#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xai s LYS 2 N 0.00 2.93 0.27 2.12 2.20 -1.26 -0.38 119.74 125.61 1xai s LYS 2 Ca 0.00 -0.49 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 1xai s LYS 2 Cb 0.00 -2.76 -0.05 0.00 -1.51 0.00 0.00 37.83 33.51 1xai s LYS 2 CO 0.00 0.67 0.10 -0.51 -0.36 0.00 0.00 175.35 175.25 1xai s LEU 3 N -1.26 1.66 -0.14 5.43 1.43 -0.65 -4.96 118.68 120.20 1xai s LEU 3 Ca 0.17 -1.40 -0.10 0.00 -1.03 0.00 0.00 54.13 51.77 1xai s LEU 3 Cb -0.11 0.01 0.04 0.00 0.03 0.00 0.00 46.19 46.16 1xai s LEU 3 CO 0.07 -0.74 0.36 -1.58 0.23 0.00 0.00 176.35 174.70 1xai s GLN 4 N -4.01 0.38 0.04 1.70 0.74 -1.26 -2.05 119.66 115.20 1xai s GLN 4 Ca 0.38 0.60 -0.31 0.00 0.05 0.00 0.00 55.36 56.08 1xai s GLN 4 Cb 0.08 0.08 -0.07 0.00 1.10 0.00 0.00 33.01 34.21 1xai s GLN 4 CO 0.14 -0.10 1.44 0.95 -0.55 0.00 0.00 175.29 177.16 1xai s THR 5 N 0.74 3.50 -0.38 -0.34 -4.23 -0.97 -4.92 115.64 109.03 1xai s THR 5 Ca -0.04 0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 61.41 1xai s THR 5 Cb -0.06 -3.61 0.27 0.00 1.34 0.00 0.00 72.50 70.44 1xai s THR 5 CO -0.05 0.02 2.00 0.35 -0.54 0.00 0.00 174.62 176.40 1xai n THR 6 N 4.48 2.93 -1.58 3.99 -2.24 -1.26 -4.51 114.28 116.09 1xai n THR 6 Ca 0.13 -1.88 -0.30 0.00 -2.27 0.00 0.00 64.05 59.73 1xai n THR 6 Cb 0.43 -1.28 0.10 0.00 -2.10 0.00 0.00 70.33 67.48 1xai n THR 6 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1xai s TYR 7 N -2.21 2.81 0.26 4.78 1.51 -1.26 -4.97 117.35 118.26 1xai s TYR 7 Ca 0.38 1.09 -0.03 0.00 -1.01 0.00 0.00 57.07 57.49 1xai s TYR 7 Cb 0.30 -3.17 0.32 0.00 -0.11 0.00 0.00 41.96 39.30 1xai s TYR 7 CO -0.00 -1.83 1.82 -1.00 -1.11 0.00 0.00 175.55 173.42 1xai h PRO 8 N -1.13 0.97 0.00 -1.71 0.13 -1.97 -3.46 132.00 124.83 1xai h PRO 8 Ca -0.47 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1xai h PRO 8 Cb 1.28 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1xai h PRO 8 CO 0.60 0.82 0.00 -1.13 -0.23 0.00 0.00 178.00 178.06 1xai n SER 9 N -4.28 1.12 -0.10 1.44 3.41 -1.26 -4.98 113.62 108.97 1xai n SER 9 Ca 0.05 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 1xai n SER 9 Cb 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1xai n SER 9 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xai n ASN 10 N -1.03 0.00 -4.96 4.04 3.02 -1.26 -4.89 115.26 110.18 1xai n ASN 10 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 1xai n ASN 10 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1xai n ASN 10 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1xai s ASN 11 N 0.00 6.25 0.06 6.41 0.01 -1.26 -4.98 114.94 121.43 1xai s ASN 11 Ca 0.00 0.04 0.02 0.00 -0.71 0.00 0.00 52.86 52.21 1xai s ASN 11 Cb 0.00 -1.81 -0.03 0.00 0.41 0.00 0.00 41.25 39.82 1xai s ASN 11 CO 0.00 -0.07 -0.08 -0.72 -1.51 0.00 0.00 177.10 174.72 1xai s TYR 12 N -2.00 0.73 0.81 2.20 1.13 -1.26 -4.97 117.35 114.00 1xai s TYR 12 Ca 0.34 -0.59 -0.09 0.00 -1.41 0.00 0.00 57.07 55.32 1xai s TYR 12 Cb -0.09 -0.43 0.13 0.00 -1.10 0.00 0.00 41.96 40.47 1xai s TYR 12 CO 0.29 -0.10 1.14 -1.25 -2.51 0.00 0.00 175.55 173.12 1xai s PRO 13 N -2.10 1.45 -0.25 -3.49 0.04 -1.26 -2.29 135.00 127.11 1xai s PRO 13 Ca -0.05 -0.53 -0.02 0.00 0.04 0.00 0.00 61.00 60.45 1xai s PRO 13 Cb -0.07 -2.08 0.14 0.00 0.04 0.00 0.00 34.50 32.53 1xai s PRO 13 CO -0.01 -1.76 0.38 0.42 0.04 0.00 0.00 177.00 176.07 1xai s ILE 14 N -3.48 -0.60 -0.35 0.56 1.01 -0.87 -1.03 121.20 116.44 1xai s ILE 14 Ca 0.67 -0.12 -0.16 0.00 0.00 0.00 0.00 60.65 61.05 1xai s ILE 14 Cb -0.07 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 1xai s ILE 14 CO 0.48 -0.16 0.39 -0.31 0.00 0.00 0.00 174.94 175.34 1xai s TYR 15 N 2.54 3.20 -0.72 3.97 2.02 0.85 -1.63 117.35 127.58 1xai s TYR 15 Ca 0.12 -0.02 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 1xai s TYR 15 Cb -0.15 -2.72 0.17 0.00 -0.40 0.00 0.00 41.96 38.86 1xai s TYR 15 CO -0.18 -0.47 0.52 0.08 -1.57 0.00 0.00 175.55 173.93 1xai s VAL 16 N 2.08 3.26 0.31 0.71 1.01 0.49 0.32 120.40 128.59 1xai s VAL 16 Ca 0.13 -3.94 0.03 0.00 0.00 0.00 0.00 61.98 58.19 1xai s VAL 16 Cb -0.16 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1xai s VAL 16 CO 0.12 -0.98 0.15 -1.61 0.00 0.00 0.00 175.10 172.77 1xai s GLU 17 N -1.16 1.61 0.00 2.72 2.02 -1.16 -2.27 118.70 120.46 1xai s GLU 17 Ca 0.24 -1.92 0.10 0.00 0.02 0.00 0.00 54.97 53.41 1xai s GLU 17 Cb -0.10 -0.20 0.30 0.00 0.10 0.00 0.00 34.13 34.23 1xai s GLU 17 CO -0.12 -0.43 1.25 0.72 0.02 0.00 0.00 175.26 176.70 1xai n HIS 18 N -0.61 0.45 -1.62 1.61 8.25 -1.26 0.11 115.22 122.14 1xai n HIS 18 Ca 0.00 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1xai n HIS 18 Cb 0.65 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.76 1xai n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xai n GLY 19 N 1.04 -0.66 0.34 -1.41 0.00 -1.26 -4.41 105.19 98.84 1xai n GLY 19 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1xai n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xai h ALA 20 N 0.00 1.58 0.00 4.61 0.00 -1.86 -1.87 119.26 121.72 1xai h ALA 20 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xai h ALA 20 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xai h ALA 20 CO 0.00 -0.53 0.04 1.51 0.00 0.00 0.00 179.25 180.28 1xai n ILE 21 N -2.90 1.21 0.12 0.00 0.00 -1.26 -1.26 119.36 115.28 1xai n ILE 21 Ca -0.00 0.68 -0.19 0.00 0.00 0.00 0.00 62.75 63.23 1xai n ILE 21 Cb 0.55 -1.68 -0.15 0.00 0.00 0.00 0.00 39.64 38.37 1xai n ILE 21 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1xai h LYS 22 N 0.00 0.38 0.00 9.51 2.10 -1.77 -3.31 116.57 123.48 1xai h LYS 22 Ca 0.00 -0.65 0.00 0.00 -2.00 0.00 0.00 60.65 58.00 1xai h LYS 22 Cb 0.09 0.24 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1xai h LYS 22 CO 0.00 1.31 0.00 0.66 -2.00 0.00 0.00 179.45 179.42 1xai n TYR 23 N -3.61 0.00 0.14 0.07 4.01 -0.39 -2.98 117.16 114.40 1xai n TYR 23 Ca -0.12 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.52 1xai n TYR 23 Cb 1.06 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 40.02 1xai n TYR 23 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1xai h ILE 24 N 0.00 0.44 0.00 -0.72 1.08 -1.74 -3.34 117.51 113.23 1xai h ILE 24 Ca 0.00 -0.80 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 1xai h ILE 24 Cb 0.00 0.71 0.00 0.00 -3.07 0.00 0.00 36.82 34.46 1xai h ILE 24 CO 0.00 0.10 0.09 1.23 -0.69 0.00 0.00 178.15 178.88 1xai h GLY 25 N -0.98 0.00 1.14 5.37 0.00 -1.83 -1.96 103.07 104.81 1xai h GLY 25 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1xai h GLY 25 CO 0.07 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.31 1xai n THR 26 N -2.89 0.12 -0.01 4.70 -2.24 -1.25 -3.51 114.28 109.20 1xai n THR 26 Ca -0.02 0.03 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1xai n THR 26 Cb 0.15 -0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 67.62 1xai n THR 26 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1xai n TYR 27 N -1.07 0.00 -0.19 4.78 4.02 -0.74 -4.81 117.16 119.15 1xai n TYR 27 Ca 0.12 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.19 1xai n TYR 27 Cb 0.08 -0.16 0.33 0.00 -0.02 0.00 0.00 39.34 39.57 1xai n TYR 27 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1xai n LEU 28 N -3.43 0.17 -4.08 7.72 4.77 -1.19 -0.65 117.00 120.31 1xai n LEU 28 Ca -0.08 0.86 -0.38 0.00 -0.03 0.00 0.00 56.01 56.38 1xai n LEU 28 Cb 0.39 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1xai n LEU 28 CO 0.02 -0.96 0.51 0.59 -1.33 0.00 0.00 177.39 176.22 1xai n ASN 29 N -4.12 4.70 0.00 -1.43 3.02 -1.26 -3.62 115.26 112.55 1xai n ASN 29 Ca 0.21 -3.18 0.00 0.00 -0.03 0.00 0.00 54.58 51.58 1xai n ASN 29 Cb 0.72 -1.11 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1xai n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xai n GLN 30 N 2.12 0.00 -4.48 3.52 6.02 0.17 -5.05 117.38 119.69 1xai n GLN 30 Ca 0.23 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.89 1xai n GLN 30 Cb 0.37 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.51 1xai n GLN 30 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1xai s PHE 31 N -0.24 3.00 0.54 1.08 0.08 -1.24 -5.00 117.98 116.21 1xai s PHE 31 Ca 0.00 -0.18 0.26 0.00 0.12 0.00 0.00 56.93 57.13 1xai s PHE 31 Cb 0.00 -1.87 1.42 0.00 -0.57 0.00 0.00 43.02 42.00 1xai s PHE 31 CO 0.00 0.11 1.98 -0.44 -0.10 0.00 0.00 175.22 176.77 1xai h ASP 32 N 6.15 0.00 -4.99 1.36 3.32 -1.60 -3.43 116.42 117.23 1xai h ASP 32 Ca -0.37 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.69 1xai h ASP 32 Cb 1.19 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.63 1xai h ASP 32 CO 0.59 0.00 0.23 -1.10 -1.72 0.00 0.00 179.24 177.24 1xai s GLN 33 N -4.98 1.36 -0.06 3.56 -0.21 -1.25 -4.89 119.66 113.18 1xai s GLN 33 Ca -0.05 -0.58 -0.03 0.00 0.02 0.00 0.00 55.36 54.73 1xai s GLN 33 Cb 0.20 0.58 0.03 0.00 1.00 0.00 0.00 33.01 34.82 1xai s GLN 33 CO 0.72 -0.61 0.13 -1.12 -2.12 0.00 0.00 175.29 172.30 1xai s SER 34 N -2.78 -0.09 -0.25 5.90 0.01 -1.23 -1.49 113.70 113.77 1xai s SER 34 Ca 0.04 0.27 -0.01 0.00 1.31 0.00 0.00 55.95 57.55 1xai s SER 34 Cb -0.02 0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.40 1xai s SER 34 CO -0.08 -0.13 -0.07 -0.36 0.41 0.00 0.00 173.24 173.01 1xai s PHE 35 N 1.04 3.06 -0.54 2.43 0.08 -0.15 -1.36 117.98 122.54 1xai s PHE 35 Ca -0.08 -1.58 -0.21 0.00 0.12 0.00 0.00 56.93 55.18 1xai s PHE 35 Cb -0.10 -2.05 0.06 0.00 -0.57 0.00 0.00 43.02 40.36 1xai s PHE 35 CO -0.05 -0.74 0.75 -1.17 -0.10 0.00 0.00 175.22 173.91 1xai s LEU 36 N 1.32 4.74 -0.25 -0.37 0.20 0.87 -1.48 118.68 123.71 1xai s LEU 36 Ca 0.00 -0.84 -0.22 0.00 0.69 0.00 0.00 54.13 53.76 1xai s LEU 36 Cb -0.17 -2.52 -0.01 0.00 -0.43 0.00 0.00 46.19 43.06 1xai s LEU 36 CO -0.05 -1.06 0.71 -0.76 -0.29 0.00 0.00 176.35 174.91 1xai s LEU 37 N 3.11 4.07 -0.03 -0.68 1.02 -0.55 0.15 118.68 125.78 1xai s LEU 37 Ca 0.19 0.85 0.00 0.00 0.02 0.00 0.00 54.13 55.20 1xai s LEU 37 Cb -0.18 -3.00 0.03 0.00 0.02 0.00 0.00 46.19 43.06 1xai s LEU 37 CO 0.13 -0.43 0.00 -0.51 0.02 0.00 0.00 176.35 175.56 1xai s ILE 38 N 2.62 0.18 0.43 -0.59 2.07 0.41 -2.22 121.20 124.10 1xai s ILE 38 Ca 0.30 0.10 -0.21 0.00 -1.41 0.00 0.00 60.65 59.43 1xai s ILE 38 Cb -0.15 -0.29 -0.14 0.00 0.13 0.00 0.00 42.46 42.00 1xai s ILE 38 CO 0.08 0.16 0.18 -0.67 -1.91 0.00 0.00 174.94 172.78 1xai n ASP 39 N 4.28 -2.44 0.22 4.50 -0.08 -1.24 -3.01 116.55 118.78 1xai n ASP 39 Ca -0.24 0.81 0.06 0.00 -1.51 0.00 0.00 54.79 53.91 1xai n ASP 39 Cb 0.50 -0.95 0.49 0.00 2.34 0.00 0.00 41.12 43.51 1xai n ASP 39 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1xai h GLU 40 N 0.37 0.00 0.14 -0.67 4.81 -1.67 -2.05 114.58 115.50 1xai h GLU 40 Ca -0.39 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.48 1xai h GLU 40 Cb 1.43 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.80 1xai h GLU 40 CO 0.47 0.25 -1.93 1.88 -0.73 0.00 0.00 179.01 178.95 1xai h TYR 41 N 0.00 0.52 -0.36 0.92 0.99 -1.89 -3.30 116.97 113.85 1xai h TYR 41 Ca -0.00 -0.38 0.03 0.00 2.00 0.00 0.00 58.73 60.37 1xai h TYR 41 Cb 0.49 -0.02 -0.02 0.00 1.00 0.00 0.00 36.73 38.18 1xai h TYR 41 CO 0.00 1.76 0.24 0.28 -0.00 0.00 0.00 178.16 180.45 1xai h VAL 42 N 0.06 1.02 -0.67 -2.88 2.07 -1.91 -0.46 116.25 113.49 1xai h VAL 42 Ca -0.41 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 1xai h VAL 42 Cb 2.03 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1xai h VAL 42 CO 0.10 0.07 0.30 -1.13 0.02 0.00 0.00 177.57 176.93 1xai h ASN 43 N 0.38 0.87 0.44 0.57 -1.24 -1.48 -1.41 115.58 113.71 1xai h ASN 43 Ca 0.15 -0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 1xai h ASN 43 Cb 0.12 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.95 1xai h ASN 43 CO -0.03 0.75 -0.21 1.56 -1.29 0.00 0.00 177.43 178.20 1xai h GLN 44 N 0.95 -0.58 -0.24 6.67 1.08 -1.19 -3.15 115.11 118.66 1xai h GLN 44 Ca 0.23 0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.49 1xai h GLN 44 Cb 0.12 0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 1xai h GLN 44 CO -0.03 -0.38 -0.14 0.66 -0.95 0.00 0.00 178.83 177.99 1xai n TYR 45 N -4.29 -0.10 -2.90 2.96 4.01 -0.76 -2.28 117.16 113.80 1xai n TYR 45 Ca -0.07 0.29 -0.43 0.00 -0.16 0.00 0.00 57.90 57.53 1xai n TYR 45 Cb 0.24 -0.46 0.01 0.00 -0.31 0.00 0.00 39.34 38.82 1xai n TYR 45 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xai n PHE 46 N -3.45 2.33 0.37 -0.72 3.01 -0.54 -4.84 117.46 113.61 1xai n PHE 46 Ca 0.00 -2.58 -0.17 0.00 1.01 0.00 0.00 57.45 55.72 1xai n PHE 46 Cb 0.06 -1.30 -0.09 0.00 -0.01 0.00 0.00 39.48 38.15 1xai n PHE 46 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xai h ALA 47 N 5.30 -1.22 0.00 4.37 0.00 -1.41 -3.29 119.26 123.01 1xai h ALA 47 Ca 0.26 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1xai h ALA 47 Cb 0.58 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1xai h ALA 47 CO 1.34 -1.19 -1.12 -0.91 0.00 0.00 0.00 179.25 177.38 1xai h ASN 48 N -1.04 0.00 -0.85 0.00 4.21 -1.89 -3.39 115.58 112.62 1xai h ASN 48 Ca -0.09 0.00 0.30 0.00 1.21 0.00 0.00 56.30 57.72 1xai h ASN 48 Cb 0.84 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 37.94 1xai h ASN 48 CO 0.08 0.18 0.53 0.29 -1.29 0.00 0.00 177.43 177.22 1xai n LYS 49 N -2.75 -0.03 -2.40 0.81 4.76 -1.24 -0.06 118.16 117.25 1xai n LYS 49 Ca -0.03 0.83 -0.29 0.00 -2.87 0.00 0.00 58.31 55.95 1xai n LYS 49 Cb 0.64 -1.61 0.01 0.00 -1.84 0.00 0.00 35.03 32.23 1xai n LYS 49 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1xai n PHE 50 N -4.08 3.36 -0.05 2.13 3.72 -1.26 -4.60 117.46 116.68 1xai n PHE 50 Ca 0.26 -3.01 -0.02 0.00 -0.05 0.00 0.00 57.45 54.63 1xai n PHE 50 Cb 0.98 -0.28 -0.12 0.00 -0.94 0.00 0.00 39.48 39.13 1xai n PHE 50 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1xai n ASP 51 N -0.48 1.42 0.25 4.37 10.43 0.91 -2.98 116.55 130.47 1xai n ASP 51 Ca 0.41 0.00 0.17 0.00 2.57 0.00 0.00 54.79 57.94 1xai n ASP 51 Cb 0.58 1.15 0.86 0.00 1.84 0.00 0.00 41.12 45.55 1xai n ASP 51 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 1xai h ASP 52 N 0.00 0.00 0.00 -2.24 3.45 -1.81 -2.89 116.42 112.92 1xai h ASP 52 Ca -0.26 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.20 1xai h ASP 52 Cb 1.49 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.26 1xai h ASP 52 CO 0.01 0.00 -0.02 2.30 -1.57 0.00 0.00 179.24 179.97 1xai n ILE 53 N -2.70 0.00 0.01 0.35 -0.00 -1.26 -4.85 119.36 110.91 1xai n ILE 53 Ca -0.01 -0.20 -0.19 0.00 -0.00 0.00 0.00 62.75 62.35 1xai n ILE 53 Cb 0.10 0.97 -0.14 0.00 -0.00 0.00 0.00 39.64 40.57 1xai n ILE 53 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 1xai h LEU 54 N 0.00 0.35 -3.15 7.28 6.46 -1.43 -3.37 115.31 121.46 1xai h LEU 54 Ca 0.00 -0.74 0.00 0.00 -0.12 0.00 0.00 57.88 57.02 1xai h LEU 54 Cb 0.00 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 39.81 1xai h LEU 54 CO 0.00 1.66 0.00 -1.54 -0.62 0.00 0.00 178.44 177.94 1xai n SER 55 N -3.41 1.71 -4.98 1.25 3.41 -1.10 -4.59 113.62 105.91 1xai n SER 55 Ca -0.27 -1.28 -0.19 0.00 -0.26 0.00 0.00 58.87 56.86 1xai n SER 55 Cb 1.05 -0.35 0.01 0.00 -0.26 0.00 0.00 64.21 64.67 1xai n SER 55 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1xai s TYR 56 N 1.08 2.40 -1.16 7.33 4.12 -1.26 -5.01 117.35 124.85 1xai s TYR 56 Ca 0.00 -0.52 0.29 0.00 0.02 0.00 0.00 57.07 56.85 1xai s TYR 56 Cb 0.00 -2.26 1.18 0.00 -1.52 0.00 0.00 41.96 39.36 1xai s TYR 56 CO 0.00 -0.52 1.87 0.39 0.02 0.00 0.00 175.55 177.31 1xai n GLU 57 N -1.86 0.16 -0.08 -0.62 1.02 -1.26 -4.04 120.64 113.95 1xai n GLU 57 Ca 0.08 -0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.04 1xai n GLU 57 Cb 0.61 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.46 1xai n GLU 57 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xai n ASN 58 N -1.39 1.89 -4.70 1.62 5.03 -1.26 -5.01 115.26 111.43 1xai n ASN 58 Ca 0.09 0.08 -0.42 0.00 0.87 0.00 0.00 54.58 55.20 1xai n ASN 58 Cb 0.31 -0.39 -0.03 0.00 -1.02 0.00 0.00 39.78 38.66 1xai n ASN 58 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1xai s VAL 59 N -2.31 2.81 -0.06 2.41 1.01 -1.25 -3.54 120.40 119.47 1xai s VAL 59 Ca -0.22 0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.24 1xai s VAL 59 Cb 0.07 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1xai s VAL 59 CO 0.32 0.02 -0.17 -1.00 0.00 0.00 0.00 175.10 174.27 1xai s HIS 60 N 1.87 1.76 -0.11 5.22 3.76 -0.46 -4.63 115.29 122.69 1xai s HIS 60 Ca 0.72 -0.58 -0.21 0.00 -0.15 0.00 0.00 55.06 54.84 1xai s HIS 60 Cb -0.42 -1.21 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 1xai s HIS 60 CO 0.32 -0.23 0.61 0.21 -0.85 0.00 0.00 174.74 174.80 1xai s LYS 61 N 0.26 4.36 -0.20 1.40 2.20 -1.26 -0.09 119.74 126.40 1xai s LYS 61 Ca -0.09 0.68 0.01 0.00 -0.36 0.00 0.00 55.97 56.21 1xai s LYS 61 Cb -0.14 -3.47 0.03 0.00 -1.51 0.00 0.00 37.83 32.74 1xai s LYS 61 CO 0.04 0.03 -0.16 0.08 -0.36 0.00 0.00 175.35 174.97 1xai s VAL 62 N 0.99 2.23 -0.37 4.02 1.01 0.41 -4.90 120.40 123.79 1xai s VAL 62 Ca 0.32 -1.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 1xai s VAL 62 Cb -0.16 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1xai s VAL 62 CO 0.14 0.40 0.25 -0.63 0.00 0.00 0.00 175.10 175.25 1xai s ILE 63 N 1.27 5.03 0.53 2.22 1.01 -1.26 -0.45 121.20 129.55 1xai s ILE 63 Ca 0.02 -0.55 0.07 0.00 0.00 0.00 0.00 60.65 60.19 1xai s ILE 63 Cb -0.15 -3.72 0.06 0.00 0.01 0.00 0.00 42.46 38.66 1xai s ILE 63 CO -0.10 -0.17 0.72 0.27 0.00 0.00 0.00 174.94 175.67 1xai s ILE 64 N 1.66 2.53 0.71 2.92 -4.36 -1.16 -4.94 121.20 118.55 1xai s ILE 64 Ca 0.05 -0.93 -0.16 0.00 -0.26 0.00 0.00 60.65 59.35 1xai s ILE 64 Cb -0.18 -2.61 0.03 0.00 1.25 0.00 0.00 42.46 40.94 1xai s ILE 64 CO 0.09 0.00 1.22 -2.84 0.24 0.00 0.00 174.94 173.65 1xai s PRO 65 N -4.60 2.26 -0.07 0.37 0.02 -1.26 -2.43 135.00 129.30 1xai s PRO 65 Ca 0.59 1.81 -0.30 0.00 0.02 0.00 0.00 61.00 63.12 1xai s PRO 65 Cb -0.08 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.54 1xai s PRO 65 CO 0.37 -1.75 1.80 0.00 -0.33 0.00 0.00 177.00 177.09 1xai s ALA 66 N -1.87 3.47 0.00 -1.55 0.00 -1.26 -4.33 121.76 116.22 1xai s ALA 66 Ca 0.76 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1xai s ALA 66 Cb -0.30 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 18.99 1xai s ALA 66 CO 0.43 -1.67 0.00 0.41 0.00 0.00 0.00 175.76 174.93 1xai n GLY 67 N 4.50 1.97 0.00 0.00 0.00 -1.26 -2.89 105.19 107.51 1xai n GLY 67 Ca 0.20 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1xai n GLY 67 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xai n GLU 68 N 9.85 0.00 -0.05 1.61 4.07 -1.26 -1.16 120.64 133.70 1xai n GLU 68 Ca 0.00 0.16 0.12 0.00 -0.06 0.00 0.00 57.16 57.38 1xai n GLU 68 Cb 0.00 -1.64 0.45 0.00 -0.06 0.00 0.00 31.44 30.19 1xai n GLU 68 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1xai n LYS 69 N -1.07 1.67 -0.02 5.31 5.02 -1.14 -3.58 118.16 124.34 1xai n LYS 69 Ca 0.00 -0.99 0.04 0.00 -2.02 0.00 0.00 58.31 55.34 1xai n LYS 69 Cb 0.14 -1.43 -0.11 0.00 -0.02 0.00 0.00 35.03 33.61 1xai n LYS 69 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1xai n THR 70 N 0.20 0.24 -0.95 -0.18 5.66 -0.30 -4.70 114.28 114.24 1xai n THR 70 Ca 0.17 -0.40 -0.21 0.00 -3.05 0.00 0.00 64.05 60.56 1xai n THR 70 Cb 0.33 -0.04 -0.09 0.00 -1.55 0.00 0.00 70.33 68.98 1xai n THR 70 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1xai n LYS 71 N -2.14 2.34 -4.44 1.09 5.02 -1.23 -4.59 118.16 114.19 1xai n LYS 71 Ca -0.08 -1.35 -0.22 0.00 -2.02 0.00 0.00 58.31 54.65 1xai n LYS 71 Cb 0.53 -2.27 -0.10 0.00 -0.02 0.00 0.00 35.03 33.16 1xai n LYS 71 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1xai s THR 72 N 1.97 1.68 0.10 -0.18 -4.23 -1.26 -0.31 115.64 113.41 1xai s THR 72 Ca 0.57 -2.12 -0.19 0.00 -1.18 0.00 0.00 61.69 58.76 1xai s THR 72 Cb 0.21 -2.50 -0.07 0.00 1.34 0.00 0.00 72.50 71.48 1xai s THR 72 CO -0.02 -0.27 1.66 -0.26 -0.54 0.00 0.00 174.62 175.19 1xai h PHE 73 N 2.23 0.34 -0.36 3.99 0.04 -1.89 -2.53 116.94 118.77 1xai h PHE 73 Ca -0.40 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.42 1xai h PHE 73 Cb 1.24 -0.10 -0.07 0.00 2.20 0.00 0.00 35.95 39.21 1xai h PHE 73 CO 0.68 0.35 -0.13 0.93 -0.60 0.00 0.00 178.31 179.54 1xai h GLU 74 N 0.24 -0.05 -0.19 1.51 3.07 -1.96 -1.49 114.58 115.70 1xai h GLU 74 Ca 0.08 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.87 1xai h GLU 74 Cb 0.14 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1xai h GLU 74 CO -0.01 -0.04 -0.22 0.37 -1.40 0.00 0.00 179.01 177.71 1xai h GLN 75 N -0.06 0.33 -0.32 2.33 5.75 -1.81 -2.86 115.11 118.48 1xai h GLN 75 Ca 0.18 -0.11 0.05 0.00 -0.15 0.00 0.00 58.65 58.62 1xai h GLN 75 Cb 0.32 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.80 1xai h GLN 75 CO -0.40 0.54 0.04 -0.92 -2.65 0.00 0.00 178.83 175.45 1xai h TYR 76 N 0.30 0.07 0.68 3.99 5.03 -0.83 -1.60 116.97 124.60 1xai h TYR 76 Ca 0.05 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.35 1xai h TYR 76 Cb 0.57 0.02 0.01 0.00 1.55 0.00 0.00 36.73 38.87 1xai h TYR 76 CO 0.01 -0.00 -0.33 0.37 -1.32 0.00 0.00 178.16 176.89 1xai h GLN 77 N 0.15 -0.88 -0.47 1.82 4.15 -1.30 -2.47 115.11 116.11 1xai h GLN 77 Ca 0.15 0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.68 1xai h GLN 77 Cb 0.18 0.20 -0.07 0.00 0.21 0.00 0.00 27.48 27.99 1xai h GLN 77 CO -0.21 -0.55 -0.45 1.49 -1.93 0.00 0.00 178.83 177.18 1xai h GLU 78 N -1.12 -0.21 -0.83 1.69 4.81 -1.43 0.15 114.58 117.64 1xai h GLU 78 Ca -0.09 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.25 1xai h GLU 78 Cb 0.73 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.08 1xai h GLU 78 CO 0.15 -0.14 0.47 1.15 -0.73 0.00 0.00 179.01 179.92 1xai h THR 79 N -0.21 0.89 0.28 0.32 2.02 -1.37 0.45 112.91 115.29 1xai h THR 79 Ca 0.08 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1xai h THR 79 Cb 0.42 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1xai h THR 79 CO -0.55 0.14 -0.14 -0.07 0.37 0.00 0.00 175.52 175.27 1xai h LEU 80 N 0.78 -0.32 -0.51 2.58 3.38 -0.86 -0.22 115.31 120.13 1xai h LEU 80 Ca 0.41 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.27 1xai h LEU 80 Cb 0.41 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1xai h LEU 80 CO -0.26 0.01 0.22 -0.33 0.09 0.00 0.00 178.44 178.16 1xai h GLU 81 N -0.68 0.41 -0.11 1.13 4.39 -0.41 0.16 114.58 119.47 1xai h GLU 81 Ca -0.04 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.68 1xai h GLU 81 Cb 0.47 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 1xai h GLU 81 CO 0.06 0.27 -0.17 -0.92 -1.16 0.00 0.00 179.01 177.09 1xai h TYR 82 N 0.42 -0.45 0.32 4.33 5.03 -0.06 -2.12 116.97 124.44 1xai h TYR 82 Ca 0.24 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.57 1xai h TYR 82 Cb 0.22 0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.69 1xai h TYR 82 CO -0.14 -0.25 -0.39 0.82 -1.32 0.00 0.00 178.16 176.88 1xai h ILE 83 N -0.23 0.00 -1.11 1.81 5.03 0.25 -2.85 117.51 120.42 1xai h ILE 83 Ca 0.09 0.00 0.32 0.00 -0.12 0.00 0.00 64.86 65.15 1xai h ILE 83 Cb 0.36 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.03 1xai h ILE 83 CO -0.25 0.00 0.69 -0.07 -0.68 0.00 0.00 178.15 177.85 1xai h LEU 84 N -0.73 0.42 0.00 1.44 3.38 -0.60 -0.42 115.31 118.81 1xai h LEU 84 Ca -0.04 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xai h LEU 84 Cb 0.65 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1xai h LEU 84 CO -0.09 -0.03 0.00 -1.54 0.09 0.00 0.00 178.44 176.87 1xai n SER 85 N -4.75 0.00 -0.80 -0.43 3.41 -0.81 -0.67 113.62 109.57 1xai n SER 85 Ca 0.30 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.98 1xai n SER 85 Cb 1.04 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 65.23 1xai n SER 85 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xai n HIS 86 N -0.61 0.82 -4.09 7.33 8.25 -0.17 -4.99 115.22 121.76 1xai n HIS 86 Ca 0.00 -0.99 -0.46 0.00 -0.26 0.00 0.00 57.72 56.00 1xai n HIS 86 Cb 0.00 -0.31 0.02 0.00 1.12 0.00 0.00 29.99 30.81 1xai n HIS 86 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1xai n HIS 87 N -0.74 -1.32 -0.39 4.41 -0.00 0.16 -4.92 115.22 112.42 1xai n HIS 87 Ca 0.22 0.05 0.00 0.00 -0.00 0.00 0.00 57.72 57.99 1xai n HIS 87 Cb 0.87 -2.67 0.00 0.00 -0.00 0.00 0.00 29.99 28.19 1xai n HIS 87 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 1xai n VAL 88 N -4.99 0.00 -4.14 1.59 0.24 -1.26 -5.10 118.33 104.68 1xai n VAL 88 Ca -0.11 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.08 1xai n VAL 88 Cb 0.55 -0.85 -0.09 0.00 -1.47 0.00 0.00 33.84 31.98 1xai n VAL 88 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1xai s THR 89 N -0.92 0.00 -0.73 3.34 -4.23 -1.26 -5.02 115.64 106.82 1xai s THR 89 Ca 0.00 -1.82 0.18 0.00 -1.18 0.00 0.00 61.69 58.87 1xai s THR 89 Cb 0.00 -2.39 0.17 0.00 1.34 0.00 0.00 72.50 71.62 1xai s THR 89 CO 0.00 -0.02 1.55 0.54 -0.54 0.00 0.00 174.62 176.15 1xai n ARG 90 N -0.30 0.09 -2.49 3.99 1.74 -1.26 -3.06 116.66 115.37 1xai n ARG 90 Ca 0.01 0.36 -0.34 0.00 -0.77 0.00 0.00 57.85 57.11 1xai n ARG 90 Cb 0.65 -1.68 0.01 0.00 -1.02 0.00 0.00 32.46 30.41 1xai n ARG 90 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1xai n ASN 91 N -1.86 6.12 -4.66 0.55 5.15 -1.26 -4.47 115.26 114.83 1xai n ASN 91 Ca 0.02 -3.74 -0.24 0.00 -0.60 0.00 0.00 54.58 50.03 1xai n ASN 91 Cb 0.17 -0.84 -0.08 0.00 -0.53 0.00 0.00 39.78 38.51 1xai n ASN 91 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1xai s THR 92 N -4.84 2.80 0.04 -0.44 2.01 -1.17 -1.56 115.64 112.47 1xai s THR 92 Ca 0.47 -1.90 0.04 0.00 0.31 0.00 0.00 61.69 60.62 1xai s THR 92 Cb 0.33 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 1xai s THR 92 CO -0.22 -0.21 -0.13 0.00 -0.69 0.00 0.00 174.62 173.37 1xai s ALA 93 N -2.48 1.06 -0.20 7.40 0.00 -0.56 -1.14 121.76 125.85 1xai s ALA 93 Ca 0.35 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 1xai s ALA 93 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1xai s ALA 93 CO 0.20 0.18 -0.03 0.42 0.00 0.00 0.00 175.76 176.53 1xai s ILE 94 N -0.95 3.64 -0.38 0.00 -1.09 0.18 -0.98 121.20 121.63 1xai s ILE 94 Ca -0.00 -0.42 -0.11 0.00 -2.23 0.00 0.00 60.65 57.89 1xai s ILE 94 Cb -0.08 -2.64 0.04 0.00 -1.58 0.00 0.00 42.46 38.19 1xai s ILE 94 CO 0.01 0.43 0.22 -0.63 -1.23 0.00 0.00 174.94 173.75 1xai s ILE 95 N 1.13 4.55 -0.16 2.92 1.09 -0.55 -0.76 121.20 129.42 1xai s ILE 95 Ca 0.02 -0.94 -0.22 0.00 -1.10 0.00 0.00 60.65 58.41 1xai s ILE 95 Cb -0.15 -3.58 -0.03 0.00 -1.06 0.00 0.00 42.46 37.65 1xai s ILE 95 CO 0.00 -0.28 0.69 0.00 -0.10 0.00 0.00 174.94 175.25 1xai s ALA 96 N 1.54 3.49 -0.40 9.38 0.00 -0.24 -1.48 121.76 134.05 1xai s ALA 96 Ca 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1xai s ALA 96 Cb -0.20 -3.01 0.13 0.00 0.00 0.00 0.00 23.12 20.04 1xai s ALA 96 CO 0.06 -0.44 0.20 0.08 0.00 0.00 0.00 175.76 175.66 1xai s VAL 97 N 1.64 1.11 -3.71 0.00 1.01 -0.94 -0.27 120.40 119.24 1xai s VAL 97 Ca 0.33 -2.18 0.00 0.00 0.00 0.00 0.00 61.98 60.13 1xai s VAL 97 Cb -0.16 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1xai s VAL 97 CO 0.13 -0.86 0.00 0.61 0.00 0.00 0.00 175.10 174.97 1xai n GLY 98 N 3.90 -0.52 0.00 4.51 0.00 -1.19 -3.61 105.19 108.27 1xai n GLY 98 Ca 0.07 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1xai n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xai n GLY 99 N 0.00 -2.73 0.11 -0.02 0.00 -1.26 -2.73 105.19 98.56 1xai n GLY 99 Ca 0.00 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 1xai n GLY 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xai h GLY 100 N 0.00 0.17 0.70 -0.02 0.00 -1.95 -2.89 103.07 99.08 1xai h GLY 100 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1xai h GLY 100 CO 0.00 0.29 -0.10 0.00 0.00 0.00 0.00 176.54 176.73 1xai h ALA 101 N 0.96 -0.28 0.00 3.60 0.00 -1.91 0.53 119.26 122.16 1xai h ALA 101 Ca -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1xai h ALA 101 Cb 1.59 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 1xai h ALA 101 CO 0.14 -0.50 -0.06 1.79 0.00 0.00 0.00 179.25 180.62 1xai h THR 102 N -0.59 0.47 -0.06 0.00 1.35 -1.81 -2.17 112.91 110.10 1xai h THR 102 Ca -0.03 -0.27 -0.05 0.00 -0.55 0.00 0.00 66.41 65.51 1xai h THR 102 Cb 0.43 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1xai h THR 102 CO 0.05 0.06 -0.15 1.23 -0.25 0.00 0.00 175.52 176.45 1xai h GLY 103 N 0.47 0.22 0.98 5.82 0.00 -1.22 -1.65 103.07 107.70 1xai h GLY 103 Ca -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1xai h GLY 103 CO 0.01 0.25 0.23 -0.55 0.00 0.00 0.00 176.54 176.47 1xai h ASP 104 N -0.32 0.45 0.58 0.19 3.45 -0.53 -1.44 116.42 118.80 1xai h ASP 104 Ca -0.00 -0.05 -0.03 0.00 0.43 0.00 0.00 57.03 57.38 1xai h ASP 104 Cb 0.76 -0.11 0.01 0.00 -0.56 0.00 0.00 39.33 39.42 1xai h ASP 104 CO 0.03 0.37 -0.28 0.15 -1.57 0.00 0.00 179.24 177.94 1xai h PHE 105 N 0.49 -0.72 -1.04 4.55 3.57 -1.41 -0.84 116.94 121.55 1xai h PHE 105 Ca 0.13 -0.02 0.27 0.00 3.53 0.00 0.00 57.97 61.89 1xai h PHE 105 Cb -0.00 0.24 -0.08 0.00 2.79 0.00 0.00 35.95 38.89 1xai h PHE 105 CO -0.04 -0.45 0.68 0.00 -2.23 0.00 0.00 178.31 176.28 1xai h ALA 106 N -1.62 2.37 -0.43 2.41 0.00 -1.34 0.16 119.26 120.82 1xai h ALA 106 Ca -0.08 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1xai h ALA 106 Cb 0.59 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1xai h ALA 106 CO 0.13 -0.75 -0.28 0.78 0.00 0.00 0.00 179.25 179.13 1xai h GLY 107 N 0.33 1.00 2.00 0.00 0.00 -1.08 0.55 103.07 105.86 1xai h GLY 107 Ca 0.57 -0.92 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 1xai h GLY 107 CO -0.23 0.84 -0.47 -2.75 0.00 0.00 0.00 176.54 173.93 1xai h PHE 108 N 0.78 0.00 0.28 5.60 3.57 0.44 0.15 116.94 127.76 1xai h PHE 108 Ca 0.09 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1xai h PHE 108 Cb 0.85 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1xai h PHE 108 CO 0.05 0.47 -0.14 0.28 -2.23 0.00 0.00 178.31 176.74 1xai h VAL 109 N 0.00 0.51 -0.95 1.41 2.07 -0.76 -3.01 116.25 115.52 1xai h VAL 109 Ca -0.00 -0.84 0.09 0.00 0.82 0.00 0.00 66.70 66.76 1xai h VAL 109 Cb 1.04 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.58 1xai h VAL 109 CO 0.06 0.12 0.59 0.00 0.02 0.00 0.00 177.57 178.37 1xai h ALA 110 N -0.60 1.35 0.00 1.67 0.00 -0.82 -0.02 119.26 120.84 1xai h ALA 110 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xai h ALA 110 Cb 0.49 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xai h ALA 110 CO 0.06 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.60 1xai h ALA 111 N 1.47 1.00 0.00 0.00 0.00 -0.74 -1.07 119.26 119.92 1xai h ALA 111 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1xai h ALA 111 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xai h ALA 111 CO -0.21 0.00 -0.23 0.25 0.00 0.00 0.00 179.25 179.06 1xai n THR 112 N -3.01 0.00 -1.93 0.00 -2.24 -0.73 -3.37 114.28 103.00 1xai n THR 112 Ca -0.00 -0.39 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 1xai n THR 112 Cb 0.22 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.41 1xai n THR 112 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xai s LEU 113 N -2.23 4.35 -1.29 3.22 2.96 -0.10 -2.17 118.68 123.42 1xai s LEU 113 Ca 0.02 2.38 -0.11 0.00 -0.22 0.00 0.00 54.13 56.20 1xai s LEU 113 Cb 0.03 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.27 1xai s LEU 113 CO 0.18 -0.93 0.50 0.18 -1.32 0.00 0.00 176.35 174.96 1xai n LEU 114 N 6.73 -1.40 -0.46 -0.68 4.77 -1.26 0.72 117.00 125.42 1xai n LEU 114 Ca 0.17 -0.47 -0.06 0.00 -0.03 0.00 0.00 56.01 55.62 1xai n LEU 114 Cb 0.42 -2.00 -0.03 0.00 -2.33 0.00 0.00 43.42 39.49 1xai n LEU 114 CO 0.63 0.16 -0.06 0.54 -1.33 0.00 0.00 177.39 177.33 1xai n ARG 115 N -3.75 -0.72 0.00 3.23 1.74 -0.92 -4.82 116.66 111.42 1xai n ARG 115 Ca 0.01 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 1xai n ARG 115 Cb 0.52 -4.42 0.00 0.00 -1.02 0.00 0.00 32.46 27.55 1xai n ARG 115 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xai n GLY 116 N -1.64 3.36 0.00 -0.13 0.00 0.22 -4.81 105.19 102.19 1xai n GLY 116 Ca -0.06 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1xai n GLY 116 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xai n VAL 117 N 0.00 0.00 -3.08 1.61 0.24 -0.41 -4.89 118.33 111.80 1xai n VAL 117 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.91 1xai n VAL 117 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 1xai n VAL 117 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1xai s HIS 118 N -0.30 3.83 -0.15 6.34 3.76 -0.29 -4.78 115.29 123.69 1xai s HIS 118 Ca 0.00 1.46 0.00 0.00 -0.15 0.00 0.00 55.06 56.38 1xai s HIS 118 Cb 0.00 -2.69 0.02 0.00 1.11 0.00 0.00 32.58 31.03 1xai s HIS 118 CO 0.00 0.47 -0.15 0.12 -0.85 0.00 0.00 174.74 174.34 1xai s PHE 119 N -0.83 2.24 -0.32 1.40 5.99 -1.26 0.52 117.98 125.72 1xai s PHE 119 Ca 0.34 -1.28 -0.02 0.00 0.00 0.00 0.00 56.93 55.97 1xai s PHE 119 Cb -0.21 -1.63 0.06 0.00 0.00 0.00 0.00 43.02 41.24 1xai s PHE 119 CO 0.23 -0.69 0.03 0.42 -0.00 0.00 0.00 175.22 175.21 1xai s ILE 120 N 1.46 2.98 -0.14 3.12 1.09 0.06 0.17 121.20 129.94 1xai s ILE 120 Ca 0.05 -1.53 -0.29 0.00 -1.10 0.00 0.00 60.65 57.77 1xai s ILE 120 Cb -0.13 -2.79 -0.01 0.00 -1.06 0.00 0.00 42.46 38.48 1xai s ILE 120 CO -0.11 -0.21 1.01 -1.10 -0.10 0.00 0.00 174.94 174.43 1xai s GLN 121 N 1.22 4.38 -0.52 2.79 -1.52 -0.73 -1.08 119.66 124.19 1xai s GLN 121 Ca -0.03 1.38 0.07 0.00 -1.95 0.00 0.00 55.36 54.83 1xai s GLN 121 Cb -0.20 -3.57 0.27 0.00 -0.22 0.00 0.00 33.01 29.29 1xai s GLN 121 CO -0.02 -0.40 0.68 0.28 -0.25 0.00 0.00 175.29 175.58 1xai n VAL 122 N 4.76 1.11 -1.65 1.09 0.31 0.63 0.94 118.33 125.51 1xai n VAL 122 Ca 0.10 -4.76 -0.37 0.00 -0.01 0.00 0.00 64.34 59.29 1xai n VAL 122 Cb 0.48 -1.83 0.06 0.00 -0.91 0.00 0.00 33.84 31.64 1xai n VAL 122 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1xai n PRO 123 N 0.90 0.97 -0.09 5.55 -0.04 -1.25 -3.20 135.00 137.84 1xai n PRO 123 Ca 0.26 0.38 0.01 0.00 -0.04 0.00 0.00 63.50 64.11 1xai n PRO 123 Cb 0.47 -2.29 0.01 0.00 -0.04 0.00 0.00 33.50 31.65 1xai n PRO 123 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xai n THR 124 N -1.80 0.42 -4.43 0.52 -2.24 -1.11 -4.40 114.28 101.24 1xai n THR 124 Ca 0.14 -0.45 -0.22 0.00 -2.27 0.00 0.00 64.05 61.26 1xai n THR 124 Cb 0.48 0.68 -0.09 0.00 -2.10 0.00 0.00 70.33 69.30 1xai n THR 124 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xai s THR 125 N -0.50 0.66 0.05 4.28 -1.32 -1.26 -4.62 115.64 112.92 1xai s THR 125 Ca 0.03 -2.00 -0.15 0.00 -1.21 0.00 0.00 61.69 58.36 1xai s THR 125 Cb 0.02 -2.53 -0.31 0.00 -1.51 0.00 0.00 72.50 68.17 1xai s THR 125 CO 0.00 0.00 1.07 0.40 -2.21 0.00 0.00 174.62 173.88 1xai h ILE 126 N 2.05 1.28 0.00 5.08 2.04 -1.92 -3.27 117.51 122.77 1xai h ILE 126 Ca -0.36 -2.54 -0.03 0.00 1.00 0.00 0.00 64.86 62.93 1xai h ILE 126 Cb 1.26 2.80 -0.00 0.00 -0.74 0.00 0.00 36.82 40.14 1xai h ILE 126 CO 0.59 0.77 -0.15 0.25 0.00 0.00 0.00 178.15 179.61 1xai h LEU 127 N 0.24 0.00 0.00 1.44 6.46 -1.85 -1.91 115.31 119.69 1xai h LEU 127 Ca -0.21 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1xai h LEU 127 Cb 2.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.93 1xai h LEU 127 CO 0.25 0.15 0.00 0.00 -0.62 0.00 0.00 178.44 178.22 1xai n ALA 128 N -2.51 2.32 0.20 1.25 0.00 -1.23 -1.27 120.51 119.27 1xai n ALA 128 Ca -0.03 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.40 1xai n ALA 128 Cb 0.22 -1.26 0.28 0.00 0.00 0.00 0.00 19.45 18.69 1xai n ALA 128 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1xai h HIS 129 N 0.00 0.00 0.00 0.00 2.07 -1.49 -2.71 115.15 113.02 1xai h HIS 129 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1xai h HIS 129 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1xai h HIS 129 CO 0.00 0.24 -0.15 -3.47 -3.07 0.00 0.00 177.93 171.49 1xai n ASP 130 N -3.25 0.52 0.19 3.10 2.03 -0.40 -4.47 116.55 114.28 1xai n ASP 130 Ca 0.02 0.36 0.18 0.00 0.52 0.00 0.00 54.79 55.87 1xai n ASP 130 Cb 0.54 -0.61 0.80 0.00 -0.72 0.00 0.00 41.12 41.13 1xai n ASP 130 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1xai h SER 131 N -0.29 0.00 0.46 1.67 4.64 -1.61 -2.10 113.55 116.32 1xai h SER 131 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xai h SER 131 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1xai h SER 131 CO 0.00 0.00 -0.09 -1.54 -0.87 0.00 0.00 176.83 174.33 1xai n SER 132 N -3.51 0.32 -4.33 4.97 3.41 -1.02 -4.79 113.62 108.68 1xai n SER 132 Ca 0.03 -0.38 -0.31 0.00 -0.26 0.00 0.00 58.87 57.95 1xai n SER 132 Cb 0.46 -0.14 -0.16 0.00 -0.26 0.00 0.00 64.21 64.12 1xai n SER 132 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xai s VAL 133 N -2.56 2.15 0.00 -3.33 1.01 -0.79 -4.69 120.40 112.19 1xai s VAL 133 Ca 0.27 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1xai s VAL 133 Cb 0.20 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1xai s VAL 133 CO 0.49 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.78 1xai n GLY 134 N 2.44 2.46 2.50 4.51 0.00 -1.26 -4.69 105.19 111.14 1xai n GLY 134 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1xai n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xai n GLY 135 N -0.48 0.88 3.65 -0.02 0.00 -1.26 -4.84 105.19 103.11 1xai n GLY 135 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1xai n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xai s LYS 136 N -0.12 4.12 0.37 1.61 1.02 -1.26 -1.27 119.74 124.21 1xai s LYS 136 Ca 0.00 1.33 0.04 0.00 0.02 0.00 0.00 55.97 57.36 1xai s LYS 136 Cb 0.00 -3.75 -0.05 0.00 -0.52 0.00 0.00 37.83 33.51 1xai s LYS 136 CO 0.00 -0.84 0.08 0.14 -0.92 0.00 0.00 175.35 173.81 1xai s VAL 137 N 3.67 1.02 -5.00 3.17 -7.23 -0.88 -4.79 120.40 110.35 1xai s VAL 137 Ca 0.50 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1xai s VAL 137 Cb -0.16 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1xai s VAL 137 CO 0.15 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 1xai n GLY 138 N -0.81 -0.76 2.64 2.32 0.00 -0.44 -2.21 105.19 105.92 1xai n GLY 138 Ca -0.05 -1.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.11 1xai n GLY 138 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xai n ILE 139 N -0.00 0.00 -4.01 -0.61 -5.35 0.26 -3.36 119.36 106.28 1xai n ILE 139 Ca 0.00 -1.80 -0.22 0.00 -0.27 0.00 0.00 62.75 60.47 1xai n ILE 139 Cb 0.00 0.49 -0.04 0.00 -1.74 0.00 0.00 39.64 38.34 1xai n ILE 139 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1xai s ASN 140 N -3.00 5.36 0.51 7.28 0.01 0.57 -2.77 114.94 122.90 1xai s ASN 140 Ca 0.07 -0.38 0.03 0.00 -0.71 0.00 0.00 52.86 51.87 1xai s ASN 140 Cb 0.00 -1.19 0.00 0.00 0.41 0.00 0.00 41.25 40.48 1xai s ASN 140 CO 0.05 -0.16 0.17 -0.55 -1.51 0.00 0.00 177.10 175.10 1xai s SER 141 N -3.89 4.35 0.29 -1.22 0.15 0.41 -4.54 113.70 109.24 1xai s SER 141 Ca 0.36 -1.44 0.26 0.00 0.70 0.00 0.00 55.95 55.82 1xai s SER 141 Cb -0.07 0.39 0.82 0.00 -1.71 0.00 0.00 66.02 65.45 1xai s SER 141 CO 0.25 -0.92 1.75 0.11 1.20 0.00 0.00 173.24 175.63 1xai h LYS 142 N 1.13 0.00 0.00 5.44 1.57 -2.01 -3.07 116.57 119.64 1xai h LYS 142 Ca -0.41 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.23 1xai h LYS 142 Cb 1.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 1xai h LYS 142 CO 0.67 0.00 -1.11 1.96 -0.57 0.00 0.00 179.45 180.40 1xai h GLN 143 N 0.00 0.00 0.00 3.15 1.08 -2.02 -3.50 115.11 113.82 1xai h GLN 143 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1xai h GLN 143 Cb 0.68 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1xai h GLN 143 CO 0.00 0.34 0.00 0.41 -0.95 0.00 0.00 178.83 178.63 1xai n GLY 144 N 1.33 -2.00 3.76 3.46 0.00 -1.16 -4.92 105.19 105.66 1xai n GLY 144 Ca -0.05 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 1xai n GLY 144 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xai s LYS 145 N -1.81 4.67 -1.36 1.61 2.20 -1.26 -0.44 119.74 123.35 1xai s LYS 145 Ca 0.00 1.60 -0.02 0.00 -0.36 0.00 0.00 55.97 57.19 1xai s LYS 145 Cb 0.00 -3.11 -0.00 0.00 -1.51 0.00 0.00 37.83 33.21 1xai s LYS 145 CO 0.00 0.30 0.50 0.09 -0.36 0.00 0.00 175.35 175.88 1xai n ASN 146 N 1.10 -0.98 -0.42 1.43 3.02 -1.17 -4.88 115.26 113.36 1xai n ASN 146 Ca -0.00 -0.98 0.11 0.00 -0.03 0.00 0.00 54.58 53.68 1xai n ASN 146 Cb 0.47 -3.24 0.06 0.00 -0.61 0.00 0.00 39.78 36.45 1xai n ASN 146 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1xai n LEU 147 N -4.36 1.78 -3.76 3.41 4.32 -1.12 -4.82 117.00 112.46 1xai n LEU 147 Ca -0.29 -0.65 -0.15 0.00 -0.02 0.00 0.00 56.01 54.90 1xai n LEU 147 Cb 0.67 -0.02 -0.16 0.00 -1.62 0.00 0.00 43.42 42.29 1xai n LEU 147 CO 0.73 0.34 -0.33 -0.63 -1.22 0.00 0.00 177.39 176.27 1xai s ILE 148 N -2.52 -0.07 -1.81 -0.08 1.09 -1.23 -4.99 121.20 111.59 1xai s ILE 148 Ca 0.19 0.24 0.00 0.00 -1.10 0.00 0.00 60.65 59.98 1xai s ILE 148 Cb 0.18 -0.11 0.00 0.00 -1.06 0.00 0.00 42.46 41.47 1xai s ILE 148 CO 0.59 0.10 0.00 0.61 -0.10 0.00 0.00 174.94 176.13 1xai n GLY 149 N 4.33 -0.70 3.63 6.18 0.00 -1.26 -0.58 105.19 116.79 1xai n GLY 149 Ca -0.25 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 1xai n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xai s ALA 150 N -1.00 -2.05 -0.43 4.61 0.00 -0.94 -4.94 121.76 117.01 1xai s ALA 150 Ca 0.00 0.83 -0.18 0.00 0.00 0.00 0.00 51.96 52.61 1xai s ALA 150 Cb 0.00 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.45 1xai s ALA 150 CO 0.00 -0.91 0.46 -0.06 0.00 0.00 0.00 175.76 175.25 1xai s PHE 151 N -2.65 3.16 -0.15 0.00 0.40 -1.26 -2.07 117.98 115.41 1xai s PHE 151 Ca 0.12 -0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 56.04 1xai s PHE 151 Cb 0.02 -2.97 0.05 0.00 0.51 0.00 0.00 43.02 40.63 1xai s PHE 151 CO -0.03 -0.74 0.03 -0.47 0.70 0.00 0.00 175.22 174.71 1xai s TYR 152 N 2.19 0.82 -0.06 0.36 6.14 -0.40 -5.02 117.35 121.39 1xai s TYR 152 Ca 0.13 -0.57 -0.30 0.00 0.64 0.00 0.00 57.07 56.97 1xai s TYR 152 Cb -0.17 -0.92 -0.05 0.00 0.42 0.00 0.00 41.96 41.24 1xai s TYR 152 CO 0.14 -0.50 1.56 1.03 0.64 0.00 0.00 175.55 178.41 1xai s ARG 153 N 1.92 4.20 0.57 4.97 0.52 -1.26 -4.43 118.95 125.44 1xai s ARG 153 Ca 0.01 2.09 -0.18 0.00 -0.52 0.00 0.00 55.73 57.13 1xai s ARG 153 Cb -0.15 -3.88 -0.04 0.00 0.52 0.00 0.00 34.95 31.39 1xai s ARG 153 CO -0.07 -0.79 1.13 -1.25 0.02 0.00 0.00 175.30 174.34 1xai s PRO 154 N 3.68 3.19 0.31 3.54 0.04 -1.26 -4.79 135.00 139.72 1xai s PRO 154 Ca 0.69 1.58 0.02 0.00 0.04 0.00 0.00 61.00 63.33 1xai s PRO 154 Cb -0.32 -1.99 0.52 0.00 0.04 0.00 0.00 34.50 32.75 1xai s PRO 154 CO 0.27 -0.97 1.85 1.15 0.04 0.00 0.00 177.00 179.34 1xai h THR 155 N 0.90 1.21 -1.77 1.26 2.02 0.13 -3.42 112.91 113.23 1xai h THR 155 Ca -0.49 -0.79 0.11 0.00 0.77 0.00 0.00 66.41 66.01 1xai h THR 155 Cb 1.26 0.82 -0.20 0.00 -1.74 0.00 0.00 68.15 68.29 1xai h THR 155 CO 0.56 0.28 0.56 0.00 0.37 0.00 0.00 175.52 177.29 1xai s ALA 156 N -5.08 -1.91 -0.09 6.16 0.00 -1.21 -4.13 121.76 115.49 1xai s ALA 156 Ca -0.09 1.41 0.03 0.00 0.00 0.00 0.00 51.96 53.32 1xai s ALA 156 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1xai s ALA 156 CO 0.78 -0.45 -0.19 0.08 0.00 0.00 0.00 175.76 175.97 1xai s VAL 157 N -1.86 2.52 -0.38 0.00 1.01 -0.19 -1.78 120.40 119.71 1xai s VAL 157 Ca 0.02 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1xai s VAL 157 Cb -0.01 -1.99 0.11 0.00 0.00 0.00 0.00 36.38 34.50 1xai s VAL 157 CO -0.02 0.56 0.14 -0.63 0.00 0.00 0.00 175.10 175.14 1xai s ILE 158 N 0.05 1.76 -0.93 2.22 1.01 0.27 -0.11 121.20 125.47 1xai s ILE 158 Ca -0.08 -2.30 -0.13 0.00 0.00 0.00 0.00 60.65 58.14 1xai s ILE 158 Cb -0.15 -2.28 0.22 0.00 0.01 0.00 0.00 42.46 40.27 1xai s ILE 158 CO 0.05 -0.72 0.93 -0.47 0.00 0.00 0.00 174.94 174.73 1xai s TYR 159 N 0.78 3.82 -0.37 3.97 6.04 0.15 -3.75 117.35 127.99 1xai s TYR 159 Ca 0.13 -2.13 -0.29 0.00 0.04 0.00 0.00 57.07 54.83 1xai s TYR 159 Cb -0.21 -3.90 0.00 0.00 -1.04 0.00 0.00 41.96 36.82 1xai s TYR 159 CO -0.10 -1.05 1.43 0.34 -1.54 0.00 0.00 175.55 174.63 1xai s ASP 160 N 2.12 6.38 0.00 4.32 3.68 -1.26 -2.99 116.67 128.92 1xai s ASP 160 Ca 0.24 0.99 0.08 0.00 2.13 0.00 0.00 52.55 55.98 1xai s ASP 160 Cb -0.09 -2.54 0.45 0.00 -1.45 0.00 0.00 42.92 39.29 1xai s ASP 160 CO -0.08 -1.37 0.86 0.18 0.13 0.00 0.00 175.17 174.90 1xai n LEU 161 N 8.64 0.00 0.04 -1.34 4.77 0.30 -2.69 117.00 126.72 1xai n LEU 161 Ca 0.17 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.27 1xai n LEU 161 Cb 0.47 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.88 1xai n LEU 161 CO 0.68 0.00 0.59 0.47 -1.33 0.00 0.00 177.39 177.80 1xai n ASP 162 N -0.81 0.55 0.05 -1.43 9.92 -1.26 -3.70 116.55 119.86 1xai n ASP 162 Ca 0.06 0.19 0.12 0.00 -0.53 0.00 0.00 54.79 54.62 1xai n ASP 162 Cb 0.03 -0.12 0.47 0.00 -0.64 0.00 0.00 41.12 40.85 1xai n ASP 162 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1xai n PHE 163 N -1.88 0.35 0.35 1.24 3.72 -1.09 -3.20 117.46 116.94 1xai n PHE 163 Ca 0.05 0.12 0.14 0.00 -0.05 0.00 0.00 57.45 57.70 1xai n PHE 163 Cb 0.39 -0.69 0.40 0.00 -0.94 0.00 0.00 39.48 38.65 1xai n PHE 163 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1xai h LEU 164 N 0.00 0.00 0.00 4.37 3.38 -1.82 -3.17 115.31 118.07 1xai h LEU 164 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xai h LEU 164 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1xai h LEU 164 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1xai n LYS 165 N -2.80 0.15 -0.04 1.13 5.02 -1.19 -2.63 118.16 117.79 1xai n LYS 165 Ca 0.03 0.15 0.02 0.00 -2.02 0.00 0.00 58.31 56.49 1xai n LYS 165 Cb 0.41 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.96 1xai n LYS 165 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xai n THR 166 N -1.38 1.12 -2.97 -0.18 -2.24 -1.20 -5.02 114.28 102.41 1xai n THR 166 Ca 0.07 -1.15 -0.40 0.00 -2.27 0.00 0.00 64.05 60.30 1xai n THR 166 Cb 0.17 0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.76 1xai n THR 166 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xai s LEU 167 N -1.23 4.38 0.80 3.22 1.43 -1.08 -5.06 118.68 121.14 1xai s LEU 167 Ca 0.07 1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 54.43 1xai s LEU 167 Cb 0.05 -3.22 0.07 0.00 0.03 0.00 0.00 46.19 43.12 1xai s LEU 167 CO 0.03 -0.08 1.09 -2.84 0.23 0.00 0.00 176.35 174.77 1xai s PRO 168 N 0.47 2.05 0.22 1.29 0.02 -1.26 -4.87 135.00 132.93 1xai s PRO 168 Ca 0.40 0.74 -0.07 0.00 0.02 0.00 0.00 61.00 62.09 1xai s PRO 168 Cb -0.19 -1.91 0.19 0.00 0.02 0.00 0.00 34.50 32.61 1xai s PRO 168 CO 0.22 -1.67 1.82 0.35 -0.33 0.00 0.00 177.00 177.39 1xai h PHE 169 N -1.13 1.22 -0.68 6.54 -0.00 -1.97 -2.23 116.94 118.70 1xai h PHE 169 Ca -0.47 -0.05 0.20 0.00 -0.00 0.00 0.00 57.97 57.65 1xai h PHE 169 Cb 1.26 -0.38 -0.03 0.00 -0.00 0.00 0.00 35.95 36.80 1xai h PHE 169 CO 0.48 0.88 0.61 -0.22 -0.00 0.00 0.00 178.31 180.06 1xai h LYS 170 N 1.22 0.00 0.00 1.11 3.64 -2.00 0.22 116.57 120.76 1xai h LYS 170 Ca 0.30 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.56 1xai h LYS 170 Cb 0.10 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1xai h LYS 170 CO -0.04 0.00 -1.59 1.04 -2.27 0.00 0.00 179.45 176.59 1xai n GLN 171 N -3.89 0.64 0.17 1.90 1.13 -0.87 -2.74 117.38 113.71 1xai n GLN 171 Ca 0.14 0.07 -0.14 0.00 -1.94 0.00 0.00 57.00 55.13 1xai n GLN 171 Cb 0.86 -1.70 -0.08 0.00 0.11 0.00 0.00 30.24 29.43 1xai n GLN 171 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1xai h ILE 172 N 0.00 0.68 -0.25 5.09 1.08 -0.30 0.69 117.51 124.49 1xai h ILE 172 Ca -0.14 -0.47 0.05 0.00 -0.39 0.00 0.00 64.86 63.90 1xai h ILE 172 Cb 1.40 0.92 -0.04 0.00 -3.07 0.00 0.00 36.82 36.02 1xai h ILE 172 CO 0.02 0.09 -0.04 -0.07 -0.69 0.00 0.00 178.15 177.46 1xai h LEU 173 N -0.71 -0.18 0.19 1.44 3.38 -1.30 0.74 115.31 118.86 1xai h LEU 173 Ca -0.05 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1xai h LEU 173 Cb 0.49 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1xai h LEU 173 CO 0.07 -0.06 -0.24 -1.28 0.09 0.00 0.00 178.44 177.02 1xai h SER 174 N 0.03 -0.66 -0.08 -0.43 0.87 -1.36 -2.50 113.55 109.41 1xai h SER 174 Ca 0.12 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.67 1xai h SER 174 Cb 0.17 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1xai h SER 174 CO -0.24 -0.34 -0.18 1.23 -0.53 0.00 0.00 176.83 176.77 1xai h GLY 175 N -0.48 0.49 1.74 5.77 0.00 0.76 -2.93 103.07 108.42 1xai h GLY 175 Ca 0.01 -0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.01 1xai h GLY 175 CO -0.09 0.33 0.09 -1.82 0.00 0.00 0.00 176.54 175.06 1xai h TYR 176 N 0.42 0.00 0.00 5.60 5.03 0.88 -1.98 116.97 126.92 1xai h TYR 176 Ca 0.07 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.38 1xai h TYR 176 Cb 0.55 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.83 1xai h TYR 176 CO 0.02 0.00 -0.02 0.00 -1.32 0.00 0.00 178.16 176.84 1xai h ALA 177 N 1.93 1.75 0.13 1.82 0.00 -1.26 0.36 119.26 123.98 1xai h ALA 177 Ca 0.06 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.63 1xai h ALA 177 Cb 0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xai h ALA 177 CO -0.00 0.02 -1.65 0.93 0.00 0.00 0.00 179.25 178.55 1xai h GLU 178 N 0.00 0.27 -0.79 0.00 4.39 -1.53 -2.33 114.58 114.58 1xai h GLU 178 Ca -0.00 -0.46 -0.04 0.00 0.34 0.00 0.00 59.36 59.20 1xai h GLU 178 Cb 0.04 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 1xai h GLU 178 CO 0.00 1.13 0.32 0.28 -1.16 0.00 0.00 179.01 179.58 1xai h VAL 179 N 0.07 1.26 -0.28 3.13 2.07 -1.25 -2.00 116.25 119.25 1xai h VAL 179 Ca -0.29 -0.80 -0.17 0.00 0.82 0.00 0.00 66.70 66.26 1xai h VAL 179 Cb 2.04 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1xai h VAL 179 CO 0.15 0.33 -0.51 0.22 0.02 0.00 0.00 177.57 177.78 1xai h TYR 180 N 1.14 1.00 -0.53 1.57 5.03 -0.41 -3.14 116.97 121.62 1xai h TYR 180 Ca 0.26 -0.34 -0.02 0.00 2.58 0.00 0.00 58.73 61.21 1xai h TYR 180 Cb 0.20 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 1xai h TYR 180 CO 0.02 1.14 0.26 -0.22 -1.32 0.00 0.00 178.16 178.05 1xai h LYS 181 N 0.63 0.76 -0.01 1.82 3.64 -1.04 -0.65 116.57 121.72 1xai h LYS 181 Ca 0.02 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1xai h LYS 181 Cb 1.10 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1xai h LYS 181 CO 0.11 0.62 -0.15 0.45 -2.27 0.00 0.00 179.45 178.22 1xai h HIS 182 N 0.71 0.01 0.17 1.91 3.86 -1.43 -2.25 115.15 118.14 1xai h HIS 182 Ca 0.18 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 1xai h HIS 182 Cb 0.11 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1xai h HIS 182 CO -0.01 0.16 -0.08 0.00 0.86 0.00 0.00 177.93 178.86 1xai h ALA 183 N 1.84 -0.23 -0.89 2.45 0.00 -1.29 0.54 119.26 121.69 1xai h ALA 183 Ca 0.00 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 54.94 1xai h ALA 183 Cb 0.27 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1xai h ALA 183 CO 0.02 -0.45 0.60 -0.07 0.00 0.00 0.00 179.25 179.35 1xai h LEU 184 N -0.59 0.33 -0.08 0.00 3.38 -0.84 0.34 115.31 117.86 1xai h LEU 184 Ca -0.02 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1xai h LEU 184 Cb 0.44 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1xai h LEU 184 CO 0.04 0.13 -0.53 -0.07 0.09 0.00 0.00 178.44 178.10 1xai h LEU 185 N 0.33 0.00 0.00 1.67 4.07 -1.09 -3.23 115.31 117.06 1xai h LEU 185 Ca 0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.42 1xai h LEU 185 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1xai h LEU 185 CO -0.15 0.53 0.00 -3.20 -1.08 0.00 0.00 178.44 174.54 1xai n ASN 186 N -3.26 0.00 0.00 -0.43 2.85 0.12 -4.80 115.26 109.74 1xai n ASN 186 Ca 0.02 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1xai n ASN 186 Cb 0.73 -0.33 0.00 0.00 1.24 0.00 0.00 39.78 41.42 1xai n ASN 186 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xai n GLY 187 N 1.28 2.71 0.25 8.20 0.00 -1.03 -4.58 105.19 112.02 1xai n GLY 187 Ca 0.13 -2.11 0.11 0.00 0.00 0.00 0.00 46.02 44.15 1xai n GLY 187 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xai h GLU 188 N 0.00 0.00 0.38 1.61 4.81 -1.85 -2.76 114.58 116.76 1xai h GLU 188 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1xai h GLU 188 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1xai h GLU 188 CO 0.00 0.14 -0.18 1.03 -0.73 0.00 0.00 179.01 179.26 1xai h SER 189 N 0.00 -0.43 -0.26 1.04 0.87 -1.93 -2.74 113.55 110.10 1xai h SER 189 Ca -0.00 -0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.50 1xai h SER 189 Cb 0.34 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1xai h SER 189 CO 0.02 0.02 0.18 0.00 -0.53 0.00 0.00 176.83 176.51 1xai h ALA 190 N -0.83 2.02 0.44 6.23 0.00 -1.79 0.17 119.26 125.50 1xai h ALA 190 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1xai h ALA 190 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1xai h ALA 190 CO 0.08 -0.07 -0.21 1.15 0.00 0.00 0.00 179.25 180.21 1xai h THR 191 N 0.18 0.00 0.00 0.00 2.02 -1.57 0.10 112.91 113.64 1xai h THR 191 Ca 0.11 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 1xai h THR 191 Cb 0.23 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1xai h THR 191 CO -0.02 0.00 -0.00 1.56 0.37 0.00 0.00 175.52 177.43 1xai h GLN 192 N -1.02 0.00 0.19 6.66 4.20 -1.36 0.62 115.11 124.39 1xai h GLN 192 Ca -0.06 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.34 1xai h GLN 192 Cb 0.45 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.27 1xai h GLN 192 CO 0.10 0.00 -1.32 0.22 -0.67 0.00 0.00 178.83 177.16 1xai h ASP 193 N 0.00 0.84 0.45 1.46 3.58 -0.60 0.02 116.42 122.18 1xai h ASP 193 Ca -0.00 -0.88 -0.25 0.00 0.42 0.00 0.00 57.03 56.32 1xai h ASP 193 Cb 0.03 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 40.82 1xai h ASP 193 CO 0.00 1.65 -1.11 -0.29 -2.88 0.00 0.00 179.24 176.61 1xai h ILE 194 N 0.17 1.43 -0.10 2.25 2.10 -0.02 -1.95 117.51 121.39 1xai h ILE 194 Ca -0.22 -2.73 -0.04 0.00 1.08 0.00 0.00 64.86 62.96 1xai h ILE 194 Cb 2.01 2.69 -0.01 0.00 -1.09 0.00 0.00 36.82 40.42 1xai h ILE 194 CO 0.25 0.81 -0.11 -0.33 -1.08 0.00 0.00 178.15 177.68 1xai h GLU 195 N 0.16 0.16 -0.04 2.19 5.08 0.15 0.17 114.58 122.44 1xai h GLU 195 Ca -0.12 -0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 57.97 1xai h GLU 195 Cb 1.79 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.03 1xai h GLU 195 CO 0.19 0.28 -0.94 0.37 -1.00 0.00 0.00 179.01 177.91 1xai h GLN 196 N 0.15 0.64 0.19 2.33 4.15 -0.83 -3.28 115.11 118.46 1xai h GLN 196 Ca 0.03 -0.63 -0.01 0.00 0.77 0.00 0.00 58.65 58.81 1xai h GLN 196 Cb 0.30 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1xai h GLN 196 CO 0.02 1.24 -0.09 1.25 -1.93 0.00 0.00 178.83 179.31 1xai h HIS 197 N 0.38 -0.24 -1.78 3.99 2.76 -0.97 -3.37 115.15 115.93 1xai h HIS 197 Ca -0.09 -0.01 -0.73 0.00 -2.20 0.00 0.00 60.37 57.34 1xai h HIS 197 Cb 1.57 0.08 -0.15 0.00 1.55 0.00 0.00 27.41 30.46 1xai h HIS 197 CO 0.08 -0.09 1.64 1.19 -1.30 0.00 0.00 177.93 179.45 1xai n PHE 198 N -4.94 4.71 0.05 5.26 3.72 0.57 -4.78 117.46 122.04 1xai n PHE 198 Ca -0.04 -3.20 -0.14 0.00 -0.05 0.00 0.00 57.45 54.02 1xai n PHE 198 Cb 0.13 -2.27 -0.04 0.00 -0.94 0.00 0.00 39.48 36.35 1xai n PHE 198 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1xai h LYS 199 N 7.08 0.50 -3.37 -1.08 1.57 -1.74 -3.42 116.57 116.12 1xai h LYS 199 Ca 0.36 -0.49 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1xai h LYS 199 Cb 0.85 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.23 1xai h LYS 199 CO 1.34 1.13 0.06 0.16 -0.57 0.00 0.00 179.45 181.57 1xai s ASP 200 N -7.10 -0.02 0.15 0.86 1.47 -1.26 -4.63 116.67 106.15 1xai s ASP 200 Ca -0.07 -0.92 -0.22 0.00 1.18 0.00 0.00 52.55 52.52 1xai s ASP 200 Cb 0.09 0.69 0.04 0.00 -0.34 0.00 0.00 42.92 43.39 1xai s ASP 200 CO 0.87 -1.33 1.28 -1.14 0.68 0.00 0.00 175.17 175.53 1xai n ARG 201 N -0.45 -0.30 -0.19 2.11 0.63 -0.25 -1.10 116.66 117.10 1xai n ARG 201 Ca -0.03 1.26 0.15 0.00 -0.92 0.00 0.00 57.85 58.30 1xai n ARG 201 Cb 0.61 -1.85 0.47 0.00 0.45 0.00 0.00 32.46 32.14 1xai n ARG 201 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1xai h GLU 202 N 0.00 0.47 0.10 -0.14 5.08 -1.89 0.37 114.58 118.57 1xai h GLU 202 Ca 0.19 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1xai h GLU 202 Cb 0.39 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1xai h GLU 202 CO -0.79 0.31 -0.05 0.82 -1.00 0.00 0.00 179.01 178.30 1xai h ILE 203 N 0.48 1.13 0.52 3.13 1.08 -1.50 -1.58 117.51 120.77 1xai h ILE 203 Ca 0.39 -1.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.84 1xai h ILE 203 Cb 0.82 1.75 -0.01 0.00 -3.07 0.00 0.00 36.82 36.32 1xai h ILE 203 CO -0.14 0.24 -0.37 0.25 -0.69 0.00 0.00 178.15 177.44 1xai h LEU 204 N -0.61 -0.97 -1.19 1.44 6.46 -1.19 -1.29 115.31 117.97 1xai h LEU 204 Ca -0.01 0.06 0.36 0.00 -0.12 0.00 0.00 57.88 58.17 1xai h LEU 204 Cb 0.49 0.30 -0.14 0.00 -0.73 0.00 0.00 40.66 40.58 1xai h LEU 204 CO 0.02 -0.54 0.68 -0.61 -0.62 0.00 0.00 178.44 177.37 1xai h GLN 205 N -0.85 0.22 -0.03 1.25 4.15 -0.37 1.03 115.11 120.51 1xai h GLN 205 Ca -0.07 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.17 1xai h GLN 205 Cb 0.70 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 1xai h GLN 205 CO 0.04 0.14 -0.75 0.66 -1.93 0.00 0.00 178.83 176.99 1xai h SER 206 N 0.22 0.26 -0.20 -0.69 4.64 -0.72 -3.48 113.55 113.58 1xai h SER 206 Ca 0.75 -0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 61.81 1xai h SER 206 Cb 2.01 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.99 1xai h SER 206 CO -0.51 0.91 -0.08 0.18 -0.87 0.00 0.00 176.83 176.46 1xai n LEU 207 N -3.76 -0.29 -4.73 5.97 4.77 0.36 -5.02 117.00 114.30 1xai n LEU 207 Ca -0.03 0.10 -0.41 0.00 -0.03 0.00 0.00 56.01 55.64 1xai n LEU 207 Cb 0.72 -0.99 -0.04 0.00 -2.33 0.00 0.00 43.42 40.78 1xai n LEU 207 CO 0.46 -0.23 0.84 0.21 -1.33 0.00 0.00 177.39 177.34 1xai s ASN 208 N -2.90 7.17 -0.08 -1.43 3.84 -1.25 -2.56 114.94 117.73 1xai s ASN 208 Ca 0.00 2.09 0.00 0.00 0.21 0.00 0.00 52.86 55.16 1xai s ASN 208 Cb 0.00 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 1xai s ASN 208 CO 0.00 -0.33 0.00 0.61 -2.79 0.00 0.00 177.10 174.59 1xai n GLY 209 N 2.44 0.48 0.08 1.21 0.00 -1.26 -4.92 105.19 103.21 1xai n GLY 209 Ca 0.05 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 1xai n GLY 209 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1xai h MET 210 N 0.61 0.02 -1.56 1.61 4.05 -1.91 -3.22 114.93 114.53 1xai h MET 210 Ca -0.02 -0.03 0.49 0.00 -0.28 0.00 0.00 59.70 59.86 1xai h MET 210 Cb 0.13 0.01 -0.11 0.00 -0.80 0.00 0.00 31.60 30.84 1xai h MET 210 CO 0.02 1.01 1.07 -0.44 0.23 0.00 0.00 176.91 178.80 1xai h ASP 211 N -0.96 0.13 0.15 1.39 3.45 -1.91 0.36 116.42 119.03 1xai h ASP 211 Ca -0.03 0.08 -0.24 0.00 0.43 0.00 0.00 57.03 57.26 1xai h ASP 211 Cb 1.06 0.08 0.03 0.00 -0.56 0.00 0.00 39.33 39.93 1xai h ASP 211 CO -0.01 -0.11 -1.05 0.50 -1.57 0.00 0.00 179.24 177.00 1xai h LYS 212 N 0.04 0.44 0.00 3.56 3.11 -1.97 -3.14 116.57 118.61 1xai h LYS 212 Ca 0.85 -0.68 0.00 0.00 -2.81 0.00 0.00 60.65 58.01 1xai h LYS 212 Cb 3.03 0.24 0.00 0.00 -1.00 0.00 0.00 32.23 34.50 1xai h LYS 212 CO -0.25 1.31 0.00 0.66 -2.81 0.00 0.00 179.45 178.36 1xai n TYR 213 N -3.97 0.00 -0.10 1.91 4.02 0.12 -2.20 117.16 116.95 1xai n TYR 213 Ca -0.14 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.52 1xai n TYR 213 Cb 0.91 -0.29 -0.12 0.00 -0.02 0.00 0.00 39.34 39.83 1xai n TYR 213 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1xai n ILE 214 N -1.29 1.56 -0.25 -0.72 5.41 -0.69 -2.99 119.36 120.39 1xai n ILE 214 Ca 0.11 -0.13 0.06 0.00 1.00 0.00 0.00 62.75 63.80 1xai n ILE 214 Cb 0.19 -1.99 0.31 0.00 -0.71 0.00 0.00 39.64 37.43 1xai n ILE 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xai h ALA 215 N -0.49 1.64 0.00 -1.39 0.00 -1.49 0.37 119.26 117.90 1xai h ALA 215 Ca -0.40 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1xai h ALA 215 Cb 1.41 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1xai h ALA 215 CO -0.20 0.21 -0.31 -0.22 0.00 0.00 0.00 179.25 178.73 1xai h LYS 216 N 0.87 0.00 0.05 0.00 3.64 -1.59 -1.96 116.57 117.58 1xai h LYS 216 Ca 0.37 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.66 1xai h LYS 216 Cb 0.31 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1xai h LYS 216 CO -0.14 0.31 -0.39 0.78 -2.27 0.00 0.00 179.45 177.74 1xai h GLY 217 N 1.41 0.21 0.57 5.01 0.00 -0.33 -2.69 103.07 107.25 1xai h GLY 217 Ca -0.00 -0.45 0.04 0.00 0.00 0.00 0.00 47.33 46.91 1xai h GLY 217 CO 0.04 0.40 -0.10 -2.22 0.00 0.00 0.00 176.54 174.65 1xai h ILE 218 N -0.57 0.70 0.19 2.60 2.04 -0.63 -2.30 117.51 119.54 1xai h ILE 218 Ca -0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1xai h ILE 218 Cb 1.24 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1xai h ILE 218 CO 0.07 0.00 -0.41 -0.33 0.00 0.00 0.00 178.15 177.49 1xai h GLU 219 N -0.11 -0.66 -1.12 2.37 5.08 -1.46 0.38 114.58 119.06 1xai h GLU 219 Ca 0.09 0.05 0.33 0.00 -1.00 0.00 0.00 59.36 58.82 1xai h GLU 219 Cb 0.24 0.15 -0.12 0.00 0.50 0.00 0.00 28.75 29.52 1xai h GLU 219 CO -0.20 -0.44 0.71 1.15 -1.00 0.00 0.00 179.01 179.22 1xai h THR 220 N -0.69 0.35 0.06 1.13 2.02 -1.21 -0.34 112.91 114.24 1xai h THR 220 Ca 0.01 -0.10 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 1xai h THR 220 Cb 0.68 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1xai h THR 220 CO -0.20 0.05 -0.38 0.50 0.37 0.00 0.00 175.52 175.87 1xai h LYS 221 N 0.29 0.15 -1.04 6.66 3.64 -0.76 -3.20 116.57 122.31 1xai h LYS 221 Ca 0.70 -0.24 0.30 0.00 -1.27 0.00 0.00 60.65 60.13 1xai h LYS 221 Cb 1.87 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 33.74 1xai h LYS 221 CO -0.40 1.10 0.92 1.25 -2.27 0.00 0.00 179.45 180.05 1xai h LEU 222 N -0.67 0.00 0.02 5.20 6.46 0.77 0.45 115.31 127.54 1xai h LEU 222 Ca -0.07 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.63 1xai h LEU 222 Cb 1.28 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.22 1xai h LEU 222 CO 0.07 0.00 -0.24 0.44 -0.62 0.00 0.00 178.44 178.09 1xai h ASP 223 N 0.00 0.19 0.36 1.25 5.19 -1.42 -2.47 116.42 119.52 1xai h ASP 223 Ca 0.49 -0.84 -0.09 0.00 -0.62 0.00 0.00 57.03 55.97 1xai h ASP 223 Cb 2.33 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 41.77 1xai h ASP 223 CO -0.01 1.01 -0.41 0.40 -3.12 0.00 0.00 179.24 177.11 1xai h ILE 224 N -0.61 1.30 0.11 0.35 1.08 -0.21 -1.61 117.51 117.92 1xai h ILE 224 Ca -0.03 -1.45 -0.29 0.00 -0.39 0.00 0.00 64.86 62.69 1xai h ILE 224 Cb 1.06 1.74 -0.01 0.00 -3.07 0.00 0.00 36.82 36.54 1xai h ILE 224 CO 0.05 0.42 -1.42 -0.37 -0.69 0.00 0.00 178.15 176.14 1xai h VAL 225 N 0.06 1.28 -0.19 1.67 -1.51 -1.07 -2.25 116.25 114.25 1xai h VAL 225 Ca 0.00 -2.91 -0.20 0.00 -1.23 0.00 0.00 66.70 62.36 1xai h VAL 225 Cb 0.76 2.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.73 1xai h VAL 225 CO 0.06 0.84 -0.69 0.58 -1.23 0.00 0.00 177.57 177.12 1xai h VAL 226 N 0.06 1.29 0.00 7.19 2.07 -1.42 -0.35 116.25 125.09 1xai h VAL 226 Ca -0.20 -1.91 -0.02 0.00 0.82 0.00 0.00 66.70 65.39 1xai h VAL 226 Cb 1.99 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 33.63 1xai h VAL 226 CO 0.17 0.61 -0.10 0.00 0.02 0.00 0.00 177.57 178.27 1xai h ALA 227 N 0.68 0.99 -0.41 1.67 0.00 -1.38 -3.37 119.26 117.44 1xai h ALA 227 Ca -0.03 -0.09 -0.29 0.00 0.00 0.00 0.00 54.91 54.51 1xai h ALA 227 Cb 1.30 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.88 1xai h ALA 227 CO 0.14 0.12 -0.60 -3.47 0.00 0.00 0.00 179.25 175.44 1xai n ASP 228 N -3.20 -1.89 -0.23 0.00 2.03 -0.85 -5.02 116.55 107.39 1xai n ASP 228 Ca 0.01 -3.45 0.03 0.00 0.52 0.00 0.00 54.79 51.91 1xai n ASP 228 Cb 0.40 1.39 0.14 0.00 -0.72 0.00 0.00 41.12 42.34 1xai n ASP 228 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1xai h GLU 229 N 3.32 0.17 -0.86 -0.67 4.81 -1.23 -1.48 114.58 118.64 1xai h GLU 229 Ca -0.07 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1xai h GLU 229 Cb 1.05 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 1xai h GLU 229 CO 0.25 0.12 0.00 1.63 -0.73 0.00 0.00 179.01 180.28 1xai n LYS 230 N -5.23 2.29 -3.71 1.92 4.01 -1.26 -4.87 118.16 111.31 1xai n LYS 230 Ca 0.12 -1.05 -0.25 0.00 -0.51 0.00 0.00 58.31 56.62 1xai n LYS 230 Cb 0.41 -1.75 0.03 0.00 -0.51 0.00 0.00 35.03 33.21 1xai n LYS 230 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1xai n GLU 231 N 0.20 -3.10 -2.70 1.97 2.13 -0.56 -4.88 120.64 113.71 1xai n GLU 231 Ca 0.09 0.54 -0.41 0.00 0.66 0.00 0.00 57.16 58.04 1xai n GLU 231 Cb 0.57 -4.74 0.02 0.00 0.27 0.00 0.00 31.44 27.56 1xai n GLU 231 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1xai n GLN 232 N -4.18 5.27 0.00 5.31 1.13 -1.26 -4.80 117.38 118.85 1xai n GLN 232 Ca -0.21 -4.64 0.00 0.00 -1.94 0.00 0.00 57.00 50.21 1xai n GLN 232 Cb 0.65 -2.48 0.00 0.00 0.11 0.00 0.00 30.24 28.52 1xai n GLN 232 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xai n GLY 233 N 0.21 1.80 0.31 1.08 0.00 -1.26 -4.88 105.19 102.45 1xai n GLY 233 Ca 0.43 -0.80 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 1xai n GLY 233 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1xai h VAL 234 N 0.00 1.20 0.00 1.61 3.04 -1.93 -2.28 116.25 117.90 1xai h VAL 234 Ca 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1xai h VAL 234 Cb 0.00 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 29.30 1xai h VAL 234 CO 0.00 0.20 0.07 -1.14 -1.01 0.00 0.00 177.57 175.68 1xai n ARG 235 N -4.53 0.01 0.03 4.17 0.63 -1.26 0.62 116.66 116.33 1xai n ARG 235 Ca 0.08 0.45 0.07 0.00 -0.92 0.00 0.00 57.85 57.53 1xai n ARG 235 Cb 0.02 -1.60 0.30 0.00 0.45 0.00 0.00 32.46 31.63 1xai n ARG 235 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1xai n LYS 236 N -1.50 0.04 0.11 -0.14 5.02 -0.86 -2.16 118.16 118.67 1xai n LYS 236 Ca -0.00 0.35 0.13 0.00 -2.02 0.00 0.00 58.31 56.76 1xai n LYS 236 Cb 0.07 -1.58 0.42 0.00 -0.02 0.00 0.00 35.03 33.92 1xai n LYS 236 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xai n PHE 237 N -1.66 0.91 1.02 2.13 3.72 0.20 -2.67 117.46 121.11 1xai n PHE 237 Ca 0.02 0.28 0.14 0.00 -0.05 0.00 0.00 57.45 57.84 1xai n PHE 237 Cb 0.14 -0.95 0.56 0.00 -0.94 0.00 0.00 39.48 38.28 1xai n PHE 237 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1xai n LEU 238 N -2.25 0.10 -0.71 4.37 4.77 -0.92 -3.12 117.00 119.24 1xai n LEU 238 Ca 0.05 0.39 0.04 0.00 -0.03 0.00 0.00 56.01 56.46 1xai n LEU 238 Cb 0.40 -0.44 0.13 0.00 -2.33 0.00 0.00 43.42 41.18 1xai n LEU 238 CO 0.29 0.02 0.56 0.59 -1.33 0.00 0.00 177.39 177.52 1xai n ASN 239 N -1.48 1.97 -4.65 -1.43 3.02 -1.09 -4.92 115.26 106.68 1xai n ASN 239 Ca 0.07 -2.13 -0.46 0.00 -0.03 0.00 0.00 54.58 52.03 1xai n ASN 239 Cb 0.33 -0.33 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 1xai n ASN 239 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1xai n LEU 240 N 0.28 3.60 0.00 3.41 7.94 -1.18 -1.61 117.00 129.43 1xai n LEU 240 Ca 0.10 0.79 0.00 0.00 -1.11 0.00 0.00 56.01 55.79 1xai n LEU 240 Cb 0.38 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 42.88 1xai n LEU 240 CO 0.09 -0.10 0.00 0.61 -1.11 0.00 0.00 177.39 176.88 1xai n GLY 241 N 4.81 0.45 0.09 -3.96 0.00 -1.26 -4.82 105.19 100.50 1xai n GLY 241 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1xai n GLY 241 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xai n HIS 242 N -2.68 0.96 0.05 1.61 8.25 -0.63 -2.30 115.22 120.49 1xai n HIS 242 Ca 0.00 0.32 -0.12 0.00 -0.26 0.00 0.00 57.72 57.66 1xai n HIS 242 Cb 0.09 -1.08 -0.05 0.00 1.12 0.00 0.00 29.99 30.07 1xai n HIS 242 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1xai h THR 243 N 0.00 0.28 0.07 1.59 2.02 -1.90 1.64 112.91 116.61 1xai h THR 243 Ca -0.17 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.77 1xai h THR 243 Cb 1.58 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1xai h THR 243 CO 0.04 0.00 -1.11 0.15 0.37 0.00 0.00 175.52 174.97 1xai h PHE 244 N -0.47 0.30 -0.10 3.16 -0.00 -1.88 -3.27 116.94 114.67 1xai h PHE 244 Ca 0.06 -0.21 0.01 0.00 -0.00 0.00 0.00 57.97 57.84 1xai h PHE 244 Cb 0.57 -0.01 -0.01 0.00 -0.00 0.00 0.00 35.95 36.49 1xai h PHE 244 CO -0.36 1.15 0.01 0.78 -0.00 0.00 0.00 178.31 179.89 1xai h GLY 245 N 2.12 0.10 1.89 2.40 0.00 -0.91 -1.82 103.07 106.86 1xai h GLY 245 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1xai h GLY 245 CO 0.17 -0.01 -0.12 0.45 0.00 0.00 0.00 176.54 177.04 1xai h HIS 246 N 0.05 0.15 -0.23 5.60 3.86 0.23 -0.41 115.15 124.39 1xai h HIS 246 Ca 0.05 -0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.10 1xai h HIS 246 Cb 0.05 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 1xai h HIS 246 CO -0.12 0.27 -0.47 0.00 0.86 0.00 0.00 177.93 178.47 1xai h ALA 247 N 1.75 0.74 0.03 2.45 0.00 -1.52 -2.52 119.26 120.19 1xai h ALA 247 Ca 0.03 -0.47 -0.24 0.00 0.00 0.00 0.00 54.91 54.22 1xai h ALA 247 Cb 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1xai h ALA 247 CO 0.02 0.67 -1.19 0.28 0.00 0.00 0.00 179.25 179.02 1xai h VAL 248 N 0.49 1.51 0.12 0.00 2.07 -0.85 -2.90 116.25 116.69 1xai h VAL 248 Ca 0.03 -3.21 -0.01 0.00 0.82 0.00 0.00 66.70 64.33 1xai h VAL 248 Cb 1.00 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 1xai h VAL 248 CO 0.09 0.88 -0.06 -0.08 0.02 0.00 0.00 177.57 178.42 1xai h GLU 249 N 0.02 -0.16 -0.41 1.57 4.81 -1.11 0.37 114.58 119.67 1xai h GLU 249 Ca -0.09 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1xai h GLU 249 Cb 1.86 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 31.18 1xai h GLU 249 CO 0.14 -0.11 -0.26 -0.92 -0.73 0.00 0.00 179.01 177.13 1xai h TYR 250 N -0.26 -0.69 -0.24 0.92 3.20 -1.63 0.76 116.97 119.03 1xai h TYR 250 Ca -0.02 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1xai h TYR 250 Cb 0.13 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1xai h TYR 250 CO 0.10 -0.33 0.06 -0.92 -1.64 0.00 0.00 178.16 175.42 1xai h TYR 251 N -0.19 0.40 -0.02 -3.82 3.20 -1.61 -3.24 116.97 111.69 1xai h TYR 251 Ca 0.19 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1xai h TYR 251 Cb 0.49 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1xai h TYR 251 CO -0.49 0.47 -0.28 0.72 -1.64 0.00 0.00 178.16 176.94 1xai n HIS 252 N -4.73 0.00 -3.71 -3.82 8.25 0.13 -4.98 115.22 106.35 1xai n HIS 252 Ca -0.03 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.16 1xai n HIS 252 Cb 0.17 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.29 1xai n HIS 252 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1xai n LYS 253 N 0.42 -1.18 -4.31 -0.41 5.02 0.26 -4.98 118.16 112.97 1xai n LYS 253 Ca 0.11 0.67 -0.24 0.00 -2.02 0.00 0.00 58.31 56.84 1xai n LYS 253 Cb 0.50 -3.27 -0.12 0.00 -0.02 0.00 0.00 35.03 32.12 1xai n LYS 253 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1xai s ILE 254 N -3.20 1.80 0.53 -0.18 -4.36 -1.22 -5.06 121.20 109.51 1xai s ILE 254 Ca 0.20 -1.63 -0.18 0.00 -0.26 0.00 0.00 60.65 58.78 1xai s ILE 254 Cb -0.09 -1.66 -0.15 0.00 1.25 0.00 0.00 42.46 41.81 1xai s ILE 254 CO 0.88 -0.08 -0.14 -2.65 0.24 0.00 0.00 174.94 173.18 1xai n PRO 255 N 0.93 0.01 -0.14 0.37 -0.02 -1.26 -4.64 135.00 130.24 1xai n PRO 255 Ca -0.18 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.24 1xai n PRO 255 Cb 0.54 -1.01 0.03 0.00 -0.02 0.00 0.00 33.50 33.04 1xai n PRO 255 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xai h HIS 256 N -0.05 0.45 -0.21 6.00 2.76 -1.98 -2.14 115.15 119.98 1xai h HIS 256 Ca -0.41 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.76 1xai h HIS 256 Cb 1.44 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 30.25 1xai h HIS 256 CO 0.23 0.24 0.09 0.78 -1.30 0.00 0.00 177.93 177.97 1xai h GLY 257 N 0.49 0.34 0.44 5.26 0.00 -1.88 -1.84 103.07 105.87 1xai h GLY 257 Ca 0.19 -0.18 0.09 0.00 0.00 0.00 0.00 47.33 47.44 1xai h GLY 257 CO -0.11 0.17 0.31 0.45 0.00 0.00 0.00 176.54 177.35 1xai h HIS 258 N 0.20 0.54 -0.31 5.60 -0.00 -1.75 -0.73 115.15 118.70 1xai h HIS 258 Ca 0.07 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.42 1xai h HIS 258 Cb 0.16 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 1xai h HIS 258 CO -0.02 0.18 -0.01 0.00 -0.00 0.00 0.00 177.93 178.08 1xai h ALA 259 N 1.42 0.42 -0.44 2.45 0.00 -1.26 -2.87 119.26 118.98 1xai h ALA 259 Ca 0.33 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1xai h ALA 259 Cb 0.37 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1xai h ALA 259 CO -0.28 0.18 0.12 0.28 0.00 0.00 0.00 179.25 179.55 1xai h VAL 260 N 0.35 0.80 -0.57 0.00 2.07 -0.60 0.53 116.25 118.82 1xai h VAL 260 Ca 0.09 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1xai h VAL 260 Cb 0.46 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1xai h VAL 260 CO 0.02 0.05 0.22 0.24 0.02 0.00 0.00 177.57 178.11 1xai h MET 261 N 0.26 0.39 -0.18 1.57 2.86 -1.10 0.98 114.93 119.72 1xai h MET 261 Ca 0.21 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.74 1xai h MET 261 Cb 0.25 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1xai h MET 261 CO -0.26 0.26 -0.30 0.28 1.06 0.00 0.00 176.91 177.95 1xai h VAL 262 N 0.40 1.27 0.00 -2.22 2.07 -1.09 -1.79 116.25 114.90 1xai h VAL 262 Ca 0.28 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 1xai h VAL 262 Cb 0.32 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1xai h VAL 262 CO -0.28 0.40 -0.25 1.23 0.02 0.00 0.00 177.57 178.69 1xai h GLY 263 N 1.06 0.00 0.29 2.17 0.00 0.31 -2.19 103.07 104.71 1xai h GLY 263 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1xai h GLY 263 CO 0.05 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.33 1xai h ILE 264 N 0.00 1.15 -0.66 2.60 1.08 0.16 -1.48 117.51 120.36 1xai h ILE 264 Ca -0.00 -1.41 0.01 0.00 -0.39 0.00 0.00 64.86 63.07 1xai h ILE 264 Cb 0.85 1.98 -0.03 0.00 -3.07 0.00 0.00 36.82 36.55 1xai h ILE 264 CO 0.03 0.32 0.44 0.40 -0.69 0.00 0.00 178.15 178.65 1xai h ILE 265 N -0.82 1.15 -0.18 -0.67 2.04 -1.38 -0.79 117.51 116.86 1xai h ILE 265 Ca -0.01 -0.30 -0.11 0.00 1.00 0.00 0.00 64.86 65.44 1xai h ILE 265 Cb 0.60 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1xai h ILE 265 CO 0.02 0.16 -0.37 0.22 0.00 0.00 0.00 178.15 178.17 1xai h TYR 266 N 0.87 0.46 -0.29 1.37 3.20 -1.44 -1.48 116.97 119.66 1xai h TYR 266 Ca 0.25 -0.12 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 1xai h TYR 266 Cb -0.06 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 1xai h TYR 266 CO -0.00 0.72 -0.23 0.37 -1.64 0.00 0.00 178.16 177.38 1xai h GLN 267 N 0.33 0.55 -0.27 1.82 -0.00 -0.06 -2.57 115.11 114.92 1xai h GLN 267 Ca 0.03 -0.21 -0.10 0.00 -0.00 0.00 0.00 58.65 58.38 1xai h GLN 267 Cb 0.81 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 28.25 1xai h GLN 267 CO 0.07 0.74 -0.23 0.74 0.00 0.00 0.00 178.83 180.15 1xai h PHE 268 N 0.49 0.75 -0.80 3.99 0.05 -1.00 -1.68 116.94 118.75 1xai h PHE 268 Ca 0.07 -0.22 0.18 0.00 3.82 0.00 0.00 57.97 61.83 1xai h PHE 268 Cb 0.66 -0.16 -0.05 0.00 2.00 0.00 0.00 35.95 38.40 1xai h PHE 268 CO 0.02 0.93 0.54 0.82 -0.18 0.00 0.00 178.31 180.44 1xai h ILE 269 N 0.36 0.73 0.11 -0.55 2.04 -0.96 -1.71 117.51 117.52 1xai h ILE 269 Ca 0.05 -0.12 -0.15 0.00 1.00 0.00 0.00 64.86 65.64 1xai h ILE 269 Cb 0.78 0.36 0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1xai h ILE 269 CO 0.06 0.06 -0.65 0.58 0.00 0.00 0.00 178.15 178.21 1xai h VAL 270 N 0.34 1.57 0.00 1.67 2.07 -1.29 -2.48 116.25 118.13 1xai h VAL 270 Ca 0.40 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.42 1xai h VAL 270 Cb 1.05 3.24 0.00 0.00 -1.52 0.00 0.00 31.29 34.06 1xai h VAL 270 CO -0.12 0.69 0.11 0.00 0.02 0.00 0.00 177.57 178.27 1xai n ALA 271 N -2.66 0.85 -0.09 1.67 0.00 -0.65 -0.29 120.51 119.34 1xai n ALA 271 Ca -0.13 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 1xai n ALA 271 Cb 0.75 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 1xai n ALA 271 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xai n ASN 272 N -1.82 1.86 -0.36 0.00 3.02 -0.87 -1.69 115.26 115.40 1xai n ASN 272 Ca -0.01 0.51 0.27 0.00 -0.03 0.00 0.00 54.58 55.33 1xai n ASN 272 Cb 0.12 -0.86 0.53 0.00 -0.61 0.00 0.00 39.78 38.97 1xai n ASN 272 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xai h ALA 273 N -0.90 2.24 -3.00 5.41 0.00 -0.33 0.79 119.26 123.47 1xai h ALA 273 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xai h ALA 273 Cb 0.86 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1xai h ALA 273 CO -0.08 -0.82 0.00 1.28 0.00 0.00 0.00 179.25 179.64 1xai n LEU 274 N -4.87 0.25 0.22 0.00 4.77 0.60 -4.73 117.00 113.24 1xai n LEU 274 Ca 0.32 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.46 1xai n LEU 274 Cb 1.10 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 42.85 1xai n LEU 274 CO 0.16 0.00 0.95 -0.26 -1.33 0.00 0.00 177.39 176.91 1xai h PHE 275 N 0.00 0.00 -5.43 -1.77 0.04 -1.67 -3.47 116.94 104.64 1xai h PHE 275 Ca 0.00 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.51 1xai h PHE 275 Cb 0.00 0.00 0.19 0.00 2.20 0.00 0.00 35.95 38.34 1xai h PHE 275 CO 0.00 0.00 -0.82 -3.47 -0.60 0.00 0.00 178.31 173.42 1xai n ASP 276 N -2.71 -5.55 0.00 2.17 -0.08 0.27 -4.85 116.55 105.81 1xai n ASP 276 Ca 0.01 -0.67 0.12 0.00 -1.51 0.00 0.00 54.79 52.73 1xai n ASP 276 Cb 0.23 -5.08 0.66 0.00 2.34 0.00 0.00 41.12 39.27 1xai n ASP 276 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1xai n SER 277 N -3.16 0.00 -3.27 1.67 7.64 -0.88 -4.92 113.62 110.71 1xai n SER 277 Ca -0.12 -0.40 -0.14 0.00 1.01 0.00 0.00 58.87 59.22 1xai n SER 277 Cb 0.63 -0.15 0.01 0.00 -1.01 0.00 0.00 64.21 63.69 1xai n SER 277 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1xai n LYS 278 N -1.15 -1.70 -3.20 1.43 5.02 -1.26 -4.96 118.16 112.34 1xai n LYS 278 Ca 0.15 1.44 -0.39 0.00 -2.02 0.00 0.00 58.31 57.49 1xai n LYS 278 Cb 0.14 -4.30 -0.06 0.00 -0.02 0.00 0.00 35.03 30.78 1xai n LYS 278 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1xai s HIS 279 N -2.68 3.81 -1.09 2.13 3.76 -1.26 -4.98 115.29 114.98 1xai s HIS 279 Ca 0.11 1.34 -0.22 0.00 -0.15 0.00 0.00 55.06 56.14 1xai s HIS 279 Cb -0.02 -2.57 0.03 0.00 1.11 0.00 0.00 32.58 31.13 1xai s HIS 279 CO 0.81 0.55 1.63 0.34 -0.85 0.00 0.00 174.74 177.22 1xai s ASP 280 N -1.01 6.27 0.13 1.40 -1.08 -1.26 -4.75 116.67 116.38 1xai s ASP 280 Ca 0.31 -1.61 -0.13 0.00 -0.52 0.00 0.00 52.55 50.60 1xai s ASP 280 Cb -0.20 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.68 1xai s ASP 280 CO 0.20 -1.73 1.56 0.40 0.52 0.00 0.00 175.17 176.13 1xai h ILE 281 N 6.51 1.27 -0.06 4.11 1.08 -1.97 -2.61 117.51 125.84 1xai h ILE 281 Ca 0.25 -1.12 0.02 0.00 -0.39 0.00 0.00 64.86 63.61 1xai h ILE 281 Cb 0.97 1.12 -0.00 0.00 -3.07 0.00 0.00 36.82 35.84 1xai h ILE 281 CO 1.39 0.38 0.05 0.28 -0.69 0.00 0.00 178.15 179.56 1xai h SER 282 N 0.63 0.00 0.32 1.72 0.02 -1.99 -0.39 113.55 113.86 1xai h SER 282 Ca 0.12 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1xai h SER 282 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1xai h SER 282 CO 0.03 0.00 -0.15 -0.74 -1.14 0.00 0.00 176.83 174.83 1xai h HIS 283 N 0.00 -0.40 -0.39 3.45 -0.00 -1.86 -2.74 115.15 113.21 1xai h HIS 283 Ca 0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1xai h HIS 283 Cb 0.13 0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.66 1xai h HIS 283 CO 0.00 -0.06 0.20 1.88 -0.00 0.00 0.00 177.93 179.95 1xai h TYR 284 N -0.88 0.55 -0.19 5.26 0.05 -1.35 -0.57 116.97 119.84 1xai h TYR 284 Ca -0.04 -0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.77 1xai h TYR 284 Cb 0.52 -0.17 -0.07 0.00 1.01 0.00 0.00 36.73 38.02 1xai h TYR 284 CO 0.03 0.44 -0.28 0.82 -1.05 0.00 0.00 178.16 178.13 1xai h ILE 285 N 0.50 0.35 0.35 -2.88 1.08 -1.17 -1.98 117.51 113.74 1xai h ILE 285 Ca 0.14 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.59 1xai h ILE 285 Cb 0.09 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 34.19 1xai h ILE 285 CO -0.02 0.00 -0.17 -0.61 -0.69 0.00 0.00 178.15 176.66 1xai h GLN 286 N -0.32 -0.45 -1.18 2.37 4.15 -1.26 -2.52 115.11 115.90 1xai h GLN 286 Ca 0.12 0.03 0.34 0.00 0.77 0.00 0.00 58.65 59.91 1xai h GLN 286 Cb 0.50 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.23 1xai h GLN 286 CO -0.37 -0.29 0.84 -0.92 -1.93 0.00 0.00 178.83 176.16 1xai h TYR 287 N -0.48 0.12 -0.09 3.99 5.03 -0.75 0.43 116.97 125.22 1xai h TYR 287 Ca -0.05 0.00 -0.22 0.00 2.58 0.00 0.00 58.73 61.05 1xai h TYR 287 Cb 0.36 -0.03 0.01 0.00 1.55 0.00 0.00 36.73 38.62 1xai h TYR 287 CO -0.05 0.00 -0.79 -0.07 -1.32 0.00 0.00 178.16 175.93 1xai h LEU 288 N 0.06 0.85 -0.01 2.82 3.38 -0.95 -2.70 115.31 118.76 1xai h LEU 288 Ca 0.58 -0.67 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1xai h LEU 288 Cb 2.19 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.66 1xai h LEU 288 CO -0.06 1.39 -0.11 0.40 0.09 0.00 0.00 178.44 180.15 1xai h ILE 289 N 0.37 0.72 -0.02 1.22 2.04 0.13 -0.72 117.51 121.26 1xai h ILE 289 Ca -0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1xai h ILE 289 Cb 1.44 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 1xai h ILE 289 CO 0.16 0.00 -0.23 1.56 0.00 0.00 0.00 178.15 179.64 1xai h GLN 290 N -0.19 -0.34 -0.37 2.37 4.20 -1.36 0.32 115.11 119.75 1xai h GLN 290 Ca 0.04 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.89 1xai h GLN 290 Cb 0.24 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1xai h GLN 290 CO -0.12 -0.23 0.42 -0.07 -0.67 0.00 0.00 178.83 178.16 1xai h LEU 291 N -0.35 0.00 0.00 1.46 3.38 -1.23 -0.64 115.31 117.93 1xai h LEU 291 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xai h LEU 291 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1xai h LEU 291 CO -0.22 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.92 1xai n GLY 292 N -1.47 1.20 3.75 0.83 0.00 0.10 -3.93 105.19 105.67 1xai n GLY 292 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1xai n GLY 292 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xai s TYR 293 N -2.00 2.97 0.00 1.61 2.02 -0.36 -4.96 117.35 116.63 1xai s TYR 293 Ca 0.00 1.10 0.00 0.00 -0.37 0.00 0.00 57.07 57.80 1xai s TYR 293 Cb 0.00 -3.82 0.00 0.00 -0.40 0.00 0.00 41.96 37.74 1xai s TYR 293 CO 0.00 -2.58 0.47 -2.30 -1.57 0.00 0.00 175.55 169.57 1xai n PRO 294 N 1.84 0.00 -1.30 -1.71 -0.02 -1.26 -4.59 135.00 127.96 1xai n PRO 294 Ca 0.05 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1xai n PRO 294 Cb 0.40 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 1xai n PRO 294 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xai n LEU 295 N -0.69 -0.34 0.12 2.45 4.32 -1.26 -4.96 117.00 116.63 1xai n LEU 295 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.79 1xai n LEU 295 Cb 0.00 -0.48 -0.15 0.00 -1.62 0.00 0.00 43.42 41.17 1xai n LEU 295 CO 0.00 0.00 -0.16 -2.24 -1.22 0.00 0.00 177.39 173.77 1xai h ASP 296 N 0.00 0.61 0.82 -1.43 2.03 -2.00 -3.28 116.42 113.17 1xai h ASP 296 Ca 0.00 -0.67 0.00 0.00 -0.73 0.00 0.00 57.03 55.63 1xai h ASP 296 Cb 0.34 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.65 1xai h ASP 296 CO 0.00 1.53 0.00 1.15 -1.03 0.00 0.00 179.24 180.89 1xai n MET 297 N -3.61 0.09 -0.29 4.15 0.00 -1.26 -3.56 117.12 112.64 1xai n MET 297 Ca -0.13 0.24 0.11 0.00 0.00 0.00 0.00 57.70 57.92 1xai n MET 297 Cb 1.06 -1.65 0.27 0.00 0.00 0.00 0.00 33.22 32.91 1xai n MET 297 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1xai h ILE 298 N 0.00 0.49 0.00 3.17 2.04 -1.94 0.73 117.51 122.00 1xai h ILE 298 Ca 0.00 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 1xai h ILE 298 Cb 0.41 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1xai h ILE 298 CO 0.00 0.07 -0.20 0.74 0.00 0.00 0.00 178.15 178.76 1xai h THR 299 N 0.37 0.41 -0.36 -0.27 2.02 -1.82 -3.15 112.91 110.11 1xai h THR 299 Ca 0.52 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1xai h THR 299 Cb 0.96 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1xai h THR 299 CO -0.52 0.19 0.00 0.47 0.37 0.00 0.00 175.52 176.03 1xai n ASP 300 N -3.24 2.52 -3.60 4.18 8.00 0.20 -4.94 116.55 119.67 1xai n ASP 300 Ca 0.01 -1.90 -0.28 0.00 0.71 0.00 0.00 54.79 53.33 1xai n ASP 300 Cb 0.50 -0.24 0.26 0.00 -0.02 0.00 0.00 41.12 41.62 1xai n ASP 300 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xai n LEU 301 N 0.87 -0.93 -3.15 0.64 4.77 -0.91 -5.04 117.00 113.26 1xai n LEU 301 Ca 0.17 -0.61 0.04 0.00 -0.03 0.00 0.00 56.01 55.58 1xai n LEU 301 Cb 0.43 -1.00 -0.00 0.00 -2.33 0.00 0.00 43.42 40.52 1xai n LEU 301 CO 0.13 -4.05 0.23 -0.62 -1.33 0.00 0.00 177.39 171.75 1xai s ASP 302 N -2.66 -1.28 0.17 -1.43 3.68 -1.26 -5.05 116.67 108.85 1xai s ASP 302 Ca 0.61 0.21 -0.15 0.00 2.13 0.00 0.00 52.55 55.34 1xai s ASP 302 Cb -0.13 1.83 0.13 0.00 -1.45 0.00 0.00 42.92 43.30 1xai s ASP 302 CO 0.54 -0.23 1.69 0.15 0.13 0.00 0.00 175.17 177.44 1xai h PHE 303 N 7.81 -0.07 -0.22 -5.34 -0.00 -1.92 -2.69 116.94 114.50 1xai h PHE 303 Ca -0.05 0.03 0.02 0.00 -0.00 0.00 0.00 57.97 57.98 1xai h PHE 303 Cb 1.18 0.10 -0.04 0.00 -0.00 0.00 0.00 35.95 37.19 1xai h PHE 303 CO 0.14 -0.11 -0.25 1.49 -0.00 0.00 0.00 178.31 179.58 1xai h GLU 304 N 0.08 -0.14 -0.11 1.11 4.57 -1.96 0.34 114.58 118.47 1xai h GLU 304 Ca 0.21 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1xai h GLU 304 Cb 0.32 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1xai h GLU 304 CO -0.38 -0.09 0.07 1.15 -1.18 0.00 0.00 179.01 178.58 1xai h THR 305 N -0.15 1.06 -0.49 0.32 2.02 -2.00 -2.83 112.91 110.84 1xai h THR 305 Ca 0.04 -0.14 0.09 0.00 0.77 0.00 0.00 66.41 67.17 1xai h THR 305 Cb 0.25 0.95 -0.08 0.00 -1.74 0.00 0.00 68.15 67.52 1xai h THR 305 CO -0.29 0.05 -0.01 -0.07 0.37 0.00 0.00 175.52 175.58 1xai h LEU 306 N 0.13 -0.22 0.01 2.58 3.38 -1.17 -2.29 115.31 117.72 1xai h LEU 306 Ca 0.04 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1xai h LEU 306 Cb 0.02 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1xai h LEU 306 CO -0.01 -0.08 -0.53 0.22 0.09 0.00 0.00 178.44 178.13 1xai h TYR 307 N 0.11 -1.56 -0.91 1.13 -0.00 -0.12 0.31 116.97 115.93 1xai h TYR 307 Ca 0.25 0.05 0.21 0.00 -0.00 0.00 0.00 58.73 59.23 1xai h TYR 307 Cb 0.37 0.68 -0.07 0.00 -0.00 0.00 0.00 36.73 37.71 1xai h TYR 307 CO -0.31 -0.58 0.60 1.96 -0.00 0.00 0.00 178.16 179.83 1xai h GLN 308 N -0.68 0.38 -0.36 1.82 1.08 -1.24 0.83 115.11 116.95 1xai h GLN 308 Ca 0.01 -0.02 -0.16 0.00 -1.45 0.00 0.00 58.65 57.03 1xai h GLN 308 Cb 0.73 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1xai h GLN 308 CO -0.35 0.25 -0.41 -0.92 -0.95 0.00 0.00 178.83 176.45 1xai h TYR 309 N 0.39 1.11 0.00 2.96 5.03 -0.66 -2.86 116.97 122.94 1xai h TYR 309 Ca 0.47 -0.35 0.00 0.00 2.58 0.00 0.00 58.73 61.44 1xai h TYR 309 Cb 1.21 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 39.26 1xai h TYR 309 CO -0.00 1.18 0.00 -1.33 -1.32 0.00 0.00 178.16 176.68 1xai n MET 310 N -4.06 0.03 0.02 1.82 2.81 0.29 -0.27 117.12 117.76 1xai n MET 310 Ca -0.03 0.18 0.11 0.00 -1.81 0.00 0.00 57.70 56.16 1xai n MET 310 Cb 0.56 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.64 1xai n MET 310 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1xai n LEU 311 N -1.19 0.63 0.15 4.03 4.32 -0.99 -3.69 117.00 120.26 1xai n LEU 311 Ca 0.01 -0.03 0.12 0.00 -0.02 0.00 0.00 56.01 56.09 1xai n LEU 311 Cb 0.01 -0.13 0.12 0.00 -1.62 0.00 0.00 43.42 41.80 1xai n LEU 311 CO 0.01 0.06 0.43 0.28 -1.22 0.00 0.00 177.39 176.96 1xai h SER 312 N 0.00 0.00 -1.08 -1.43 0.02 -0.78 -3.48 113.55 106.81 1xai h SER 312 Ca 0.00 -0.02 -0.75 0.00 -0.84 0.00 0.00 61.79 60.17 1xai h SER 312 Cb 0.67 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.28 1xai h SER 312 CO 0.00 0.01 -0.05 -0.67 -1.14 0.00 0.00 176.83 174.98 1xai n ASP 313 N -2.75 -0.16 0.00 3.07 4.64 -1.24 -4.83 116.55 115.28 1xai n ASP 313 Ca 0.02 1.15 0.05 0.00 -1.38 0.00 0.00 54.79 54.64 1xai n ASP 313 Cb 0.52 -0.95 0.31 0.00 -1.04 0.00 0.00 41.12 39.95 1xai n ASP 313 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1xai n LYS 314 N 1.44 0.70 0.00 -0.67 5.02 -1.26 -2.87 118.16 120.52 1xai n LYS 314 Ca 0.19 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.54 1xai n LYS 314 Cb 0.13 -1.23 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 1xai n LYS 314 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xai n LYS 315 N -0.73 2.15 -1.78 1.97 5.02 -1.26 -5.02 118.16 118.50 1xai n LYS 315 Ca 0.08 -0.53 -0.29 0.00 -2.02 0.00 0.00 58.31 55.55 1xai n LYS 315 Cb 0.04 -1.15 0.14 0.00 -0.02 0.00 0.00 35.03 34.03 1xai n LYS 315 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1xai s ASN 316 N -1.75 3.66 0.08 4.39 0.01 -1.14 -4.76 114.94 115.43 1xai s ASN 316 Ca 0.09 0.66 0.02 0.00 -0.71 0.00 0.00 52.86 52.91 1xai s ASN 316 Cb 0.10 -1.01 -0.01 0.00 0.41 0.00 0.00 41.25 40.74 1xai s ASN 316 CO 0.37 -2.43 0.06 -0.90 -1.51 0.00 0.00 177.10 172.70 1xai n ASP 317 N -3.63 -0.12 0.29 -1.22 5.68 -1.24 -5.02 116.55 111.28 1xai n ASP 317 Ca 0.10 -1.51 0.19 0.00 -0.50 0.00 0.00 54.79 53.08 1xai n ASP 317 Cb 0.60 0.38 0.98 0.00 -1.14 0.00 0.00 41.12 41.94 1xai n ASP 317 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1xai h LYS 318 N 0.00 0.00 0.00 0.11 3.64 -2.01 -2.66 116.57 115.64 1xai h LYS 318 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1xai h LYS 318 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1xai h LYS 318 CO 0.08 0.00 0.00 1.96 -2.27 0.00 0.00 179.45 179.22 1xai h GLN 319 N 0.00 0.00 0.00 1.90 4.20 -2.03 -3.49 115.11 115.69 1xai h GLN 319 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xai h GLN 319 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1xai h GLN 319 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 1xai n GLY 320 N 0.49 0.78 3.72 3.46 0.00 -1.01 -5.03 105.19 107.61 1xai n GLY 320 Ca 0.03 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 1xai n GLY 320 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xai s VAL 321 N -1.61 2.33 -0.07 1.61 1.01 -1.26 -3.62 120.40 118.78 1xai s VAL 321 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1xai s VAL 321 Cb 0.00 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.68 1xai s VAL 321 CO 0.00 -0.09 0.16 -1.10 0.00 0.00 0.00 175.10 174.08 1xai s GLN 322 N -3.92 0.14 0.18 2.72 -0.21 -1.26 -2.69 119.66 114.62 1xai s GLN 322 Ca 0.74 0.33 0.06 0.00 0.02 0.00 0.00 55.36 56.51 1xai s GLN 322 Cb -0.29 -0.06 -0.05 0.00 1.00 0.00 0.00 33.01 33.62 1xai s GLN 322 CO 0.45 -0.10 -0.13 -1.64 -2.12 0.00 0.00 175.29 171.75 1xai s MET 323 N 0.72 1.22 -0.44 2.91 -1.94 -0.96 -4.76 119.30 116.05 1xai s MET 323 Ca -0.05 -1.53 -0.13 0.00 -1.71 0.00 0.00 55.69 52.27 1xai s MET 323 Cb -0.07 -0.92 0.07 0.00 2.01 0.00 0.00 34.83 35.92 1xai s MET 323 CO -0.04 0.14 0.32 0.08 -0.01 0.00 0.00 175.02 175.51 1xai s VAL 324 N -3.11 4.77 0.08 -6.03 1.01 -1.26 -2.23 120.40 113.63 1xai s VAL 324 Ca 0.20 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1xai s VAL 324 Cb 0.01 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1xai s VAL 324 CO 0.04 -0.50 0.08 -0.76 0.00 0.00 0.00 175.10 173.96 1xai s LEU 325 N 1.55 3.82 -0.19 3.92 1.43 0.49 -4.36 118.68 125.35 1xai s LEU 325 Ca 0.03 -0.00 -0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1xai s LEU 325 Cb -0.23 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 1xai s LEU 325 CO 0.05 0.17 -0.01 -0.32 0.23 0.00 0.00 176.35 176.47 1xai s MET 326 N -2.39 3.62 -0.11 1.70 -2.45 -1.26 -0.38 119.30 118.03 1xai s MET 326 Ca 0.29 -0.53 0.19 0.00 -1.25 0.00 0.00 55.69 54.40 1xai s MET 326 Cb -0.12 -3.02 -0.28 0.00 1.25 0.00 0.00 34.83 32.65 1xai s MET 326 CO 0.22 0.07 0.27 -2.13 1.05 0.00 0.00 175.02 174.50 1xai n ARG 327 N 4.05 0.74 -3.64 4.11 0.63 -0.57 -4.69 116.66 117.29 1xai n ARG 327 Ca -0.17 -0.10 -0.05 0.00 -0.92 0.00 0.00 57.85 56.61 1xai n ARG 327 Cb 0.52 -1.49 -0.07 0.00 0.45 0.00 0.00 32.46 31.87 1xai n ARG 327 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1xai s GLN 328 N -2.97 0.18 -0.58 -0.14 0.74 -1.22 -4.64 119.66 111.03 1xai s GLN 328 Ca -0.09 0.20 -0.35 0.00 0.05 0.00 0.00 55.36 55.17 1xai s GLN 328 Cb 0.10 0.09 -0.16 0.00 1.10 0.00 0.00 33.01 34.14 1xai s GLN 328 CO 0.83 -0.02 2.34 1.19 -0.55 0.00 0.00 175.29 179.08 1xai n PHE 329 N 1.67 1.19 0.00 1.67 3.72 -1.26 0.26 117.46 124.70 1xai n PHE 329 Ca -0.10 0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 1xai n PHE 329 Cb 0.57 -2.45 0.00 0.00 -0.94 0.00 0.00 39.48 36.66 1xai n PHE 329 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xai n GLY 330 N 6.70 1.07 2.20 1.37 0.00 -1.26 -4.66 105.19 110.62 1xai n GLY 330 Ca 0.51 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.29 1xai n GLY 330 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xai n ASP 331 N 0.00 0.41 -4.82 1.61 4.64 0.71 -5.10 116.55 114.00 1xai n ASP 331 Ca 0.00 -2.75 -0.38 0.00 -1.38 0.00 0.00 54.79 50.28 1xai n ASP 331 Cb 0.00 -0.64 -0.06 0.00 -1.04 0.00 0.00 41.12 39.38 1xai n ASP 331 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1xai s ILE 332 N -1.34 5.05 0.03 5.18 1.09 -1.26 -1.51 121.20 128.44 1xai s ILE 332 Ca 0.36 0.84 0.03 0.00 -1.10 0.00 0.00 60.65 60.77 1xai s ILE 332 Cb 0.18 -3.72 -0.02 0.00 -1.06 0.00 0.00 42.46 37.85 1xai s ILE 332 CO -0.10 0.55 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.51 1xai s VAL 333 N -0.89 0.65 -0.10 2.92 1.01 0.49 -4.98 120.40 119.50 1xai s VAL 333 Ca 0.24 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1xai s VAL 333 Cb -0.16 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 1xai s VAL 333 CO 0.13 -0.18 -0.11 -0.69 0.00 0.00 0.00 175.10 174.25 1xai s VAL 334 N -0.98 3.31 -0.03 2.92 1.01 -1.26 -0.38 120.40 125.00 1xai s VAL 334 Ca -0.05 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 1xai s VAL 334 Cb -0.08 -2.37 0.11 0.00 0.00 0.00 0.00 36.38 34.05 1xai s VAL 334 CO 0.01 0.55 1.19 0.00 0.00 0.00 0.00 175.10 176.85 1xai s GLN 335 N -0.15 0.53 0.65 2.72 -2.07 -0.95 -4.98 119.66 115.42 1xai s GLN 335 Ca 0.00 -0.27 -0.17 0.00 -1.82 0.00 0.00 55.36 53.10 1xai s GLN 335 Cb -0.13 0.20 -0.04 0.00 -1.09 0.00 0.00 33.01 31.94 1xai s GLN 335 CO 0.03 -0.24 0.73 1.58 -1.32 0.00 0.00 175.29 176.07 1xai n HIS 336 N -0.38 -0.04 -2.91 9.60 -0.00 -1.26 -2.27 115.22 117.96 1xai n HIS 336 Ca -0.06 0.40 -0.13 0.00 -0.00 0.00 0.00 57.72 57.93 1xai n HIS 336 Cb 0.61 -2.02 0.03 0.00 -0.00 0.00 0.00 29.99 28.61 1xai n HIS 336 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1xai n VAL 337 N -2.07 -0.16 -1.04 3.57 0.31 -1.10 -4.81 118.33 113.02 1xai n VAL 337 Ca 0.12 -2.56 -0.36 0.00 -0.01 0.00 0.00 64.34 61.53 1xai n VAL 337 Cb 0.49 0.52 0.04 0.00 -0.91 0.00 0.00 33.84 33.97 1xai n VAL 337 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1xai n ASP 338 N 0.93 -5.47 0.30 4.52 5.68 -1.26 -4.53 116.55 116.71 1xai n ASP 338 Ca 0.13 0.27 0.03 0.00 -0.50 0.00 0.00 54.79 54.73 1xai n ASP 338 Cb 0.64 -0.79 0.19 0.00 -1.14 0.00 0.00 41.12 40.01 1xai n ASP 338 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1xai h GLN 339 N -0.83 0.00 0.00 0.11 3.07 -1.98 -2.94 115.11 112.53 1xai h GLN 339 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 1xai h GLN 339 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.89 1xai h GLN 339 CO 0.27 0.00 0.00 -0.11 0.09 0.00 0.00 178.83 179.08 1xai n LEU 340 N -2.45 0.00 -0.19 0.06 -0.00 -1.26 0.52 117.00 113.67 1xai n LEU 340 Ca -0.00 0.64 -0.04 0.00 -0.00 0.00 0.00 56.01 56.61 1xai n LEU 340 Cb 0.80 -0.14 0.03 0.00 -0.00 0.00 0.00 43.42 44.11 1xai n LEU 340 CO 0.03 -0.14 0.68 0.74 -0.00 0.00 0.00 177.39 178.70 1xai h THR 341 N 0.00 0.26 0.00 1.96 2.02 -1.81 0.86 112.91 116.21 1xai h THR 341 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1xai h THR 341 Cb 0.00 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1xai h THR 341 CO 0.00 0.00 0.02 0.18 0.37 0.00 0.00 175.52 176.09 1xai n LEU 342 N -5.43 0.30 -0.06 2.58 4.77 -1.12 0.76 117.00 118.79 1xai n LEU 342 Ca 0.05 0.63 -0.14 0.00 -0.03 0.00 0.00 56.01 56.52 1xai n LEU 342 Cb 0.34 -0.66 -0.14 0.00 -2.33 0.00 0.00 43.42 40.63 1xai n LEU 342 CO 0.03 -0.73 -0.95 1.67 -1.33 0.00 0.00 177.39 176.09 1xai n GLN 343 N -1.90 0.68 0.00 3.23 -0.06 0.29 -3.89 117.38 115.74 1xai n GLN 343 Ca -0.01 0.18 0.10 0.00 -2.00 0.00 0.00 57.00 55.27 1xai n GLN 343 Cb 0.04 -1.64 0.02 0.00 -4.06 0.00 0.00 30.24 24.60 1xai n GLN 343 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1xai n HIS 344 N -3.13 0.00 -0.06 3.69 8.25 -0.49 -4.08 115.22 119.39 1xai n HIS 344 Ca -0.31 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.11 1xai n HIS 344 Cb 1.06 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 32.02 1xai n HIS 344 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xai n ALA 345 N 0.24 1.89 1.20 -1.41 0.00 0.23 -2.48 120.51 120.19 1xai n ALA 345 Ca 0.09 -1.03 0.14 0.00 0.00 0.00 0.00 53.44 52.64 1xai n ALA 345 Cb 0.46 -0.42 0.55 0.00 0.00 0.00 0.00 19.45 20.03 1xai n ALA 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xai n GLU 347 N -1.25 0.72 0.23 0.00 1.02 -1.26 -3.76 120.64 116.34 1xai n GLU 347 Ca 0.10 0.09 0.11 0.00 -0.02 0.00 0.00 57.16 57.44 1xai n GLU 347 Cb 0.30 -1.45 0.48 0.00 -0.02 0.00 0.00 31.44 30.75 1xai n GLU 347 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1xai h GLN 348 N 0.00 0.00 0.00 3.49 4.15 -1.51 -0.70 115.11 120.54 1xai h GLN 348 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1xai h GLN 348 Cb 1.85 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.54 1xai h GLN 348 CO -0.05 0.20 -0.27 1.25 -1.93 0.00 0.00 178.83 178.03 1xai h LEU 349 N 0.00 0.00 0.00 -2.39 5.85 -1.60 -2.90 115.31 114.28 1xai h LEU 349 Ca -0.00 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1xai h LEU 349 Cb 0.73 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1xai h LEU 349 CO 0.03 0.04 -0.60 0.50 -0.34 0.00 0.00 178.44 178.06 1xai h LYS 350 N 0.00 0.00 0.00 1.25 1.63 -1.25 -3.20 116.57 115.00 1xai h LYS 350 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xai h LYS 350 Cb 0.79 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1xai h LYS 350 CO 0.00 0.03 0.17 1.15 -3.45 0.00 0.00 179.45 177.35 1xai h THR 351 N 0.00 0.00 -0.01 1.00 2.02 -1.11 -3.48 112.91 111.32 1xai h THR 351 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1xai h THR 351 Cb 1.04 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1xai h THR 351 CO 0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67