqy s ILE 126 CO -0.29 0.23 -0.11 -0.69 0.00 0.00 0.00 174.94 174.08 1xqy s VAL 127 N 1.56 3.24 -0.76 2.92 1.01 0.30 -1.93 120.40 126.74 1xqy s VAL 127 Ca 0.15 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1xqy s VAL 127 Cb -0.15 -2.37 0.18 0.00 0.00 0.00 0.00 36.38 34.04 1xqy s VAL 127 CO 0.08 0.52 0.58 -0.44 0.00 0.00 0.00 175.10 175.84 1xqy s SER 128 N 0.29 5.24 -0.36 3.32 0.01 -1.10 -0.42 113.70 120.67 1xqy s SER 128 Ca -0.08 -3.73 -0.00 0.00 1.31 0.00 0.00 55.95 53.45 1xqy s SER 128 Cb -0.15 -1.74 -0.00 0.00 0.21 0.00 0.00 66.02 64.33 1xqy s SER 128 CO 0.05 -0.14 0.30 0.61 0.41 0.00 0.00 173.24 174.47 1xqy n GLY 129 N 2.21 0.20 0.00 3.44 0.00 0.45 -3.20 105.19 108.29 1xqy n GLY 129 Ca 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1xqy n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xqy n GLY 130 N -1.05 1.57 3.68 -0.02 0.00 -1.26 -3.28 105.19 104.83 1xqy n GLY 130 Ca -0.09 -2.02 -0.08 0.00 0.00 0.00 0.00 46.02 43.84 1xqy n GLY 130 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xqy s LEU 131 N 0.00 -0.34 0.00 0.99 2.34 -1.26 -4.60 118.68 115.81 1xqy s LEU 131 Ca 0.00 -0.34 0.00 0.00 0.06 0.00 0.00 54.13 53.85 1xqy s LEU 131 Cb 0.00 2.51 0.00 0.00 -0.56 0.00 0.00 46.19 48.14 1xqy s LEU 131 CO 0.00 -1.08 0.00 -1.54 -1.06 0.00 0.00 176.35 172.67 1xqy n SER 132 N -0.42 3.74 -3.96 1.48 3.41 -1.26 -3.74 113.62 112.87 1xqy n SER 132 Ca -0.08 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.22 1xqy n SER 132 Cb 0.61 0.44 -0.15 0.00 -0.26 0.00 0.00 64.21 64.86 1xqy n SER 132 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1xqy s SER 133 N -2.32 4.61 0.11 4.04 0.15 -1.26 -1.52 113.70 117.51 1xqy s SER 133 Ca 0.00 -2.12 -0.34 0.00 0.70 0.00 0.00 55.95 54.19 1xqy s SER 133 Cb 0.00 -1.49 -0.14 0.00 -1.71 0.00 0.00 66.02 62.68 1xqy s SER 133 CO 0.00 -0.38 1.56 0.58 1.20 0.00 0.00 173.24 176.20 1xqy h VAL 134 N 6.52 0.02 -0.99 4.45 2.07 -1.65 -1.95 116.25 124.71 1xqy h VAL 134 Ca -0.06 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.72 1xqy h VAL 134 Cb 1.01 0.02 -0.19 0.00 -1.52 0.00 0.00 31.29 30.61 1xqy h VAL 134 CO 0.52 0.00 -0.03 -2.65 0.02 0.00 0.00 177.57 175.43 1xqy n PRO 135 N -5.48 -0.08 0.16 1.57 -0.02 -1.25 -0.09 135.00 129.81 1xqy n PRO 135 Ca -0.08 1.50 -0.14 0.00 -2.02 0.00 0.00 63.50 62.76 1xqy n PRO 135 Cb 0.41 -2.35 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 1xqy n PRO 135 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xqy h LEU 136 N 0.00 -0.31 -0.61 2.45 5.85 -1.74 0.24 115.31 121.19 1xqy h LEU 136 Ca 0.58 0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.44 1xqy h LEU 136 Cb 1.14 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 42.15 1xqy h LEU 136 CO -0.95 -0.21 -0.05 0.74 -0.34 0.00 0.00 178.44 177.63 1xqy h THR 137 N -0.34 0.46 0.64 1.05 2.02 0.13 0.88 112.91 117.75 1xqy h THR 137 Ca -0.03 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1xqy h THR 137 Cb 0.27 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1xqy h THR 137 CO 0.04 0.01 -0.40 0.58 0.37 0.00 0.00 175.52 176.13 1xqy h VAL 138 N 0.08 0.20 -0.91 3.16 2.07 -0.57 -0.94 116.25 119.33 1xqy h VAL 138 Ca 0.31 0.00 0.26 0.00 0.82 0.00 0.00 66.70 68.09 1xqy h VAL 138 Cb 0.50 0.20 -0.15 0.00 -1.52 0.00 0.00 31.29 30.32 1xqy h VAL 138 CO -0.56 0.00 0.26 0.50 0.02 0.00 0.00 177.57 177.79 1xqy h LYS 139 N -0.98 0.17 -0.19 1.57 3.64 0.48 0.31 116.57 121.57 1xqy h LYS 139 Ca -0.08 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 1xqy h LYS 139 Cb 0.80 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1xqy h LYS 139 CO 0.08 0.11 -0.35 0.93 -2.27 0.00 0.00 179.45 177.95 1xqy h GLU 140 N 0.17 0.42 -0.49 1.90 4.39 -0.22 -2.99 114.58 117.76 1xqy h GLU 140 Ca 0.60 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 60.03 1xqy h GLU 140 Cb 1.26 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 1xqy h GLU 140 CO -0.70 0.72 -0.03 0.52 -1.16 0.00 0.00 179.01 178.36 1xqy h MET 141 N 0.35 0.84 -0.17 2.33 2.86 0.96 -2.49 114.93 119.61 1xqy h MET 141 Ca 0.04 -0.25 0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1xqy h MET 141 Cb 0.79 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.30 1xqy h MET 141 CO 0.06 0.86 -0.31 -0.91 1.06 0.00 0.00 176.91 177.68 1xqy h ASN 142 N 0.77 -0.97 -0.82 1.22 2.35 -1.27 0.54 115.58 117.42 1xqy h ASN 142 Ca 0.14 0.15 0.14 0.00 -0.55 0.00 0.00 56.30 56.18 1xqy h ASN 142 Cb 0.51 0.42 -0.14 0.00 0.05 0.00 0.00 38.32 39.16 1xqy h ASN 142 CO 0.03 -0.34 -0.33 -0.09 -1.65 0.00 0.00 177.43 175.04 1xqy h ARG 143 N -0.36 -0.06 0.00 0.81 2.43 -1.48 1.14 114.38 116.86 1xqy h ARG 143 Ca 0.11 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1xqy h ARG 143 Cb 0.53 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1xqy h ARG 143 CO -0.37 -0.04 -0.28 -0.07 -1.51 0.00 0.00 179.97 177.70 1xqy h LEU 144 N -0.06 -0.85 -0.76 3.80 3.38 0.14 0.17 115.31 121.12 1xqy h LEU 144 Ca 0.32 0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.54 1xqy h LEU 144 Cb 0.59 0.32 -0.14 0.00 0.09 0.00 0.00 40.66 41.52 1xqy h LEU 144 CO -0.85 -0.27 -0.18 0.40 0.09 0.00 0.00 178.44 177.63 1xqy h ILE 145 N -0.35 0.25 -0.56 1.22 2.04 0.41 0.47 117.51 120.98 1xqy h ILE 145 Ca 0.01 -0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.97 1xqy h ILE 145 Cb 0.37 0.24 -0.08 0.00 -0.74 0.00 0.00 36.82 36.61 1xqy h ILE 145 CO -0.18 0.00 0.10 0.44 0.00 0.00 0.00 178.15 178.50 1xqy h ASP 146 N 0.01 -0.04 0.10 1.72 3.32 0.23 0.44 116.42 122.19 1xqy h ASP 146 Ca 0.37 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.52 1xqy h ASP 146 Cb 0.57 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 1xqy h ASP 146 CO -0.78 -0.00 -0.03 -0.33 -1.72 0.00 0.00 179.24 176.39 1xqy h GLU 147 N 0.23 0.00 -7.15 3.56 5.08 0.28 -3.43 114.58 113.15 1xqy h GLU 147 Ca 0.29 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.11 1xqy h GLU 147 Cb 0.42 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.85 1xqy h GLU 147 CO -0.39 0.03 0.33 -0.11 -1.00 0.00 0.00 179.01 177.86 1xqy n LEU 148 N -3.65 4.57 -4.70 1.33 7.94 0.15 -4.89 117.00 117.75 1xqy n LEU 148 Ca -0.03 0.64 -0.42 0.00 -1.11 0.00 0.00 56.01 55.09 1xqy n LEU 148 Cb 0.12 -1.50 -0.03 0.00 0.53 0.00 0.00 43.42 42.54 1xqy n LEU 148 CO 0.27 -1.63 1.24 -2.16 -1.11 0.00 0.00 177.39 174.00 1xqy s PRO 149 N -3.87 4.23 0.00 1.96 0.04 -1.26 -4.47 135.00 131.63 1xqy s PRO 149 Ca 0.75 2.27 0.00 0.00 0.04 0.00 0.00 61.00 64.06 1xqy s PRO 149 Cb -0.31 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 30.82 1xqy s PRO 149 CO 0.49 -0.64 0.00 0.00 0.04 0.00 0.00 177.00 176.89 1xqy n ALA 150 N 4.84 0.00 -0.35 8.56 0.00 -1.26 0.24 120.51 132.54 1xqy n ALA 150 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.61 1xqy n ALA 150 Cb 0.40 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.94 1xqy n ALA 150 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xqy n LYS 151 N -3.08 -0.16 0.04 0.00 4.81 -1.26 0.71 118.16 119.22 1xqy n LYS 151 Ca 0.00 1.46 -0.22 0.00 -0.87 0.00 0.00 58.31 58.67 1xqy n LYS 151 Cb 0.00 -2.17 -0.14 0.00 0.02 0.00 0.00 35.03 32.74 1xqy n LYS 151 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1xqy h TYR 152 N 0.00 0.60 -0.51 5.64 -1.99 -0.56 -2.82 116.97 117.33 1xqy h TYR 152 Ca 0.39 -0.44 0.15 0.00 2.00 0.00 0.00 58.73 60.83 1xqy h TYR 152 Cb 0.62 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.31 1xqy h TYR 152 CO -0.78 1.66 0.45 -0.09 -0.00 0.00 0.00 178.16 179.41 1xqy h ARG 153 N -0.02 0.00 0.05 4.88 2.43 -0.77 -0.21 114.38 120.73 1xqy h ARG 153 Ca -0.35 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.51 1xqy h ARG 153 Cb 1.99 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.50 1xqy h ARG 153 CO 0.13 0.00 -1.78 -0.44 -1.51 0.00 0.00 179.97 176.37 1xqy h ASP 154 N 0.00 0.16 -0.07 -3.80 5.19 0.21 -3.34 116.42 114.77 1xqy h ASP 154 Ca 0.24 -0.35 -0.02 0.00 -0.62 0.00 0.00 57.03 56.28 1xqy h ASP 154 Cb 1.14 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.59 1xqy h ASP 154 CO -0.00 1.31 -0.02 0.00 -3.12 0.00 0.00 179.24 177.41 1xqy h ALA 155 N 0.66 0.10 0.35 3.45 0.00 -0.81 -2.46 119.26 120.55 1xqy h ALA 155 Ca -0.32 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1xqy h ALA 155 Cb 2.02 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.75 1xqy h ALA 155 CO 0.09 -0.17 -0.45 0.82 0.00 0.00 0.00 179.25 179.54 1xqy h ILE 156 N -0.20 0.11 -0.77 0.00 2.04 -1.44 -0.21 117.51 117.04 1xqy h ILE 156 Ca 0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.94 1xqy h ILE 156 Cb 0.43 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 1xqy h ILE 156 CO 0.01 0.00 0.45 0.11 0.00 0.00 0.00 178.15 178.72 1xqy h LYS 157 N -0.84 0.79 0.00 2.37 1.57 -1.68 0.50 116.57 119.28 1xqy h LYS 157 Ca -0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xqy h LYS 157 Cb 0.77 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1xqy h LYS 157 CO -0.12 0.53 0.00 1.17 -0.57 0.00 0.00 179.45 180.46 1xqy n LYS 158 N -4.71 0.00 0.27 3.15 4.81 -0.92 -0.66 118.16 120.10 1xqy n LYS 158 Ca 0.11 0.27 0.11 0.00 -0.87 0.00 0.00 58.31 57.93 1xqy n LYS 158 Cb 0.19 -1.22 0.72 0.00 0.02 0.00 0.00 35.03 34.75 1xqy n LYS 158 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1xqy h TYR 159 N 0.00 0.00 -0.37 5.64 -1.99 -1.10 -1.73 116.97 117.42 1xqy h TYR 159 Ca 0.00 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 1xqy h TYR 159 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 1xqy h TYR 159 CO 0.05 0.05 -0.02 0.78 -0.00 0.00 0.00 178.16 179.03 1xqy h GLY 160 N 0.22 0.71 -1.99 3.88 0.00 0.03 -1.57 103.07 104.35 1xqy h GLY 160 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1xqy h GLY 160 CO 0.01 0.49 0.00 1.44 0.00 0.00 0.00 176.54 178.48 1xqy n SER 161 N -4.47 2.12 0.00 0.19 7.64 0.17 -2.84 113.62 116.43 1xqy n SER 161 Ca -0.02 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.45 1xqy n SER 161 Cb 0.29 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1xqy n SER 161 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xqy n SER 162 N 0.64 0.00 0.00 6.43 3.41 -1.04 -5.02 113.62 118.03 1xqy n SER 162 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1xqy n SER 162 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1xqy n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xqy n GLY 163 N 0.00 0.71 2.25 5.00 0.00 -0.67 -4.94 105.19 107.55 1xqy n GLY 163 Ca 0.00 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 1xqy n GLY 163 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xqy n SER 164 N 0.19 6.55 0.24 1.61 2.88 -0.74 -4.45 113.62 119.90 1xqy n SER 164 Ca 0.00 -2.78 0.08 0.00 -1.33 0.00 0.00 58.87 54.84 1xqy n SER 164 Cb 0.00 -1.39 0.59 0.00 -0.75 0.00 0.00 64.21 62.66 1xqy n SER 164 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1xqy h TYR 165 N 3.55 0.00 0.00 0.66 -1.99 -1.92 -1.14 116.97 116.13 1xqy h TYR 165 Ca 0.43 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 61.08 1xqy h TYR 165 Cb 0.93 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.65 1xqy h TYR 165 CO 1.70 0.13 -0.40 1.05 -0.00 0.00 0.00 178.16 180.64 1xqy h GLU 166 N 0.00 0.00 -5.58 4.88 9.09 -1.97 -3.42 114.58 117.58 1xqy h GLU 166 Ca -0.00 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 58.80 1xqy h GLU 166 Cb 0.25 0.00 0.11 0.00 -1.65 0.00 0.00 28.75 27.46 1xqy h GLU 166 CO 0.02 0.40 -0.58 -1.71 0.05 0.00 0.00 179.01 177.18 1xqy n ASN 167 N -3.59 -1.50 0.09 3.06 5.15 -0.43 -4.80 115.26 113.23 1xqy n ASN 167 Ca -0.00 0.99 -0.13 0.00 -0.60 0.00 0.00 54.58 54.83 1xqy n ASN 167 Cb 0.51 -0.87 -0.08 0.00 -0.53 0.00 0.00 39.78 38.81 1xqy n ASN 167 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1xqy h PRO 168 N 0.79 -0.22 -0.16 1.20 0.13 -1.88 -2.84 132.00 129.01 1xqy h PRO 168 Ca -0.28 0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.91 1xqy h PRO 168 Cb 1.34 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 1xqy h PRO 168 CO 0.51 0.11 0.25 0.93 -0.23 0.00 0.00 178.00 179.57 1xqy h GLU 169 N -0.58 0.00 0.13 0.86 5.08 -1.96 -0.48 114.58 117.63 1xqy h GLU 169 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1xqy h GLU 169 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1xqy h GLU 169 CO 0.04 0.00 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.07 1xqy h TYR 170 N 0.00 -0.17 -0.80 4.33 3.20 -1.84 -3.16 116.97 118.53 1xqy h TYR 170 Ca 0.08 -0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.11 1xqy h TYR 170 Cb 0.58 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 1xqy h TYR 170 CO 0.00 0.28 0.54 1.96 -1.64 0.00 0.00 178.16 179.30 1xqy h GLN 171 N -0.90 0.39 -0.73 1.82 4.20 -0.97 0.13 115.11 119.05 1xqy h GLN 171 Ca -0.02 -0.02 0.16 0.00 0.06 0.00 0.00 58.65 58.82 1xqy h GLN 171 Cb 0.52 -0.09 -0.11 0.00 0.30 0.00 0.00 27.48 28.10 1xqy h GLN 171 CO 0.03 0.26 0.19 1.49 -0.67 0.00 0.00 178.83 180.14 1xqy h GLU 172 N 0.41 0.29 0.28 1.46 4.81 -1.11 -0.25 114.58 120.47 1xqy h GLU 172 Ca 0.40 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1xqy h GLU 172 Cb 0.97 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1xqy h GLU 172 CO -0.13 0.19 -0.14 0.00 -0.73 0.00 0.00 179.01 178.20 1xqy h ALA 173 N 1.59 -0.38 -0.58 2.92 0.00 -0.79 -3.07 119.26 118.96 1xqy h ALA 173 Ca 0.41 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1xqy h ALA 173 Cb 0.69 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1xqy h ALA 173 CO -0.49 -0.42 -0.34 0.28 0.00 0.00 0.00 179.25 178.29 1xqy n VAL 174 N -5.04 -0.39 -0.00 0.00 0.31 -0.76 0.13 118.33 112.58 1xqy n VAL 174 Ca -0.07 1.94 -0.09 0.00 -0.01 0.00 0.00 64.34 66.10 1xqy n VAL 174 Cb 0.24 -2.45 -0.03 0.00 -0.91 0.00 0.00 33.84 30.69 1xqy n VAL 174 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1xqy h ASN 175 N 0.00 -0.31 -0.93 4.52 -0.73 -1.20 0.39 115.58 117.31 1xqy h ASN 175 Ca 0.09 0.07 0.09 0.00 1.87 0.00 0.00 56.30 58.42 1xqy h ASN 175 Cb 0.24 0.16 -0.07 0.00 0.27 0.00 0.00 38.32 38.92 1xqy h ASN 175 CO -0.54 -0.13 0.60 0.22 -0.37 0.00 0.00 177.43 177.20 1xqy h TYR 176 N -0.11 1.05 0.11 0.67 3.20 -1.02 -0.86 116.97 120.01 1xqy h TYR 176 Ca 0.08 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1xqy h TYR 176 Cb 0.23 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1xqy h TYR 176 CO -0.22 0.50 -0.05 0.35 -1.64 0.00 0.00 178.16 177.09 1xqy h PHE 177 N 0.98 -0.14 -0.93 -3.82 3.04 0.25 -2.81 116.94 113.51 1xqy h PHE 177 Ca 0.42 -0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.52 1xqy h PHE 177 Cb 0.34 0.05 -0.08 0.00 2.56 0.00 0.00 35.95 38.82 1xqy h PHE 177 CO -0.00 0.05 0.59 1.88 -2.02 0.00 0.00 178.31 178.81 1xqy h TYR 178 N -0.31 0.91 0.00 0.41 -1.99 0.61 0.85 116.97 117.45 1xqy h TYR 178 Ca -0.02 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1xqy h TYR 178 Cb 0.25 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.70 1xqy h TYR 178 CO -0.02 0.33 0.00 0.72 -0.00 0.00 0.00 178.16 179.18 1xqy n HIS 179 N -4.59 0.00 0.00 4.88 8.25 -0.41 -0.26 115.22 123.09 1xqy n HIS 179 Ca 0.18 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1xqy n HIS 179 Cb 0.46 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1xqy n HIS 179 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1xqy n GLN 180 N 0.15 0.87 0.00 -0.41 -0.06 0.29 -4.57 117.38 113.65 1xqy n GLN 180 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1xqy n GLN 180 Cb 0.26 -0.62 0.00 0.00 -4.06 0.00 0.00 30.24 25.82 1xqy n GLN 180 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1xqy n HIS 181 N -0.96 0.00 -0.07 3.69 8.25 -0.66 -4.83 115.22 120.63 1xqy n HIS 181 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1xqy n HIS 181 Cb 0.12 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.20 1xqy n HIS 181 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1xqy n LEU 182 N -0.92 1.76 -3.93 2.41 7.94 -0.43 -0.96 117.00 122.88 1xqy n LEU 182 Ca 0.00 0.29 -0.29 0.00 -1.11 0.00 0.00 56.01 54.90 1xqy n LEU 182 Cb 0.00 -0.67 -0.16 0.00 0.53 0.00 0.00 43.42 43.12 1xqy n LEU 182 CO 0.00 -0.20 -0.44 -0.22 -1.11 0.00 0.00 177.39 175.42 1xqy s LEU 183 N -7.65 1.78 0.00 -1.96 0.20 0.64 -1.39 118.68 110.30 1xqy s LEU 183 Ca -0.25 -0.70 0.00 0.00 0.69 0.00 0.00 54.13 53.87 1xqy s LEU 183 Cb 0.05 -1.01 0.00 0.00 -0.43 0.00 0.00 46.19 44.80 1xqy s LEU 183 CO 0.36 -0.16 0.00 0.54 -0.29 0.00 0.00 176.35 176.80 1xqy n ARG 184 N 4.82 1.52 -1.52 1.98 5.12 -1.26 -3.62 116.66 123.71 1xqy n ARG 184 Ca -0.13 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.65 1xqy n ARG 184 Cb 0.48 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.67 1xqy n ARG 184 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1xqy n SER 185 N 0.00 0.79 0.00 0.55 7.64 -1.26 -4.74 113.62 116.60 1xqy n SER 185 Ca 0.00 -1.46 0.00 0.00 1.01 0.00 0.00 58.87 58.42 1xqy n SER 185 Cb 0.00 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 61.83 1xqy n SER 185 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1xqy n GLU 186 N 7.73 -0.80 -4.59 1.43 0.00 -1.26 -5.14 120.64 118.01 1xqy n GLU 186 Ca 0.47 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 57.31 1xqy n GLU 186 Cb 0.38 0.00 -0.16 0.00 0.00 0.00 0.00 31.44 31.66 1xqy n GLU 186 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 1xqy s ASP 187 N -4.00 3.11 -0.12 -1.84 1.47 -1.26 -5.10 116.67 108.93 1xqy s ASP 187 Ca 0.00 -0.61 -0.38 0.00 1.18 0.00 0.00 52.55 52.74 1xqy s ASP 187 Cb 0.00 -1.45 -0.15 0.00 -0.34 0.00 0.00 42.92 40.98 1xqy s ASP 187 CO 0.00 0.07 1.64 0.79 0.68 0.00 0.00 175.17 178.35 1xqy n TRP 188 N 4.15 1.96 -1.74 2.11 7.02 -1.26 -4.95 117.44 124.72 1xqy n TRP 188 Ca -0.20 0.47 -0.31 0.00 -1.02 0.00 0.00 57.50 56.44 1xqy n TRP 188 Cb 0.51 -2.46 0.03 0.00 -2.42 0.00 0.00 31.31 26.97 1xqy n TRP 188 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1xqy s PRO 189 N 2.57 3.25 0.10 -0.99 0.04 -1.26 -4.87 135.00 133.83 1xqy s PRO 189 Ca 0.92 0.89 -0.31 0.00 0.04 0.00 0.00 61.00 62.55 1xqy s PRO 189 Cb -0.96 -2.03 -0.13 0.00 0.04 0.00 0.00 34.50 31.43 1xqy s PRO 189 CO 0.56 -0.85 1.49 -1.35 0.04 0.00 0.00 177.00 176.89 1xqy h PRO 190 N -0.44 -0.60 -0.99 0.56 0.11 -1.99 -2.29 132.00 126.38 1xqy h PRO 190 Ca -0.44 0.04 0.19 0.00 0.11 0.00 0.00 66.00 65.90 1xqy h PRO 190 Cb 1.20 0.14 -0.18 0.00 0.11 0.00 0.00 31.00 32.27 1xqy h PRO 190 CO 0.59 -0.40 -0.28 0.39 -0.21 0.00 0.00 178.00 178.09 1xqy n GLU 191 N -5.13 -0.13 0.47 1.05 4.71 -1.26 -1.41 120.64 118.94 1xqy n GLU 191 Ca -0.07 1.54 -0.18 0.00 -0.01 0.00 0.00 57.16 58.43 1xqy n GLU 191 Cb 0.36 -2.29 -0.09 0.00 -1.01 0.00 0.00 31.44 28.41 1xqy n GLU 191 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1xqy h VAL 192 N 0.00 0.00 -0.25 2.62 2.07 -1.64 -2.99 116.25 116.06 1xqy h VAL 192 Ca 0.44 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.90 1xqy h VAL 192 Cb 0.69 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1xqy h VAL 192 CO -1.01 0.00 -0.15 0.18 0.02 0.00 0.00 177.57 176.62 1xqy n LEU 193 N -5.44 -0.26 -0.27 2.57 4.77 -0.50 0.72 117.00 118.58 1xqy n LEU 193 Ca -0.15 0.99 0.07 0.00 -0.03 0.00 0.00 56.01 56.89 1xqy n LEU 193 Cb 0.47 -0.33 0.19 0.00 -2.33 0.00 0.00 43.42 41.43 1xqy n LEU 193 CO 0.36 -0.63 0.86 0.50 -1.33 0.00 0.00 177.39 177.15 1xqy h LYS 194 N 0.00 0.14 0.00 3.23 3.64 -1.57 0.70 116.57 122.71 1xqy h LYS 194 Ca 0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1xqy h LYS 194 Cb 0.10 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1xqy h LYS 194 CO -0.23 0.09 0.00 0.43 -2.27 0.00 0.00 179.45 177.47 1xqy n SER 195 N -5.30 0.00 -0.32 4.20 7.64 0.22 -0.63 113.62 119.43 1xqy n SER 195 Ca 0.16 0.73 0.19 0.00 1.01 0.00 0.00 58.87 60.95 1xqy n SER 195 Cb 0.52 -0.23 0.39 0.00 -1.01 0.00 0.00 64.21 63.88 1xqy n SER 195 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1xqy h LEU 196 N 0.00 0.40 -0.56 -3.43 3.38 -0.67 0.94 115.31 115.37 1xqy h LEU 196 Ca 0.00 0.18 0.11 0.00 0.09 0.00 0.00 57.88 58.26 1xqy h LEU 196 Cb 0.00 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 1xqy h LEU 196 CO 0.00 -0.08 0.04 -0.08 0.09 0.00 0.00 178.44 178.42 1xqy h GLU 197 N 0.36 0.16 -0.30 1.13 4.81 0.93 -1.19 114.58 120.47 1xqy h GLU 197 Ca 0.65 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.94 1xqy h GLU 197 Cb 1.37 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.63 1xqy h GLU 197 CO -0.58 0.10 -0.32 1.88 -0.73 0.00 0.00 179.01 179.36 1xqy h TYR 198 N 0.16 -0.88 -0.75 0.92 0.05 0.33 -1.52 116.97 115.29 1xqy h TYR 198 Ca 0.29 0.05 0.17 0.00 0.05 0.00 0.00 58.73 59.29 1xqy h TYR 198 Cb 0.45 0.43 -0.12 0.00 1.01 0.00 0.00 36.73 38.50 1xqy h TYR 198 CO -0.30 -0.38 0.14 0.00 -1.05 0.00 0.00 178.16 176.57 1xqy h ALA 199 N 0.64 0.93 0.00 3.88 0.00 -1.01 0.48 119.26 124.19 1xqy h ALA 199 Ca 0.14 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1xqy h ALA 199 Cb 0.53 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xqy h ALA 199 CO -0.46 -0.37 0.00 -1.91 0.00 0.00 0.00 179.25 176.51 1xqy n GLU 200 N -5.20 0.97 0.00 0.00 2.13 -0.58 -2.95 120.64 115.01 1xqy n GLU 200 Ca 0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1xqy n GLU 200 Cb 0.48 -1.02 0.00 0.00 0.27 0.00 0.00 31.44 31.17 1xqy n GLU 200 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1xqy n ARG 201 N 0.65 0.32 -2.20 5.31 0.63 0.13 -5.04 116.66 116.47 1xqy n ARG 201 Ca 0.00 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.65 1xqy n ARG 201 Cb 0.48 -0.23 0.04 0.00 0.45 0.00 0.00 32.46 33.21 1xqy n ARG 201 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1xqy s ARG 202 N -0.88 2.78 0.22 -0.14 1.81 0.78 -4.99 118.95 118.53 1xqy s ARG 202 Ca 0.00 0.11 0.26 0.00 -1.72 0.00 0.00 55.73 54.38 1xqy s ARG 202 Cb 0.00 -2.17 0.73 0.00 -0.45 0.00 0.00 34.95 33.06 1xqy s ARG 202 CO 0.00 -0.90 1.72 -0.97 -0.68 0.00 0.00 175.30 174.48 1xqy h ASN 203 N -0.40 0.00 0.00 0.23 -0.73 -1.87 -3.40 115.58 109.41 1xqy h ASN 203 Ca -0.45 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.70 1xqy h ASN 203 Cb 1.26 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.85 1xqy h ASN 203 CO 0.62 0.01 0.00 0.52 -0.37 0.00 0.00 177.43 178.21 1xqy n VAL 204 N -2.32 0.00 0.26 2.57 0.31 -1.26 -2.92 118.33 114.97 1xqy n VAL 204 Ca 0.05 0.82 0.11 0.00 -0.01 0.00 0.00 64.34 65.31 1xqy n VAL 204 Cb 0.44 -1.63 0.43 0.00 -0.91 0.00 0.00 33.84 32.16 1xqy n VAL 204 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1xqy h TYR 205 N 0.00 0.00 0.07 3.52 3.20 -1.78 0.50 116.97 122.47 1xqy h TYR 205 Ca 0.00 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.60 1xqy h TYR 205 Cb 0.00 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.29 1xqy h TYR 205 CO 0.07 0.00 -1.12 -0.09 -1.64 0.00 0.00 178.16 175.38 1xqy h ARG 206 N 0.00 0.52 0.00 1.82 2.43 -1.77 -1.24 114.38 116.14 1xqy h ARG 206 Ca 0.07 -0.65 -0.33 0.00 -0.81 0.00 0.00 59.98 58.26 1xqy h ARG 206 Cb 1.50 0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 31.20 1xqy h ARG 206 CO -0.00 1.26 -2.19 -0.89 -1.51 0.00 0.00 179.97 176.65 1xqy n ILE 207 N -3.75 1.18 1.14 1.20 5.41 0.15 -4.34 119.36 120.36 1xqy n ILE 207 Ca -0.10 -0.39 0.10 0.00 1.00 0.00 0.00 62.75 63.36 1xqy n ILE 207 Cb 0.93 -1.45 0.35 0.00 -0.71 0.00 0.00 39.64 38.76 1xqy n ILE 207 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 1xqy n MET 208 N -3.44 1.79 0.01 0.38 1.56 -0.00 -2.03 117.12 115.38 1xqy n MET 208 Ca -0.39 -1.18 0.00 0.00 -0.27 0.00 0.00 57.70 55.86 1xqy n MET 208 Cb 0.85 -1.39 0.00 0.00 2.15 0.00 0.00 33.22 34.83 1xqy n MET 208 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1xqy n ASN 209 N 0.41 0.02 0.00 6.12 2.85 -1.22 -3.21 115.26 120.23 1xqy n ASN 209 Ca 0.16 0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.67 1xqy n ASN 209 Cb 0.35 0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.38 1xqy n ASN 209 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xqy n GLY 210 N 2.14 3.14 0.54 8.20 0.00 -0.47 0.12 105.19 118.86 1xqy n GLY 210 Ca 0.00 -1.50 0.34 0.00 0.00 0.00 0.00 46.02 44.86 1xqy n GLY 210 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xqy h PRO 211 N 0.00 0.00 0.00 1.61 0.11 -1.79 -3.42 132.00 128.51 1xqy h PRO 211 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1xqy h PRO 211 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1xqy h PRO 211 CO 0.00 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.06 1xqy n ASN 212 N -3.76 0.00 0.16 -2.05 0.23 -1.25 -5.02 115.26 103.58 1xqy n ASN 212 Ca 0.25 -0.83 -0.14 0.00 -0.53 0.00 0.00 54.58 53.33 1xqy n ASN 212 Cb 1.37 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.99 1xqy n ASN 212 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1xqy h GLU 213 N 0.00 -0.37 -0.21 -3.83 5.08 -1.93 -3.19 114.58 110.14 1xqy h GLU 213 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xqy h GLU 213 Cb 0.00 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1xqy h GLU 213 CO 0.00 -0.12 0.00 1.97 -1.00 0.00 0.00 179.01 179.86 1xqy n PHE 214 N -5.17 0.28 -3.16 4.33 1.16 -1.26 -4.04 117.46 109.59 1xqy n PHE 214 Ca -0.10 -0.14 -0.24 0.00 -1.87 0.00 0.00 57.45 55.10 1xqy n PHE 214 Cb 0.23 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.05 1xqy n PHE 214 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 1xqy n THR 215 N 0.14 1.26 -2.52 1.97 -1.04 -1.20 -4.99 114.28 107.89 1xqy n THR 215 Ca 0.09 -4.92 -0.42 0.00 -2.04 0.00 0.00 64.05 56.77 1xqy n THR 215 Cb 0.20 -1.33 -0.03 0.00 -1.82 0.00 0.00 70.33 67.36 1xqy n THR 215 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1xqy s ILE 216 N -2.82 3.84 0.00 12.58 1.01 -1.26 -3.13 121.20 131.42 1xqy s ILE 216 Ca 0.42 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1xqy s ILE 216 Cb 0.25 -4.73 0.00 0.00 0.01 0.00 0.00 42.46 37.99 1xqy s ILE 216 CO -0.09 -1.50 0.08 0.35 0.00 0.00 0.00 174.94 173.78 1xqy n THR 217 N 6.61 0.00 -0.57 2.92 -2.24 -0.74 -4.83 114.28 115.43 1xqy n THR 217 Ca 0.07 -0.43 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 1xqy n THR 217 Cb 0.49 1.02 0.08 0.00 -2.10 0.00 0.00 70.33 69.83 1xqy n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xqy n GLY 218 N 0.71 -2.75 2.13 3.38 0.00 0.31 -4.85 105.19 104.12 1xqy n GLY 218 Ca 0.00 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 1xqy n GLY 218 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xqy n THR 219 N -3.35 2.50 -1.44 2.61 -2.24 -0.86 -3.33 114.28 108.17 1xqy n THR 219 Ca 0.05 -1.28 0.00 0.00 -2.27 0.00 0.00 64.05 60.55 1xqy n THR 219 Cb 0.19 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.47 1xqy n THR 219 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1xqy n ILE 220 N 2.70 0.00 0.23 2.28 -5.35 -1.25 -4.88 119.36 113.08 1xqy n ILE 220 Ca 0.37 0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.95 1xqy n ILE 220 Cb 0.70 1.11 0.53 0.00 -1.74 0.00 0.00 39.64 40.24 1xqy n ILE 220 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1xqy h LYS 221 N 0.00 0.00 0.20 6.28 5.09 -1.87 -3.10 116.57 123.17 1xqy h LYS 221 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 60.65 60.40 1xqy h LYS 221 Cb 0.50 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.85 1xqy h LYS 221 CO 0.00 0.21 -1.62 0.22 -2.09 0.00 0.00 179.45 176.17 1xqy h ASP 222 N 0.00 0.65 -1.00 7.07 -0.00 -1.90 -3.31 116.42 117.93 1xqy h ASP 222 Ca -0.00 -0.85 -0.77 0.00 -0.00 0.00 0.00 57.03 55.41 1xqy h ASP 222 Cb 0.63 -0.21 0.06 0.00 -0.00 0.00 0.00 39.33 39.80 1xqy h ASP 222 CO 0.03 1.70 -0.02 1.87 -0.00 0.00 0.00 179.24 182.81 1xqy n TRP 223 N -3.61 0.49 -2.80 0.28 -0.00 -1.17 -4.79 117.44 105.84 1xqy n TRP 223 Ca -0.20 1.05 0.00 0.00 -0.00 0.00 0.00 57.50 58.34 1xqy n TRP 223 Cb 1.08 -2.07 0.01 0.00 -0.00 0.00 0.00 31.31 30.33 1xqy n TRP 223 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1xqy s ASP 224 N -0.14 -0.53 -0.58 5.87 3.68 -1.26 -1.89 116.67 121.82 1xqy s ASP 224 Ca 0.87 -0.38 0.00 0.00 2.13 0.00 0.00 52.55 55.18 1xqy s ASP 224 Cb -1.22 0.69 0.49 0.00 -1.45 0.00 0.00 42.92 41.42 1xqy s ASP 224 CO 0.57 -0.05 1.91 2.30 0.13 0.00 0.00 175.17 180.03 1xqy n ILE 225 N 3.47 3.41 0.30 4.11 -5.35 -0.58 -4.67 119.36 120.07 1xqy n ILE 225 Ca 0.08 -2.89 0.18 0.00 -0.27 0.00 0.00 62.75 59.86 1xqy n ILE 225 Cb 0.62 -1.01 1.02 0.00 -1.74 0.00 0.00 39.64 38.54 1xqy n ILE 225 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1xqy h THR 226 N 1.12 0.28 0.13 7.28 2.02 -1.96 -2.24 112.91 119.54 1xqy h THR 226 Ca 0.57 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 67.44 1xqy h THR 226 Cb 1.26 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1xqy h THR 226 CO 1.38 0.00 -1.57 -2.24 0.37 0.00 0.00 175.52 173.47 1xqy h ASP 227 N 0.00 0.43 0.58 4.18 2.03 -1.94 -3.33 116.42 118.36 1xqy h ASP 227 Ca 0.01 -0.60 -0.05 0.00 -0.73 0.00 0.00 57.03 55.66 1xqy h ASP 227 Cb 0.10 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.46 1xqy h ASP 227 CO -0.00 1.50 -0.24 0.11 -1.03 0.00 0.00 179.24 179.58 1xqy h LYS 228 N 0.07 0.00 -0.25 4.15 1.79 -1.78 -2.86 116.57 117.70 1xqy h LYS 228 Ca -0.26 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.19 1xqy h LYS 228 Cb 2.03 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.67 1xqy h LYS 228 CO 0.16 0.24 0.06 -0.84 -1.08 0.00 0.00 179.45 177.99 1xqy h ILE 229 N 0.00 1.12 -0.97 1.86 3.07 -1.62 -1.74 117.51 119.24 1xqy h ILE 229 Ca -0.00 -0.44 0.29 0.00 1.55 0.00 0.00 64.86 66.26 1xqy h ILE 229 Cb 0.59 0.88 -0.14 0.00 -0.27 0.00 0.00 36.82 37.88 1xqy h ILE 229 CO 0.03 0.16 0.47 0.28 -1.05 0.00 0.00 178.15 178.04 1xqy h SER 230 N 0.35 0.39 -0.30 2.16 0.02 -1.61 0.63 113.55 115.19 1xqy h SER 230 Ca 0.09 0.19 0.09 0.00 -0.84 0.00 0.00 61.79 61.31 1xqy h SER 230 Cb 0.15 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1xqy h SER 230 CO -0.00 -0.11 0.30 0.00 -1.14 0.00 0.00 176.83 175.88 1xqy h ALA 231 N 1.82 2.01 -2.18 3.77 0.00 -1.50 -3.42 119.26 119.75 1xqy h ALA 231 Ca 0.67 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 55.02 1xqy h ALA 231 Cb 1.45 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1xqy h ALA 231 CO -0.60 -0.46 1.19 0.42 0.00 0.00 0.00 179.25 179.80 1xqy s ILE 232 N -4.69 3.40 -0.17 0.00 1.01 0.22 -4.84 121.20 116.13 1xqy s ILE 232 Ca -0.05 0.46 0.06 0.00 0.00 0.00 0.00 60.65 61.13 1xqy s ILE 232 Cb 0.16 -3.36 -0.08 0.00 0.01 0.00 0.00 42.46 39.19 1xqy s ILE 232 CO 0.57 -0.11 0.21 1.17 0.00 0.00 0.00 174.94 176.79 1xqy n LYS 233 N 7.60 2.81 -1.04 2.79 3.00 -1.26 -4.72 118.16 127.34 1xqy n LYS 233 Ca 0.20 -0.03 -0.30 0.00 -0.00 0.00 0.00 58.31 58.18 1xqy n LYS 233 Cb 0.43 -0.96 0.14 0.00 0.00 0.00 0.00 35.03 34.65 1xqy n LYS 233 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1xqy s ILE 234 N -1.98 2.68 0.88 3.15 -4.36 -1.26 -4.95 121.20 115.36 1xqy s ILE 234 Ca 0.00 0.22 -0.14 0.00 -0.26 0.00 0.00 60.65 60.48 1xqy s ILE 234 Cb 0.05 -2.56 0.02 0.00 1.25 0.00 0.00 42.46 41.21 1xqy s ILE 234 CO 0.27 -0.29 0.48 -2.65 0.24 0.00 0.00 174.94 172.98 1xqy n PRO 235 N -3.94 -0.09 -3.58 0.37 -0.02 -1.26 -4.96 135.00 121.52 1xqy n PRO 235 Ca 0.08 0.02 -0.11 0.00 -2.02 0.00 0.00 63.50 61.48 1xqy n PRO 235 Cb 0.54 -1.88 -0.04 0.00 -0.02 0.00 0.00 33.50 32.10 1xqy n PRO 235 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xqy s THR 236 N -2.24 0.04 -0.07 3.45 2.01 -1.26 -3.54 115.64 114.04 1xqy s THR 236 Ca 0.60 -0.41 -0.04 0.00 0.31 0.00 0.00 61.69 62.15 1xqy s THR 236 Cb -0.25 -1.16 0.03 0.00 0.01 0.00 0.00 72.50 71.12 1xqy s THR 236 CO 0.64 -0.19 0.16 -0.22 -0.69 0.00 0.00 174.62 174.32 1xqy s LEU 237 N -2.79 0.95 -0.03 4.42 2.96 -0.44 -4.20 118.68 119.54 1xqy s LEU 237 Ca 0.03 0.32 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 1xqy s LEU 237 Cb 0.01 0.46 0.01 0.00 0.50 0.00 0.00 46.19 47.16 1xqy s LEU 237 CO -0.11 -0.11 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.11 1xqy s ILE 238 N 0.78 0.59 0.31 6.68 1.01 -1.26 -0.54 121.20 128.77 1xqy s ILE 238 Ca -0.06 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.42 1xqy s ILE 238 Cb -0.08 -0.56 -0.06 0.00 0.01 0.00 0.00 42.46 41.77 1xqy s ILE 238 CO -0.04 0.21 -0.00 0.42 0.00 0.00 0.00 174.94 175.53 1xqy s THR 239 N 0.44 1.48 0.00 2.92 -4.23 0.44 -1.74 115.64 114.95 1xqy s THR 239 Ca -0.06 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 1xqy s THR 239 Cb -0.10 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1xqy s THR 239 CO 0.00 -0.15 0.00 0.55 -0.54 0.00 0.00 174.62 174.49 1xqy n VAL 240 N -0.66 0.00 -4.04 2.29 3.14 -1.26 -0.41 118.33 117.39 1xqy n VAL 240 Ca -0.04 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.09 1xqy n VAL 240 Cb 0.65 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.39 1xqy n VAL 240 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1xqy s GLY 241 N 0.00 1.64 0.52 7.55 0.00 -1.24 0.16 107.32 115.95 1xqy s GLY 241 Ca 0.00 -1.18 0.21 0.00 0.00 0.00 0.00 44.72 43.75 1xqy s GLY 241 CO 0.00 -1.20 2.06 1.05 0.00 0.00 0.00 173.10 175.02 1xqy h GLU 242 N 2.14 0.01 -1.38 2.90 -0.00 -1.39 -2.89 114.58 113.96 1xqy h GLU 242 Ca -0.48 -0.00 -0.49 0.00 -0.00 0.00 0.00 59.36 58.39 1xqy h GLU 242 Cb 1.20 -0.00 -0.41 0.00 -0.00 0.00 0.00 28.75 29.54 1xqy h GLU 242 CO 0.64 0.00 -0.95 0.66 -0.00 0.00 0.00 179.01 179.36 1xqy n TYR 243 N -4.45 2.29 -3.09 2.06 4.01 -1.22 -4.76 117.16 111.99 1xqy n TYR 243 Ca 0.04 -3.08 -0.39 0.00 -0.16 0.00 0.00 57.90 54.31 1xqy n TYR 243 Cb 0.38 -0.26 -0.06 0.00 -0.31 0.00 0.00 39.34 39.09 1xqy n TYR 243 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1xqy s ASP 244 N -3.29 7.22 0.46 7.72 3.68 -1.09 -4.25 116.67 127.12 1xqy s ASP 244 Ca 0.39 1.44 0.27 0.00 2.13 0.00 0.00 52.55 56.78 1xqy s ASP 244 Cb 0.41 -2.44 1.32 0.00 -1.45 0.00 0.00 42.92 40.77 1xqy s ASP 244 CO -0.08 0.18 1.76 1.05 0.13 0.00 0.00 175.17 178.21 1xqy h GLU 245 N 4.77 0.20 -3.00 4.34 4.11 -1.35 0.17 114.58 123.81 1xqy h GLU 245 Ca -0.47 -0.01 -0.78 0.00 0.07 0.00 0.00 59.36 58.17 1xqy h GLU 245 Cb 1.21 -0.04 -0.30 0.00 0.50 0.00 0.00 28.75 30.11 1xqy h GLU 245 CO 0.66 0.13 0.51 0.28 0.07 0.00 0.00 179.01 180.67 1xqy n VAL 246 N -4.46 4.71 -0.43 -1.06 0.31 -1.26 -4.72 118.33 111.42 1xqy n VAL 246 Ca 0.27 -5.70 -0.15 0.00 -0.01 0.00 0.00 64.34 58.76 1xqy n VAL 246 Cb 1.10 -2.20 -0.01 0.00 -0.91 0.00 0.00 33.84 31.82 1xqy n VAL 246 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1xqy n THR 247 N 1.61 0.54 0.02 2.52 5.66 0.58 -4.73 114.28 120.47 1xqy n THR 247 Ca 0.26 -0.16 0.17 0.00 -3.05 0.00 0.00 64.05 61.27 1xqy n THR 247 Cb 0.35 0.00 0.64 0.00 -1.55 0.00 0.00 70.33 69.77 1xqy n THR 247 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1xqy h PRO 248 N 0.27 0.09 -0.52 1.09 0.13 -1.81 -0.66 132.00 130.60 1xqy h PRO 248 Ca -0.09 -0.01 0.15 0.00 -0.87 0.00 0.00 66.00 65.18 1xqy h PRO 248 Cb 0.45 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 1xqy h PRO 248 CO 0.17 0.06 0.55 -0.91 -0.23 0.00 0.00 178.00 177.64 1xqy h ASN 249 N 0.09 0.00 0.06 1.44 4.21 -1.95 0.79 115.58 120.23 1xqy h ASN 249 Ca 0.22 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.73 1xqy h ASN 249 Cb 0.77 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.97 1xqy h ASN 249 CO -0.02 0.00 -0.03 0.58 -1.29 0.00 0.00 177.43 176.67 1xqy h VAL 250 N 0.00 1.20 -0.89 2.81 2.07 -1.40 -3.32 116.25 116.72 1xqy h VAL 250 Ca 0.25 -1.52 0.19 0.00 0.82 0.00 0.00 66.70 66.44 1xqy h VAL 250 Cb 1.34 2.10 -0.17 0.00 -1.52 0.00 0.00 31.29 33.05 1xqy h VAL 250 CO -0.00 0.35 -0.16 0.00 0.02 0.00 0.00 177.57 177.77 1xqy h ALA 251 N -0.09 0.69 -0.23 1.67 0.00 -0.93 -2.24 119.26 118.12 1xqy h ALA 251 Ca -0.01 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1xqy h ALA 251 Cb 0.63 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xqy h ALA 251 CO 0.01 -0.42 0.00 -2.13 0.00 0.00 0.00 179.25 176.71 1xqy n ARG 252 N -5.53 0.00 -0.14 0.00 0.63 -0.95 -1.18 116.66 109.49 1xqy n ARG 252 Ca 0.15 0.94 -0.04 0.00 -0.92 0.00 0.00 57.85 57.98 1xqy n ARG 252 Cb 0.49 -1.46 -0.03 0.00 0.45 0.00 0.00 32.46 31.91 1xqy n ARG 252 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1xqy n VAL 253 N -2.80 -0.23 0.00 5.15 0.31 -0.84 0.27 118.33 120.19 1xqy n VAL 253 Ca 0.00 0.89 0.00 0.00 -0.01 0.00 0.00 64.34 65.22 1xqy n VAL 253 Cb 0.00 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1xqy n VAL 253 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1xqy n ILE 254 N -4.19 0.00 -0.55 2.52 5.41 -0.75 0.21 119.36 122.01 1xqy n ILE 254 Ca 0.01 1.31 0.45 0.00 1.00 0.00 0.00 62.75 65.51 1xqy n ILE 254 Cb 0.09 -2.00 0.72 0.00 -0.71 0.00 0.00 39.64 37.74 1xqy n ILE 254 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1xqy n HIS 255 N -1.95 0.48 -0.00 1.39 -0.00 0.70 0.16 115.22 115.99 1xqy n HIS 255 Ca 0.00 0.48 -0.13 0.00 0.46 0.00 0.00 57.72 58.53 1xqy n HIS 255 Cb 0.00 -0.94 -0.10 0.00 -0.12 0.00 0.00 29.99 28.83 1xqy n HIS 255 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 1xqy h GLU 256 N 0.00 -0.06 0.00 1.57 4.81 0.93 -3.18 114.58 118.65 1xqy h GLU 256 Ca 0.90 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 60.13 1xqy h GLU 256 Cb 3.15 0.01 0.00 0.00 0.63 0.00 0.00 28.75 32.54 1xqy h GLU 256 CO -0.32 0.50 0.00 1.63 -0.73 0.00 0.00 179.01 180.09 1xqy n LYS 257 N -4.83 0.20 -3.76 1.92 4.01 0.57 -4.55 118.16 111.71 1xqy n LYS 257 Ca -0.09 0.15 -0.26 0.00 -0.51 0.00 0.00 58.31 57.60 1xqy n LYS 257 Cb 0.30 -1.50 -0.17 0.00 -0.51 0.00 0.00 35.03 33.15 1xqy n LYS 257 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1xqy s ILE 258 N -2.63 0.54 1.39 -0.18 1.01 -0.11 -3.84 121.20 117.38 1xqy s ILE 258 Ca 0.14 -0.38 -0.22 0.00 0.00 0.00 0.00 60.65 60.19 1xqy s ILE 258 Cb 0.11 -0.92 0.35 0.00 0.01 0.00 0.00 42.46 42.01 1xqy s ILE 258 CO 0.25 -0.05 0.95 0.00 0.00 0.00 0.00 174.94 176.09 1xqy s ALA 259 N 1.87 -0.57 -0.57 9.38 0.00 -1.26 -3.71 121.76 126.89 1xqy s ALA 259 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1xqy s ALA 259 Cb -0.16 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1xqy s ALA 259 CO -0.07 -4.46 0.00 0.41 0.00 0.00 0.00 175.76 171.64 1xqy n GLY 260 N 1.08 0.51 3.86 0.00 0.00 -1.26 -4.77 105.19 104.62 1xqy n GLY 260 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1xqy n GLY 260 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xqy s SER 261 N -1.57 6.64 -0.55 1.61 1.04 -1.24 -4.21 113.70 115.42 1xqy s SER 261 Ca 0.00 0.77 0.06 0.00 0.48 0.00 0.00 55.95 57.27 1xqy s SER 261 Cb 0.00 -2.17 0.33 0.00 0.10 0.00 0.00 66.02 64.28 1xqy s SER 261 CO 0.00 0.25 0.89 -0.62 0.98 0.00 0.00 173.24 174.74 1xqy n GLU 262 N 1.27 2.77 -1.47 4.02 4.71 -1.26 -5.05 120.64 125.64 1xqy n GLU 262 Ca -0.11 -4.58 -0.57 0.00 -0.01 0.00 0.00 57.16 51.89 1xqy n GLU 262 Cb 0.53 -2.14 -0.08 0.00 -1.01 0.00 0.00 31.44 28.74 1xqy n GLU 262 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1xqy n LEU 263 N -0.04 0.89 -3.72 -4.62 7.94 -1.26 -4.68 117.00 111.51 1xqy n LEU 263 Ca 0.30 1.01 -0.30 0.00 -1.11 0.00 0.00 56.01 55.91 1xqy n LEU 263 Cb 0.44 -0.76 -0.14 0.00 0.53 0.00 0.00 43.42 43.50 1xqy n LEU 263 CO 0.32 -0.85 -0.28 -1.00 -1.11 0.00 0.00 177.39 174.48 1xqy s HIS 264 N 2.20 1.90 0.21 1.96 3.76 -0.71 -5.03 115.29 119.58 1xqy s HIS 264 Ca 0.88 -2.20 -0.31 0.00 -0.15 0.00 0.00 55.06 53.28 1xqy s HIS 264 Cb -1.25 -1.82 -0.10 0.00 1.11 0.00 0.00 32.58 30.51 1xqy s HIS 264 CO 0.67 -0.82 1.47 0.08 -0.85 0.00 0.00 174.74 175.29 1xqy s VAL 265 N 0.78 2.72 -0.23 -0.90 1.01 -1.26 -3.98 120.40 118.54 1xqy s VAL 265 Ca 0.15 0.57 -0.22 0.00 0.00 0.00 0.00 61.98 62.48 1xqy s VAL 265 Cb -0.22 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1xqy s VAL 265 CO -0.07 0.07 0.68 -0.36 0.00 0.00 0.00 175.10 175.42 1xqy s PHE 266 N 0.44 3.32 0.18 5.22 0.40 0.42 -4.94 117.98 123.02 1xqy s PHE 266 Ca 0.63 0.94 -0.30 0.00 -0.60 0.00 0.00 56.93 57.60 1xqy s PHE 266 Cb -0.42 -2.88 -0.08 0.00 0.51 0.00 0.00 43.02 40.15 1xqy s PHE 266 CO 0.38 -0.29 1.20 1.03 0.70 0.00 0.00 175.22 178.24 1xqy s ARG 267 N 2.37 4.49 -1.54 0.44 1.81 -1.26 -2.67 118.95 122.59 1xqy s ARG 267 Ca 0.29 1.86 0.00 0.00 -1.72 0.00 0.00 55.73 56.17 1xqy s ARG 267 Cb -0.16 -3.25 0.00 0.00 -0.45 0.00 0.00 34.95 31.10 1xqy s ARG 267 CO 0.09 -0.10 0.00 -0.25 -0.68 0.00 0.00 175.30 174.36 1xqy n ASP 268 N 2.61 -4.86 -4.36 0.23 10.43 -1.26 -4.97 116.55 114.36 1xqy n ASP 268 Ca 0.05 0.19 -0.27 0.00 2.57 0.00 0.00 54.79 57.32 1xqy n ASP 268 Cb 0.45 -3.88 -0.13 0.00 1.84 0.00 0.00 41.12 39.40 1xqy n ASP 268 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xqy n SER 270 N 0.90 0.00 -0.08 0.00 3.41 -1.26 -2.96 113.62 113.63 1xqy n SER 270 Ca -0.18 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.35 1xqy n SER 270 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1xqy n SER 270 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1xqy n HIS 271 N 0.00 0.70 -0.82 7.33 -0.00 -0.48 -3.72 115.22 118.23 1xqy n HIS 271 Ca 0.00 0.30 -0.13 0.00 0.46 0.00 0.00 57.72 58.36 1xqy n HIS 271 Cb 0.00 -0.75 -0.11 0.00 -0.12 0.00 0.00 29.99 29.01 1xqy n HIS 271 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1xqy n LEU 272 N -4.55 4.51 -0.34 0.27 4.77 -0.83 -4.50 117.00 116.34 1xqy n LEU 272 Ca -0.13 -2.75 0.26 0.00 -0.03 0.00 0.00 56.01 53.36 1xqy n LEU 272 Cb 0.38 -1.14 0.55 0.00 -2.33 0.00 0.00 43.42 40.88 1xqy n LEU 272 CO 0.13 1.23 1.23 0.71 -1.33 0.00 0.00 177.39 179.36 1xqy h THR 273 N 2.38 0.45 0.00 -5.08 1.35 -1.85 0.24 112.91 110.40 1xqy h THR 273 Ca 0.23 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1xqy h THR 273 Cb 1.03 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1xqy h THR 273 CO 0.50 0.06 0.00 1.15 -0.25 0.00 0.00 175.52 176.98 1xqy n MET 274 N -4.61 0.13 0.00 4.72 0.00 -1.26 -2.25 117.12 113.85 1xqy n MET 274 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.97 1xqy n MET 274 Cb 0.99 -1.18 0.00 0.00 0.00 0.00 0.00 33.22 33.03 1xqy n MET 274 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 1xqy n TRP 275 N -0.68 0.00 0.00 3.17 7.02 0.84 -4.49 117.44 123.30 1xqy n TRP 275 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 1xqy n TRP 275 Cb 0.01 0.08 0.00 0.00 -2.42 0.00 0.00 31.31 28.97 1xqy n TRP 275 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82 1xqy n GLU 276 N -2.69 0.00 -0.71 -0.99 0.28 -0.95 -2.82 120.64 112.76 1xqy n GLU 276 Ca 0.00 0.08 -0.14 0.00 -0.16 0.00 0.00 57.16 56.94 1xqy n GLU 276 Cb 0.39 -0.80 0.09 0.00 1.43 0.00 0.00 31.44 32.54 1xqy n GLU 276 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1xqy n ASP 277 N -0.38 3.84 -0.32 -1.84 -0.08 -1.22 -4.40 116.55 112.16 1xqy n ASP 277 Ca 0.00 -2.92 0.25 0.00 -1.51 0.00 0.00 54.79 50.62 1xqy n ASP 277 Cb 0.00 -0.73 0.56 0.00 2.34 0.00 0.00 41.12 43.29 1xqy n ASP 277 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1xqy h ARG 278 N 0.68 0.29 -0.97 -0.67 2.43 -1.47 0.12 114.38 114.79 1xqy h ARG 278 Ca 0.35 -0.02 0.28 0.00 -0.81 0.00 0.00 59.98 59.78 1xqy h ARG 278 Cb 1.87 -0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 31.22 1xqy h ARG 278 CO 0.64 0.19 0.51 0.93 -1.51 0.00 0.00 179.97 180.74 1xqy h GLU 279 N 0.30 0.38 0.00 0.20 3.07 -1.82 -0.74 114.58 115.97 1xqy h GLU 279 Ca 0.58 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 1xqy h GLU 279 Cb 1.66 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.49 1xqy h GLU 279 CO -0.23 0.25 -1.16 0.41 -1.40 0.00 0.00 179.01 176.87 1xqy n GLY 280 N -1.31 -0.42 0.21 -3.84 0.00 -0.32 -4.68 105.19 94.83 1xqy n GLY 280 Ca 0.28 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 1xqy n GLY 280 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1xqy h TYR 281 N 0.00 -0.71 -0.91 1.61 3.20 0.74 -2.74 116.97 118.16 1xqy h TYR 281 Ca 0.00 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.01 1xqy h TYR 281 Cb 0.46 0.31 -0.13 0.00 1.54 0.00 0.00 36.73 38.91 1xqy h TYR 281 CO 0.00 -0.26 -0.48 -0.91 -1.64 0.00 0.00 178.16 174.87 1xqy h ASN 282 N -0.30 -1.75 0.00 -2.11 4.21 -1.81 -2.46 115.58 111.37 1xqy h ASN 282 Ca 0.01 0.31 0.00 0.00 1.21 0.00 0.00 56.30 57.82 1xqy h ASN 282 Cb 0.32 0.82 0.00 0.00 -1.12 0.00 0.00 38.32 38.35 1xqy h ASN 282 CO -0.17 -0.28 0.00 0.29 -1.29 0.00 0.00 177.43 175.99 1xqy n LYS 283 N -5.37 0.00 -0.25 0.81 5.02 -1.04 0.59 118.16 117.92 1xqy n LYS 283 Ca 0.05 0.45 0.10 0.00 -2.02 0.00 0.00 58.31 56.90 1xqy n LYS 283 Cb 0.33 -0.77 0.21 0.00 -0.02 0.00 0.00 35.03 34.78 1xqy n LYS 283 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1xqy n LEU 284 N -1.58 -0.09 0.34 -0.35 7.94 -0.93 0.10 117.00 122.43 1xqy n LEU 284 Ca 0.00 1.22 -0.16 0.00 -1.11 0.00 0.00 56.01 55.95 1xqy n LEU 284 Cb 0.00 -0.44 -0.08 0.00 0.53 0.00 0.00 43.42 43.43 1xqy n LEU 284 CO 0.00 -1.23 0.55 -0.07 -1.11 0.00 0.00 177.39 175.53 1xqy h LEU 285 N 0.00 -0.72 -0.44 -1.96 4.07 0.18 0.29 115.31 116.72 1xqy h LEU 285 Ca 0.43 -0.02 0.08 0.00 0.08 0.00 0.00 57.88 58.46 1xqy h LEU 285 Cb 0.88 0.19 -0.07 0.00 1.08 0.00 0.00 40.66 42.73 1xqy h LEU 285 CO -0.68 -0.42 0.00 0.77 -1.08 0.00 0.00 178.44 177.03 1xqy h SER 286 N -1.00 -0.18 -0.80 -0.43 4.64 0.24 0.30 113.55 116.32 1xqy h SER 286 Ca -0.09 0.10 0.11 0.00 -0.47 0.00 0.00 61.79 61.45 1xqy h SER 286 Cb 0.69 0.18 -0.08 0.00 -0.31 0.00 0.00 62.40 62.89 1xqy h SER 286 CO 0.14 -0.06 0.43 0.44 -0.87 0.00 0.00 176.83 176.91 1xqy h ASP 287 N 0.11 0.56 -0.30 4.97 3.32 0.90 0.14 116.42 126.12 1xqy h ASP 287 Ca 0.22 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 1xqy h ASP 287 Cb 0.32 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1xqy h ASP 287 CO -0.36 0.30 0.11 0.15 -1.72 0.00 0.00 179.24 177.71 1xqy h PHE 288 N 0.68 0.48 0.00 4.55 3.57 0.18 -3.02 116.94 123.38 1xqy h PHE 288 Ca 0.40 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.86 1xqy h PHE 288 Cb 0.45 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1xqy h PHE 288 CO -0.09 0.48 0.00 -0.89 -2.23 0.00 0.00 178.31 175.58 1xqy n ILE 289 N -4.71 0.00 0.00 1.41 5.41 0.84 -2.97 119.36 119.34 1xqy n ILE 289 Ca -0.02 1.27 0.00 0.00 1.00 0.00 0.00 62.75 65.00 1xqy n ILE 289 Cb 0.15 -2.25 0.00 0.00 -0.71 0.00 0.00 39.64 36.83 1xqy n ILE 289 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1xqy n LEU 290 N -1.82 0.00 -0.22 1.39 4.77 0.28 -1.06 117.00 120.35 1xqy n LEU 290 Ca 0.00 0.43 -0.02 0.00 -0.03 0.00 0.00 56.01 56.39 1xqy n LEU 290 Cb 0.00 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1xqy n LEU 290 CO 0.00 -0.10 0.30 0.29 -1.33 0.00 0.00 177.39 176.55 1xqy n LYS 291 N -1.41 -0.16 -0.77 3.23 5.02 -1.14 -1.62 118.16 121.32 1xqy n LYS 291 Ca 0.00 0.84 -0.17 0.00 -2.02 0.00 0.00 58.31 56.97 1xqy n LYS 291 Cb 0.00 -1.25 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 1xqy n LYS 291 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xqy n HIS 292 N -4.77 0.76 -0.75 2.13 8.25 -0.22 -5.13 115.22 115.49 1xqy n HIS 292 Ca 0.04 -1.59 0.00 0.00 -0.26 0.00 0.00 57.72 55.92 1xqy n HIS 292 Cb 0.20 -1.52 0.00 0.00 1.12 0.00 0.00 29.99 29.79 1xqy n HIS 292 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26