#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrl s ILE 6 N -2.30 5.16 -0.05 0.00 -1.16 -0.08 -4.90 121.20 117.87 1xrl s ILE 6 Ca 0.33 0.41 -0.02 0.00 -0.51 0.00 0.00 60.65 60.86 1xrl s ILE 6 Cb -0.06 -3.75 -0.04 0.00 0.61 0.00 0.00 42.46 39.22 1xrl s ILE 6 CO 0.21 0.06 0.06 -1.61 -2.81 0.00 0.00 174.94 170.86 1xrl s GLU 7 N 2.09 3.10 0.27 3.50 2.02 -1.26 -1.03 118.70 127.38 1xrl s GLU 7 Ca 0.14 -0.40 -0.07 0.00 0.02 0.00 0.00 54.97 54.66 1xrl s GLU 7 Cb -0.16 -2.89 -0.01 0.00 0.10 0.00 0.00 34.13 31.17 1xrl s GLU 7 CO 0.11 0.69 0.41 1.21 0.02 0.00 0.00 175.26 177.70 1xrl s ASN 8 N -1.34 0.31 -0.39 -0.19 3.04 -0.68 -5.03 114.94 110.66 1xrl s ASN 8 Ca 0.18 -1.21 0.09 0.00 0.04 0.00 0.00 52.86 51.96 1xrl s ASN 8 Cb -0.12 0.58 0.27 0.00 -1.54 0.00 0.00 41.25 40.43 1xrl s ASN 8 CO 0.08 -1.14 0.58 0.00 -3.04 0.00 0.00 177.10 173.58 1xrl n TYR 9 N -0.43 -0.46 -2.60 0.43 4.19 -1.26 -2.24 117.16 114.80 1xrl n TYR 9 Ca -0.00 -3.49 -0.27 0.00 3.31 0.00 0.00 57.90 57.44 1xrl n TYR 9 Cb 0.63 -0.24 0.00 0.00 0.49 0.00 0.00 39.34 40.21 1xrl n TYR 9 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1xrl s ALA 10 N -1.27 3.39 -0.35 2.98 0.00 -1.01 -4.75 121.76 120.75 1xrl s ALA 10 Ca 0.36 -0.50 -0.18 0.00 0.00 0.00 0.00 51.96 51.63 1xrl s ALA 10 Cb 0.20 -2.60 -0.00 0.00 0.00 0.00 0.00 23.12 20.72 1xrl s ALA 10 CO -0.11 -0.38 0.52 0.21 0.00 0.00 0.00 175.76 176.00 1xrl s LYS 11 N -4.77 3.63 0.00 0.00 2.20 -1.26 -0.15 119.74 119.39 1xrl s LYS 11 Ca 0.48 -0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 1xrl s LYS 11 Cb -0.10 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 1xrl s LYS 11 CO 0.45 -0.64 0.00 1.33 -0.36 0.00 0.00 175.35 176.13 1xrl n VAL 12 N 5.43 0.00 -1.19 4.02 0.24 0.05 -4.77 118.33 122.10 1xrl n VAL 12 Ca -0.04 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.91 1xrl n VAL 12 Cb 0.49 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.83 1xrl n VAL 12 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1xrl n ASN 13 N 0.00 6.46 0.00 -1.34 2.04 -1.26 -4.30 115.26 116.87 1xrl n ASN 13 Ca 0.00 -2.55 0.00 0.00 -0.44 0.00 0.00 54.58 51.59 1xrl n ASN 13 Cb 0.00 -1.41 0.00 0.00 -2.53 0.00 0.00 39.78 35.84 1xrl n ASN 13 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1xrl n GLY 14 N 3.78 1.86 3.39 4.83 0.00 -1.26 -5.08 105.19 112.71 1xrl n GLY 14 Ca 0.63 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1xrl n GLY 14 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xrl s ILE 15 N -0.69 2.12 -0.28 -0.61 -4.36 -1.26 -5.09 121.20 111.03 1xrl s ILE 15 Ca 0.00 -2.04 -0.29 0.00 -0.26 0.00 0.00 60.65 58.07 1xrl s ILE 15 Cb 0.00 -2.02 0.01 0.00 1.25 0.00 0.00 42.46 41.70 1xrl s ILE 15 CO 0.00 -0.25 1.05 -0.31 0.24 0.00 0.00 174.94 175.66 1xrl s TYR 16 N -1.98 3.24 -0.09 1.37 1.51 -1.26 -0.77 117.35 119.37 1xrl s TYR 16 Ca 0.20 1.30 0.02 0.00 -1.01 0.00 0.00 57.07 57.58 1xrl s TYR 16 Cb -0.06 -3.49 -0.02 0.00 -0.11 0.00 0.00 41.96 38.28 1xrl s TYR 16 CO 0.09 -0.63 -0.14 0.42 -1.11 0.00 0.00 175.55 174.18 1xrl s ILE 17 N 3.42 3.01 -0.03 2.71 -1.09 0.78 -1.61 121.20 128.40 1xrl s ILE 17 Ca 0.44 -0.71 -0.22 0.00 -2.23 0.00 0.00 60.65 57.93 1xrl s ILE 17 Cb -0.13 -2.21 -0.05 0.00 -1.58 0.00 0.00 42.46 38.49 1xrl s ILE 17 CO 0.11 0.56 0.64 -0.47 -1.23 0.00 0.00 174.94 174.56 1xrl s TYR 18 N -0.22 3.63 0.05 3.97 5.04 -1.26 -2.42 117.35 126.14 1xrl s TYR 18 Ca 0.01 1.22 -0.00 0.00 -2.44 0.00 0.00 57.07 55.85 1xrl s TYR 18 Cb -0.13 -2.70 -0.03 0.00 0.35 0.00 0.00 41.96 39.44 1xrl s TYR 18 CO 0.03 0.23 -0.04 1.52 -1.34 0.00 0.00 175.55 175.95 1xrl s TYR 19 N 0.27 0.49 -0.10 4.97 1.13 -0.95 -1.42 117.35 121.74 1xrl s TYR 19 Ca 0.34 -0.88 -0.01 0.00 -1.41 0.00 0.00 57.07 55.10 1xrl s TYR 19 Cb -0.18 -0.35 0.03 0.00 -1.10 0.00 0.00 41.96 40.36 1xrl s TYR 19 CO 0.18 -0.29 -0.02 0.21 -2.51 0.00 0.00 175.55 173.11 1xrl s LYS 20 N -3.14 0.91 -0.27 -3.49 2.20 0.82 -1.69 119.74 115.08 1xrl s LYS 20 Ca 0.00 -0.09 -0.05 0.00 -0.36 0.00 0.00 55.97 55.48 1xrl s LYS 20 Cb 0.02 -1.34 0.01 0.00 -1.51 0.00 0.00 37.83 35.02 1xrl s LYS 20 CO -0.07 -0.34 0.01 -1.17 -0.36 0.00 0.00 175.35 173.42 1xrl s LEU 21 N 1.87 3.46 -0.39 5.43 2.96 -0.20 0.12 118.68 131.93 1xrl s LEU 21 Ca 0.04 -0.69 -0.06 0.00 -0.22 0.00 0.00 54.13 53.20 1xrl s LEU 21 Cb -0.13 -1.79 0.08 0.00 0.50 0.00 0.00 46.19 44.85 1xrl s LEU 21 CO -0.06 -0.14 0.18 0.00 -1.32 0.00 0.00 176.35 175.01 1xrl s LYS 23 N 1.32 1.89 0.36 0.00 -2.85 -1.26 -0.34 119.74 118.85 1xrl s LYS 23 Ca 0.03 -2.07 0.00 0.00 -1.00 0.00 0.00 55.97 52.92 1xrl s LYS 23 Cb -0.22 -1.40 0.00 0.00 -2.06 0.00 0.00 37.83 34.15 1xrl s LYS 23 CO -0.00 -0.12 0.00 0.00 0.10 0.00 0.00 175.35 175.33 1xrl n ALA 24 N -0.91 -3.49 -1.89 0.59 0.00 -1.26 -4.99 120.51 108.56 1xrl n ALA 24 Ca -0.05 0.51 -0.30 0.00 0.00 0.00 0.00 53.44 53.60 1xrl n ALA 24 Cb 0.67 -1.25 0.05 0.00 0.00 0.00 0.00 19.45 18.92 1xrl n ALA 24 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1xrl s PRO 25 N -2.81 2.86 -1.04 0.00 0.02 -1.26 -4.77 135.00 128.01 1xrl s PRO 25 Ca 0.00 0.44 -0.16 0.00 0.02 0.00 0.00 61.00 61.29 1xrl s PRO 25 Cb 0.00 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.49 1xrl s PRO 25 CO 0.00 -1.02 0.74 0.39 -0.33 0.00 0.00 177.00 176.78 1xrl n GLU 26 N -2.99 -1.16 -1.98 5.54 -0.58 -1.26 -4.25 120.64 113.97 1xrl n GLU 26 Ca 0.07 0.59 -0.42 0.00 -0.42 0.00 0.00 57.16 56.98 1xrl n GLU 26 Cb 0.57 -3.78 -0.03 0.00 -0.57 0.00 0.00 31.44 27.63 1xrl n GLU 26 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1xrl s GLU 27 N -5.61 4.21 -0.04 3.49 2.12 -1.26 -4.28 118.70 117.32 1xrl s GLU 27 Ca 0.34 2.27 0.12 0.00 0.36 0.00 0.00 54.97 58.06 1xrl s GLU 27 Cb -0.13 -3.61 -0.19 0.00 0.26 0.00 0.00 34.13 30.46 1xrl s GLU 27 CO 0.87 -0.71 0.22 1.63 -0.54 0.00 0.00 175.26 176.73 1xrl n LYS 28 N 5.61 0.82 -3.55 4.30 4.76 0.20 -5.03 118.16 125.27 1xrl n LYS 28 Ca 0.15 -0.09 -0.07 0.00 -2.87 0.00 0.00 58.31 55.44 1xrl n LYS 28 Cb 0.41 -1.31 -0.02 0.00 -1.84 0.00 0.00 35.03 32.27 1xrl n LYS 28 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xrl s ALA 29 N -2.74 -1.86 -0.09 7.82 0.00 -1.14 -5.01 121.76 118.74 1xrl s ALA 29 Ca -0.05 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.90 1xrl s ALA 29 Cb 0.07 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1xrl s ALA 29 CO 0.53 -0.73 -0.11 0.15 0.00 0.00 0.00 175.76 175.60 1xrl s LYS 30 N -3.01 2.96 -0.18 0.00 1.02 -1.26 -1.08 119.74 118.20 1xrl s LYS 30 Ca 0.07 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.43 1xrl s LYS 30 Cb -0.01 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.77 1xrl s LYS 30 CO -0.07 0.47 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.53 1xrl s LEU 31 N -0.30 2.15 0.08 3.17 2.96 0.11 -0.94 118.68 125.91 1xrl s LEU 31 Ca 0.03 -0.76 -0.18 0.00 -0.22 0.00 0.00 54.13 53.00 1xrl s LEU 31 Cb -0.13 -1.28 -0.07 0.00 0.50 0.00 0.00 46.19 45.22 1xrl s LEU 31 CO 0.03 -0.10 0.55 -0.04 -1.32 0.00 0.00 176.35 175.47 1xrl s MET 32 N 1.39 4.15 0.04 1.98 -1.94 0.59 -0.77 119.30 124.74 1xrl s MET 32 Ca 0.01 0.68 0.08 0.00 -1.71 0.00 0.00 55.69 54.76 1xrl s MET 32 Cb -0.15 -3.20 -0.03 0.00 2.01 0.00 0.00 34.83 33.47 1xrl s MET 32 CO -0.10 0.62 -0.23 0.95 -0.01 0.00 0.00 175.02 176.26 1xrl s THR 33 N -1.15 1.87 -0.22 2.05 -4.23 -0.89 -0.92 115.64 112.15 1xrl s THR 33 Ca 0.30 -1.28 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 1xrl s THR 33 Cb -0.19 -1.61 0.05 0.00 1.34 0.00 0.00 72.50 72.09 1xrl s THR 33 CO 0.18 0.28 -0.09 -0.04 -0.54 0.00 0.00 174.62 174.41 1xrl s MET 34 N -1.19 1.97 0.96 3.99 -1.94 -0.14 -4.49 119.30 118.45 1xrl s MET 34 Ca 0.09 -0.98 -0.12 0.00 -1.71 0.00 0.00 55.69 52.98 1xrl s MET 34 Cb -0.09 -2.56 0.16 0.00 2.01 0.00 0.00 34.83 34.35 1xrl s MET 34 CO 0.02 -0.50 1.09 -3.38 -0.01 0.00 0.00 175.02 172.24 1xrl s HIS 35 N 1.34 2.10 0.00 -0.03 -3.43 -1.26 -2.05 115.29 111.96 1xrl s HIS 35 Ca -0.04 1.21 0.00 0.00 -0.80 0.00 0.00 55.06 55.43 1xrl s HIS 35 Cb -0.18 -3.19 0.00 0.00 -1.43 0.00 0.00 32.58 27.78 1xrl s HIS 35 CO -0.07 -2.73 0.00 0.41 -2.00 0.00 0.00 174.74 170.35 1xrl n GLY 36 N -0.81 1.86 0.00 -1.38 0.00 -1.17 -3.01 105.19 100.68 1xrl n GLY 36 Ca 0.06 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1xrl n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xrl n GLY 37 N 5.00 1.21 3.76 -0.02 0.00 -1.26 -3.09 105.19 110.78 1xrl n GLY 37 Ca 0.00 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 1xrl n GLY 37 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xrl s PRO 38 N 0.00 3.02 0.00 1.61 0.02 -1.26 -4.71 135.00 133.67 1xrl s PRO 38 Ca 0.00 1.69 0.00 0.00 0.02 0.00 0.00 61.00 62.71 1xrl s PRO 38 Cb 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.57 1xrl s PRO 38 CO 0.00 -1.13 0.00 0.41 -0.33 0.00 0.00 177.00 175.95 1xrl n GLY 39 N 0.23 1.21 0.00 0.52 0.00 -1.25 -2.90 105.19 103.01 1xrl n GLY 39 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1xrl n GLY 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xrl n MET 40 N -1.38 1.39 -3.79 1.61 2.81 -1.18 -2.81 117.12 113.76 1xrl n MET 40 Ca 0.00 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.81 1xrl n MET 40 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 1xrl n MET 40 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1xrl s SER 41 N -1.00 -0.30 0.51 7.83 1.04 -1.26 -3.05 113.70 117.47 1xrl s SER 41 Ca 0.00 -0.52 0.29 0.00 0.48 0.00 0.00 55.95 56.20 1xrl s SER 41 Cb 0.00 0.70 1.27 0.00 0.10 0.00 0.00 66.02 68.10 1xrl s SER 41 CO 0.00 -1.28 1.97 1.12 0.98 0.00 0.00 173.24 176.02 1xrl h HIS 42 N 2.00 0.00 -0.99 5.02 2.07 -1.97 -3.33 115.15 117.95 1xrl h HIS 42 Ca -0.21 0.00 0.24 0.00 -2.85 0.00 0.00 60.37 57.55 1xrl h HIS 42 Cb 1.26 0.00 -0.19 0.00 2.57 0.00 0.00 27.41 31.05 1xrl h HIS 42 CO 0.40 0.12 -0.08 -0.44 -3.07 0.00 0.00 177.93 174.86 1xrl h ASP 43 N 0.00 -0.66 0.28 3.10 3.32 -1.93 -0.04 116.42 120.48 1xrl h ASP 43 Ca -0.00 0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1xrl h ASP 43 Cb 0.53 0.54 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1xrl h ASP 43 CO 0.02 -0.35 0.00 0.00 -1.72 0.00 0.00 179.24 177.19 1xrl n TYR 44 N -5.55 0.00 0.60 4.55 4.11 -1.19 -2.24 117.16 117.44 1xrl n TYR 44 Ca 0.20 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.22 1xrl n TYR 44 Cb 0.66 -0.22 0.16 0.00 -0.00 0.00 0.00 39.34 39.94 1xrl n TYR 44 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1xrl n LEU 45 N -1.22 3.23 0.27 -3.48 4.77 -0.03 -4.51 117.00 116.02 1xrl n LEU 45 Ca 0.10 -1.28 0.18 0.00 -0.03 0.00 0.00 56.01 54.99 1xrl n LEU 45 Cb 0.13 -0.13 0.93 0.00 -2.33 0.00 0.00 43.42 42.01 1xrl n LEU 45 CO 0.14 0.63 1.15 -0.07 -1.33 0.00 0.00 177.39 177.91 1xrl h LEU 46 N 4.50 0.00 -2.27 2.23 3.38 -1.50 -0.26 115.31 121.39 1xrl h LEU 46 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xrl h LEU 46 Cb 0.98 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1xrl h LEU 46 CO 0.00 0.00 -0.05 0.77 0.09 0.00 0.00 178.44 179.25 1xrl h SER 47 N 0.00 0.00 0.57 -0.43 4.64 -1.84 -0.42 113.55 116.07 1xrl h SER 47 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1xrl h SER 47 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1xrl h SER 47 CO -0.00 0.05 0.00 0.18 -0.87 0.00 0.00 176.83 176.19 1xrl n LEU 48 N -3.47 0.15 0.24 5.97 4.32 -0.11 -2.79 117.00 121.32 1xrl n LEU 48 Ca -0.02 0.54 0.16 0.00 -0.02 0.00 0.00 56.01 56.66 1xrl n LEU 48 Cb 0.17 -0.51 0.85 0.00 -1.62 0.00 0.00 43.42 42.30 1xrl n LEU 48 CO 0.26 -0.31 1.13 -0.09 -1.22 0.00 0.00 177.39 177.17 1xrl h ARG 49 N 0.00 0.00 -0.58 3.23 2.43 -1.25 -2.04 114.38 116.18 1xrl h ARG 49 Ca 0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1xrl h ARG 49 Cb 0.29 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1xrl h ARG 49 CO 0.00 0.00 0.40 -0.44 -1.51 0.00 0.00 179.97 178.42 1xrl h ASP 50 N 0.00 0.28 0.00 -3.80 3.45 -1.74 -1.60 116.42 113.02 1xrl h ASP 50 Ca 0.05 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1xrl h ASP 50 Cb 0.26 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 1xrl h ASP 50 CO -0.00 0.16 0.03 0.24 -1.57 0.00 0.00 179.24 178.11 1xrl h MET 51 N 0.31 0.00 0.00 3.56 2.86 -1.64 -1.93 114.93 118.09 1xrl h MET 51 Ca 0.27 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1xrl h MET 51 Cb 0.66 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 1xrl h MET 51 CO -0.06 0.00 -0.01 1.79 1.06 0.00 0.00 176.91 179.69 1xrl h THR 52 N 0.00 0.49 -0.01 2.22 1.35 -1.22 0.14 112.91 115.88 1xrl h THR 52 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1xrl h THR 52 Cb 0.07 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1xrl h THR 52 CO 0.00 0.01 -0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1xrl n LYS 53 N -3.78 1.26 -0.29 4.72 5.02 -0.73 -2.94 118.16 121.42 1xrl n LYS 53 Ca -0.03 -0.38 0.07 0.00 -2.02 0.00 0.00 58.31 55.95 1xrl n LYS 53 Cb 0.09 -1.49 0.19 0.00 -0.02 0.00 0.00 35.03 33.80 1xrl n LYS 53 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xrl n GLU 54 N -0.54 2.85 -0.83 1.97 -0.58 0.44 -4.94 120.64 119.01 1xrl n GLU 54 Ca 0.22 -2.40 0.00 0.00 -0.42 0.00 0.00 57.16 54.56 1xrl n GLU 54 Cb 0.21 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1xrl n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xrl n GLY 55 N -0.07 0.57 3.38 0.62 0.00 -1.15 -4.87 105.19 103.66 1xrl n GLY 55 Ca 0.16 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1xrl n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xrl s ILE 56 N -2.00 4.33 0.00 -0.61 1.01 -1.01 0.62 121.20 123.55 1xrl s ILE 56 Ca 0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.67 1xrl s ILE 56 Cb 0.00 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1xrl s ILE 56 CO 0.00 -0.03 1.06 -0.89 0.00 0.00 0.00 174.94 175.08 1xrl s THR 57 N 1.54 4.57 -0.17 2.92 2.01 -0.24 -3.10 115.64 123.17 1xrl s THR 57 Ca 0.03 1.84 -0.02 0.00 0.31 0.00 0.00 61.69 63.86 1xrl s THR 57 Cb -0.18 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 1xrl s THR 57 CO 0.05 0.12 -0.10 0.68 -0.69 0.00 0.00 174.62 174.68 1xrl s VAL 58 N 1.21 3.08 -0.21 3.82 -7.23 0.53 0.04 120.40 121.65 1xrl s VAL 58 Ca 0.54 -0.62 -0.08 0.00 -1.81 0.00 0.00 61.98 60.01 1xrl s VAL 58 Cb -0.24 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 1xrl s VAL 58 CO 0.27 0.49 0.09 -0.22 -0.31 0.00 0.00 175.10 175.41 1xrl s LEU 59 N 0.89 3.79 0.11 1.32 2.96 0.05 -0.92 118.68 126.89 1xrl s LEU 59 Ca -0.03 0.02 0.09 0.00 -0.22 0.00 0.00 54.13 53.99 1xrl s LEU 59 Cb -0.15 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1xrl s LEU 59 CO 0.00 0.10 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.59 1xrl s PHE 60 N 0.83 2.54 -0.08 5.38 0.08 0.12 -2.10 117.98 124.75 1xrl s PHE 60 Ca 0.05 -0.26 -0.30 0.00 0.12 0.00 0.00 56.93 56.53 1xrl s PHE 60 Cb -0.13 -1.36 0.09 0.00 -0.57 0.00 0.00 43.02 41.04 1xrl s PHE 60 CO 0.02 0.37 0.78 1.52 -0.10 0.00 0.00 175.22 177.82 1xrl s TYR 61 N -1.12 -0.56 -0.35 0.36 1.13 -1.26 -0.13 117.35 115.42 1xrl s TYR 61 Ca 0.18 0.92 -0.19 0.00 -1.41 0.00 0.00 57.07 56.57 1xrl s TYR 61 Cb -0.11 0.43 -0.00 0.00 -1.10 0.00 0.00 41.96 41.18 1xrl s TYR 61 CO 0.10 -0.53 0.55 -0.51 -2.51 0.00 0.00 175.55 172.64 1xrl s ASP 62 N -1.25 6.35 1.18 -0.18 -0.00 -0.50 -4.23 116.67 118.04 1xrl s ASP 62 Ca -0.07 0.02 -0.13 0.00 -0.00 0.00 0.00 52.55 52.37 1xrl s ASP 62 Cb -0.00 -2.28 0.28 0.00 -0.00 0.00 0.00 42.92 40.92 1xrl s ASP 62 CO 0.06 -0.51 0.96 0.00 -0.00 0.00 0.00 175.17 175.68 1xrl n GLN 63 N 5.82 -2.48 -1.59 8.23 6.02 -1.26 -4.36 117.38 127.76 1xrl n GLN 63 Ca -0.04 -0.69 -0.46 0.00 -0.01 0.00 0.00 57.00 55.80 1xrl n GLN 63 Cb 0.49 -2.14 -0.02 0.00 1.02 0.00 0.00 30.24 29.58 1xrl n GLN 63 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1xrl n PHE 64 N -4.98 1.36 -0.93 1.08 -1.74 -1.26 -1.05 117.46 109.94 1xrl n PHE 64 Ca 0.03 0.67 0.00 0.00 -0.56 0.00 0.00 57.45 57.59 1xrl n PHE 64 Cb 0.54 -2.28 0.00 0.00 1.52 0.00 0.00 39.48 39.26 1xrl n PHE 64 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1xrl n GLY 65 N 1.59 0.13 3.66 4.97 0.00 -0.44 -4.94 105.19 110.16 1xrl n GLY 65 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1xrl n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xrl n GLY 67 N 0.59 2.76 0.37 0.00 0.00 -1.17 -0.90 105.19 106.84 1xrl n GLY 67 Ca -0.11 0.31 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1xrl n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xrl n ARG 68 N 11.41 1.10 -2.86 1.61 1.74 -1.26 -4.95 116.66 123.45 1xrl n ARG 68 Ca 0.00 -0.75 -0.32 0.00 -0.77 0.00 0.00 57.85 56.02 1xrl n ARG 68 Cb 0.00 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 29.91 1xrl n ARG 68 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1xrl s SER 69 N -2.41 6.71 0.60 0.55 0.01 -0.08 -4.69 113.70 114.39 1xrl s SER 69 Ca 0.25 1.37 -0.15 0.00 1.31 0.00 0.00 55.95 58.74 1xrl s SER 69 Cb 0.19 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 1xrl s SER 69 CO 0.50 -0.36 1.04 -1.83 0.41 0.00 0.00 173.24 173.00 1xrl s GLU 70 N -3.46 3.36 -0.19 12.44 -1.05 -0.63 -4.10 118.70 125.08 1xrl s GLU 70 Ca 0.56 1.08 -0.16 0.00 -0.15 0.00 0.00 54.97 56.30 1xrl s GLU 70 Cb -0.10 -2.04 -0.04 0.00 -0.44 0.00 0.00 34.13 31.51 1xrl s GLU 70 CO 0.23 -0.77 0.42 -2.00 0.95 0.00 0.00 175.26 174.10 1xrl s GLU 71 N -4.34 4.20 0.76 -4.83 2.12 -1.26 -1.33 118.70 114.02 1xrl s GLU 71 Ca 0.61 0.26 -0.11 0.00 0.36 0.00 0.00 54.97 56.09 1xrl s GLU 71 Cb -0.14 -3.52 0.17 0.00 0.26 0.00 0.00 34.13 30.90 1xrl s GLU 71 CO 0.41 -0.02 1.04 -0.35 -0.54 0.00 0.00 175.26 175.79 1xrl n PRO 72 N 4.37 -0.89 -1.65 4.30 -0.04 -1.26 -4.91 135.00 134.93 1xrl n PRO 72 Ca -0.08 -1.74 -0.37 0.00 -0.04 0.00 0.00 63.50 61.28 1xrl n PRO 72 Cb 0.51 -1.02 0.07 0.00 -0.04 0.00 0.00 33.50 33.02 1xrl n PRO 72 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xrl n ASP 73 N -3.58 1.56 -0.13 3.54 2.03 -1.26 -4.88 116.55 113.83 1xrl n ASP 73 Ca 0.13 0.80 0.15 0.00 0.52 0.00 0.00 54.79 56.39 1xrl n ASP 73 Cb 0.47 -1.50 0.52 0.00 -0.72 0.00 0.00 41.12 39.88 1xrl n ASP 73 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1xrl h GLN 74 N 0.38 0.37 0.00 -0.67 1.08 -2.01 -0.92 115.11 113.34 1xrl h GLN 74 Ca -0.50 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 56.68 1xrl h GLN 74 Cb 1.35 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1xrl h GLN 74 CO 0.52 0.25 -0.01 0.66 -0.95 0.00 0.00 178.83 179.29 1xrl h SER 75 N 0.39 0.00 -0.41 1.46 4.64 -2.05 -2.13 113.55 115.45 1xrl h SER 75 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1xrl h SER 75 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1xrl h SER 75 CO -0.10 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.16 1xrl n LYS 76 N -3.15 2.10 -1.91 4.77 5.02 -0.35 -4.62 118.16 120.03 1xrl n LYS 76 Ca -0.02 -1.54 -0.41 0.00 -2.02 0.00 0.00 58.31 54.32 1xrl n LYS 76 Cb 0.18 -1.39 -0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1xrl n LYS 76 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xrl n PHE 77 N 0.70 2.96 -4.13 2.13 0.99 -0.80 -4.73 117.46 114.58 1xrl n PHE 77 Ca 0.14 -2.91 -0.09 0.00 -0.00 0.00 0.00 57.45 54.60 1xrl n PHE 77 Cb 0.40 -2.21 -0.10 0.00 -1.00 0.00 0.00 39.48 36.57 1xrl n PHE 77 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1xrl s THR 78 N 1.29 0.41 0.17 4.37 -4.23 -1.26 -4.93 115.64 111.45 1xrl s THR 78 Ca 0.50 -1.87 -0.12 0.00 -1.18 0.00 0.00 61.69 59.01 1xrl s THR 78 Cb 0.14 -1.66 0.06 0.00 1.34 0.00 0.00 72.50 72.38 1xrl s THR 78 CO -0.05 -0.88 1.69 0.40 -0.54 0.00 0.00 174.62 175.23 1xrl h ILE 79 N 3.03 1.24 -0.88 2.99 5.03 -1.99 -2.04 117.51 124.90 1xrl h ILE 79 Ca -0.35 -0.84 0.07 0.00 -0.12 0.00 0.00 64.86 63.63 1xrl h ILE 79 Cb 1.16 0.71 -0.07 0.00 -3.03 0.00 0.00 36.82 35.59 1xrl h ILE 79 CO 0.65 0.31 0.54 0.44 -0.68 0.00 0.00 178.15 179.41 1xrl h ASP 80 N 0.80 0.83 -0.30 1.72 3.45 -1.96 -0.20 116.42 120.76 1xrl h ASP 80 Ca 0.18 0.03 -0.11 0.00 0.43 0.00 0.00 57.03 57.56 1xrl h ASP 80 Cb 0.31 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 1xrl h ASP 80 CO -0.00 0.51 -0.20 0.22 -1.57 0.00 0.00 179.24 178.20 1xrl h TYR 81 N 0.95 0.88 -0.79 4.55 3.20 -1.79 -2.44 116.97 121.53 1xrl h TYR 81 Ca 0.40 -0.19 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1xrl h TYR 81 Cb 0.24 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 1xrl h TYR 81 CO -0.03 0.91 0.40 0.78 -1.64 0.00 0.00 178.16 178.58 1xrl h GLY 82 N 0.97 1.19 0.87 1.82 0.00 -0.47 -0.85 103.07 106.60 1xrl h GLY 82 Ca 0.10 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 1xrl h GLY 82 CO 0.05 0.54 0.04 -2.08 0.00 0.00 0.00 176.54 175.09 1xrl h VAL 83 N 1.11 1.14 -0.98 4.60 2.07 -0.78 -1.14 116.25 122.27 1xrl h VAL 83 Ca 0.27 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1xrl h VAL 83 Cb 0.08 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1xrl h VAL 83 CO -0.04 0.12 0.65 -0.33 0.02 0.00 0.00 177.57 177.99 1xrl h GLU 84 N -0.01 1.29 -0.42 1.57 4.39 -1.19 -1.60 114.58 118.61 1xrl h GLU 84 Ca 0.03 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.66 1xrl h GLU 84 Cb 0.15 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1xrl h GLU 84 CO -0.00 0.85 0.26 1.49 -1.16 0.00 0.00 179.01 180.45 1xrl h GLU 85 N 1.33 0.52 -0.49 2.33 4.81 -0.94 -1.33 114.58 120.80 1xrl h GLU 85 Ca 0.36 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.58 1xrl h GLU 85 Cb -0.15 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.08 1xrl h GLU 85 CO -0.08 0.35 0.29 0.00 -0.73 0.00 0.00 179.01 178.84 1xrl h ALA 86 N 1.17 0.63 -0.58 2.92 0.00 -0.50 -1.36 119.26 121.53 1xrl h ALA 86 Ca 0.16 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1xrl h ALA 86 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xrl h ALA 86 CO -0.05 -0.01 -0.00 1.49 0.00 0.00 0.00 179.25 180.67 1xrl h GLU 87 N 0.58 1.01 -0.74 0.00 4.57 -1.11 -1.31 114.58 117.58 1xrl h GLU 87 Ca 0.20 -0.31 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 1xrl h GLU 87 Cb 0.02 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 1xrl h GLU 87 CO -0.09 1.00 0.33 0.00 -1.18 0.00 0.00 179.01 179.06 1xrl h ALA 88 N 1.05 0.96 -0.49 2.92 0.00 -0.92 -0.86 119.26 121.93 1xrl h ALA 88 Ca 0.17 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1xrl h ALA 88 Cb 0.54 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xrl h ALA 88 CO 0.03 0.56 -0.19 1.25 0.00 0.00 0.00 179.25 180.90 1xrl h LEU 89 N 1.06 1.01 -0.12 0.00 5.85 -1.04 -0.96 115.31 121.09 1xrl h LEU 89 Ca 0.25 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1xrl h LEU 89 Cb 0.17 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1xrl h LEU 89 CO -0.03 1.17 0.04 -0.09 -0.34 0.00 0.00 178.44 179.19 1xrl h ARG 90 N 0.84 0.20 0.46 1.25 2.43 -0.99 -3.11 114.38 115.46 1xrl h ARG 90 Ca 0.11 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1xrl h ARG 90 Cb 0.77 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1xrl h ARG 90 CO 0.06 0.34 -0.22 1.03 -1.51 0.00 0.00 179.97 179.67 1xrl h SER 91 N 0.01 -0.52 0.00 -3.80 0.87 -1.17 0.45 113.55 109.38 1xrl h SER 91 Ca 0.04 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1xrl h SER 91 Cb 0.23 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1xrl h SER 91 CO -0.00 -0.19 0.00 1.17 -0.53 0.00 0.00 176.83 177.28 1xrl n LYS 92 N -5.26 0.66 0.00 2.24 3.00 -0.37 -0.19 118.16 118.25 1xrl n LYS 92 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 1xrl n LYS 92 Cb 0.30 -1.17 0.00 0.00 0.00 0.00 0.00 35.03 34.16 1xrl n LYS 92 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1xrl n LEU 93 N 0.73 0.00 0.00 3.14 7.94 -1.16 -4.93 117.00 122.72 1xrl n LEU 93 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1xrl n LEU 93 Cb 0.33 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.28 1xrl n LEU 93 CO 0.00 0.00 0.32 0.49 -1.11 0.00 0.00 177.39 177.09 1xrl n PHE 94 N -1.17 0.00 0.00 1.96 3.72 0.16 -5.08 117.46 117.04 1xrl n PHE 94 Ca 0.00 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1xrl n PHE 94 Cb 0.00 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 1xrl n PHE 94 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xrl n GLY 95 N -0.16 3.18 1.30 1.37 0.00 0.74 -2.39 105.19 109.23 1xrl n GLY 95 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1xrl n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xrl n ASN 96 N 7.38 4.40 -4.77 1.61 3.02 -1.26 -4.29 115.26 121.36 1xrl n ASN 96 Ca 0.00 -2.61 -0.39 0.00 -0.03 0.00 0.00 54.58 51.55 1xrl n ASN 96 Cb 0.00 -0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 38.63 1xrl n ASN 96 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1xrl s GLU 97 N -2.13 3.97 -0.08 3.52 2.02 -1.00 -4.98 118.70 120.02 1xrl s GLU 97 Ca 0.45 2.02 -0.28 0.00 0.02 0.00 0.00 54.97 57.18 1xrl s GLU 97 Cb 0.31 -2.70 -0.02 0.00 0.10 0.00 0.00 34.13 31.82 1xrl s GLU 97 CO 0.18 -0.45 0.92 0.15 0.02 0.00 0.00 175.26 176.08 1xrl s LYS 98 N -2.29 4.45 0.23 1.61 -0.14 -1.26 -4.91 119.74 117.42 1xrl s LYS 98 Ca 0.57 1.26 0.10 0.00 -1.36 0.00 0.00 55.97 56.54 1xrl s LYS 98 Cb -0.35 -3.51 -0.05 0.00 -1.68 0.00 0.00 37.83 32.25 1xrl s LYS 98 CO 0.44 -0.18 -0.18 0.08 -0.76 0.00 0.00 175.35 174.76 1xrl s VAL 99 N 1.53 2.07 0.06 3.17 1.01 -0.69 -4.73 120.40 122.82 1xrl s VAL 99 Ca 0.46 -2.23 -0.18 0.00 0.00 0.00 0.00 61.98 60.03 1xrl s VAL 99 Cb -0.19 -2.12 -0.07 0.00 0.00 0.00 0.00 36.38 34.01 1xrl s VAL 99 CO 0.20 -0.45 0.54 -0.36 0.00 0.00 0.00 175.10 175.03 1xrl s PHE 100 N -2.57 3.79 -0.10 5.22 0.08 -0.12 -1.40 117.98 122.89 1xrl s PHE 100 Ca 0.24 1.22 0.04 0.00 0.12 0.00 0.00 56.93 58.55 1xrl s PHE 100 Cb -0.04 -2.46 -0.00 0.00 -0.57 0.00 0.00 43.02 39.96 1xrl s PHE 100 CO 0.10 0.59 -0.24 -1.17 -0.10 0.00 0.00 175.22 174.41 1xrl s LEU 101 N -1.14 2.11 -0.03 -0.37 0.20 -0.39 -0.30 118.68 118.77 1xrl s LEU 101 Ca 0.28 -0.54 0.05 0.00 0.69 0.00 0.00 54.13 54.61 1xrl s LEU 101 Cb -0.19 -1.41 -0.01 0.00 -0.43 0.00 0.00 46.19 44.15 1xrl s LEU 101 CO 0.18 0.17 -0.18 -0.32 -0.29 0.00 0.00 176.35 175.91 1xrl s MET 102 N 0.28 1.66 -0.00 1.98 -2.45 -0.10 -0.02 119.30 120.65 1xrl s MET 102 Ca -0.17 -0.64 0.02 0.00 -1.25 0.00 0.00 55.69 53.65 1xrl s MET 102 Cb -0.17 -1.51 -0.01 0.00 1.25 0.00 0.00 34.83 34.39 1xrl s MET 102 CO 0.08 0.32 -0.05 0.20 1.05 0.00 0.00 175.02 176.62 1xrl s GLY 103 N -0.20 0.27 -0.17 2.11 0.00 -0.01 -0.97 107.32 108.35 1xrl s GLY 103 Ca 0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 44.72 44.44 1xrl s GLY 103 CO 0.01 -0.23 -0.04 -0.45 0.00 0.00 0.00 173.10 172.39 1xrl s SER 104 N -0.23 4.62 1.09 1.64 0.15 -0.87 -0.78 113.70 119.33 1xrl s SER 104 Ca 0.01 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1xrl s SER 104 Cb -0.03 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 1xrl s SER 104 CO -0.00 0.11 0.00 -1.54 1.20 0.00 0.00 173.24 173.01 1xrl n SER 105 N 3.91 0.00 -0.21 5.45 3.41 0.20 -0.42 113.62 125.95 1xrl n SER 105 Ca -0.18 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.49 1xrl n SER 105 Cb 0.52 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.79 1xrl n SER 105 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1xrl h TYR 106 N 0.00 0.84 0.00 7.33 5.03 -1.84 0.88 116.97 129.20 1xrl h TYR 106 Ca 0.00 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.31 1xrl h TYR 106 Cb 0.00 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 38.00 1xrl h TYR 106 CO 0.00 0.45 -0.10 0.78 -1.32 0.00 0.00 178.16 177.97 1xrl h GLY 107 N 0.83 0.00 0.76 1.82 0.00 -0.65 0.88 103.07 106.71 1xrl h GLY 107 Ca 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.59 1xrl h GLY 107 CO -0.11 0.00 -0.16 -1.33 0.00 0.00 0.00 176.54 174.94 1xrl h GLY 108 N 0.68 0.42 0.99 4.60 0.00 0.80 0.33 103.07 110.90 1xrl h GLY 108 Ca -0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1xrl h GLY 108 CO 0.01 0.39 0.28 0.00 0.00 0.00 0.00 176.54 177.22 1xrl h ALA 109 N 0.62 0.58 -0.82 3.60 0.00 -0.59 -0.06 119.26 122.59 1xrl h ALA 109 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xrl h ALA 109 Cb 0.69 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1xrl h ALA 109 CO 0.04 0.06 0.53 1.25 0.00 0.00 0.00 179.25 181.13 1xrl h LEU 110 N 0.60 0.96 -0.93 0.00 5.85 -0.76 -0.70 115.31 120.33 1xrl h LEU 110 Ca 0.16 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1xrl h LEU 110 Cb -0.02 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1xrl h LEU 110 CO -0.03 0.71 0.25 0.00 -0.34 0.00 0.00 178.44 179.03 1xrl h ALA 111 N 1.29 1.14 -0.31 1.25 0.00 0.27 -0.82 119.26 122.09 1xrl h ALA 111 Ca 0.30 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1xrl h ALA 111 Cb -0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1xrl h ALA 111 CO -0.06 0.61 0.03 -0.07 0.00 0.00 0.00 179.25 179.76 1xrl h LEU 112 N 1.01 0.50 -0.69 0.00 3.38 -0.16 -0.83 115.31 118.52 1xrl h LEU 112 Ca 0.23 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1xrl h LEU 112 Cb 0.23 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1xrl h LEU 112 CO -0.02 0.66 0.44 0.00 0.09 0.00 0.00 178.44 179.61 1xrl h ALA 113 N 0.87 0.89 0.09 1.53 0.00 -0.89 -1.40 119.26 120.35 1xrl h ALA 113 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xrl h ALA 113 Cb 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1xrl h ALA 113 CO 0.01 0.23 -0.08 -0.92 0.00 0.00 0.00 179.25 178.50 1xrl h TYR 114 N 0.87 -0.20 -0.90 0.00 3.20 -0.93 -2.82 116.97 116.19 1xrl h TYR 114 Ca 0.27 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.23 1xrl h TYR 114 Cb -0.02 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.25 1xrl h TYR 114 CO -0.04 -0.12 0.55 0.00 -1.64 0.00 0.00 178.16 176.91 1xrl h ALA 115 N 0.72 1.30 -0.77 1.82 0.00 -0.83 0.76 119.26 122.27 1xrl h ALA 115 Ca 0.00 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.03 1xrl h ALA 115 Cb 0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1xrl h ALA 115 CO -0.01 0.21 0.50 0.28 0.00 0.00 0.00 179.25 180.23 1xrl h VAL 116 N 0.93 0.91 0.00 0.00 2.07 -1.01 -1.58 116.25 117.57 1xrl h VAL 116 Ca 0.43 -0.22 -0.38 0.00 0.82 0.00 0.00 66.70 67.34 1xrl h VAL 116 Cb 0.34 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.26 1xrl h VAL 116 CO -0.23 0.12 -2.44 1.17 0.02 0.00 0.00 177.57 176.20 1xrl n LYS 117 N -4.50 0.66 -0.98 1.57 4.81 -0.50 -4.73 118.16 114.50 1xrl n LYS 117 Ca 0.13 0.10 -0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1xrl n LYS 117 Cb 0.36 -1.52 0.16 0.00 0.02 0.00 0.00 35.03 34.05 1xrl n LYS 117 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1xrl n TYR 118 N -3.09 0.56 0.31 5.64 4.01 0.25 -4.78 117.16 120.07 1xrl n TYR 118 Ca -0.41 -1.58 0.18 0.00 -0.16 0.00 0.00 57.90 55.93 1xrl n TYR 118 Cb 1.05 -0.26 1.02 0.00 -0.31 0.00 0.00 39.34 40.84 1xrl n TYR 118 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 1xrl h GLN 119 N 1.26 0.00 0.00 -0.72 3.07 -1.42 -1.15 115.11 116.15 1xrl h GLN 119 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.79 1xrl h GLN 119 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.73 1xrl h GLN 119 CO 0.16 0.02 0.00 0.38 0.09 0.00 0.00 178.83 179.48 1xrl h ASP 120 N 0.00 0.00 -0.21 0.06 3.04 -1.86 0.02 116.42 117.47 1xrl h ASP 120 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1xrl h ASP 120 Cb 0.08 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.37 1xrl h ASP 120 CO 0.00 0.00 0.00 1.41 -2.04 0.00 0.00 179.24 178.61 1xrl n HIS 121 N -2.84 0.26 -4.35 4.15 8.25 -0.43 -4.93 115.22 115.32 1xrl n HIS 121 Ca -0.01 -0.13 -0.30 0.00 -0.26 0.00 0.00 57.72 57.02 1xrl n HIS 121 Cb 0.17 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.17 1xrl n HIS 121 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xrl s LEU 122 N -1.66 2.88 -0.02 2.41 1.43 -0.01 -1.71 118.68 122.01 1xrl s LEU 122 Ca 0.35 -0.42 0.18 0.00 -1.03 0.00 0.00 54.13 53.20 1xrl s LEU 122 Cb 0.20 -1.69 -0.24 0.00 0.03 0.00 0.00 46.19 44.48 1xrl s LEU 122 CO 0.30 0.20 0.52 1.17 0.23 0.00 0.00 176.35 178.77 1xrl n LYS 123 N 0.96 0.82 -3.62 1.70 4.81 -0.49 -4.81 118.16 117.54 1xrl n LYS 123 Ca -0.15 -0.10 -0.03 0.00 -0.87 0.00 0.00 58.31 57.16 1xrl n LYS 123 Cb 0.52 -1.38 -0.03 0.00 0.02 0.00 0.00 35.03 34.17 1xrl n LYS 123 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1xrl s GLY 124 N -3.52 -0.18 -0.03 3.14 0.00 -1.26 -4.39 107.32 101.08 1xrl s GLY 124 Ca -0.02 1.98 0.05 0.00 0.00 0.00 0.00 44.72 46.73 1xrl s GLY 124 CO 0.73 0.71 -0.18 -2.27 0.00 0.00 0.00 173.10 172.09 1xrl s LEU 125 N -1.84 1.97 -0.11 0.66 2.96 0.21 -1.27 118.68 121.27 1xrl s LEU 125 Ca 0.09 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1xrl s LEU 125 Cb -0.01 -0.96 0.02 0.00 0.50 0.00 0.00 46.19 45.74 1xrl s LEU 125 CO -0.04 0.18 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.42 1xrl s ILE 126 N -0.16 1.26 -0.20 6.68 1.09 0.97 -0.40 121.20 130.43 1xrl s ILE 126 Ca 0.01 -0.48 0.01 0.00 -1.10 0.00 0.00 60.65 59.09 1xrl s ILE 126 Cb -0.10 -1.20 0.04 0.00 -1.06 0.00 0.00 42.46 40.15 1xrl s ILE 126 CO 0.01 0.40 -0.13 -0.69 -0.10 0.00 0.00 174.94 174.43 1xrl s VAL 127 N 1.26 1.84 -0.29 2.92 1.01 0.02 -0.83 120.40 126.33 1xrl s VAL 127 Ca -0.02 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 1xrl s VAL 127 Cb -0.14 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.43 1xrl s VAL 127 CO -0.04 0.22 -0.01 -0.44 0.00 0.00 0.00 175.10 174.83 1xrl s SER 128 N 1.32 4.74 -1.41 3.32 0.01 0.04 -0.76 113.70 120.96 1xrl s SER 128 Ca -0.01 -1.13 -0.02 0.00 1.31 0.00 0.00 55.95 56.09 1xrl s SER 128 Cb -0.16 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.36 1xrl s SER 128 CO -0.09 -0.22 0.33 0.61 0.41 0.00 0.00 173.24 174.28 1xrl n GLY 129 N 4.65 -0.35 1.45 3.44 0.00 -0.52 -0.63 105.19 113.22 1xrl n GLY 129 Ca -0.14 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1xrl n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xrl n GLY 130 N -1.27 0.32 3.54 -0.02 0.00 -1.26 -3.12 105.19 103.39 1xrl n GLY 130 Ca -0.14 -1.92 -0.17 0.00 0.00 0.00 0.00 46.02 43.78 1xrl n GLY 130 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xrl s LEU 131 N 0.00 -0.67 0.00 0.99 2.34 -1.26 -4.64 118.68 115.44 1xrl s LEU 131 Ca 0.26 0.82 0.14 0.00 0.06 0.00 0.00 54.13 55.40 1xrl s LEU 131 Cb -0.01 2.51 0.08 0.00 -0.56 0.00 0.00 46.19 48.21 1xrl s LEU 131 CO 0.17 -0.55 0.89 -1.54 -1.06 0.00 0.00 176.35 174.26 1xrl n SER 132 N 1.17 1.96 -3.55 1.48 3.41 -1.26 -4.00 113.62 112.83 1xrl n SER 132 Ca -0.18 -1.48 -0.08 0.00 -0.26 0.00 0.00 58.87 56.87 1xrl n SER 132 Cb 0.57 0.12 -0.09 0.00 -0.26 0.00 0.00 64.21 64.55 1xrl n SER 132 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1xrl s SER 133 N -1.27 -0.18 0.03 4.04 0.15 -1.26 -0.90 113.70 114.31 1xrl s SER 133 Ca 0.15 0.79 -0.21 0.00 0.70 0.00 0.00 55.95 57.38 1xrl s SER 133 Cb 0.11 1.34 -0.16 0.00 -1.71 0.00 0.00 66.02 65.60 1xrl s SER 133 CO 0.21 -0.25 1.30 0.58 1.20 0.00 0.00 173.24 176.28 1xrl h VAL 134 N 6.17 1.37 -0.71 4.45 2.07 -1.39 -2.02 116.25 126.19 1xrl h VAL 134 Ca -0.17 -1.40 0.12 0.00 0.82 0.00 0.00 66.70 66.07 1xrl h VAL 134 Cb 1.12 2.00 -0.09 0.00 -1.52 0.00 0.00 31.29 32.81 1xrl h VAL 134 CO 0.17 0.41 0.29 -0.65 0.02 0.00 0.00 177.57 177.80 1xrl h PRO 135 N -0.08 0.45 -0.38 1.57 0.11 -1.75 0.32 132.00 132.24 1xrl h PRO 135 Ca 0.01 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1xrl h PRO 135 Cb 0.73 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 1xrl h PRO 135 CO 0.04 0.30 0.15 1.25 -0.21 0.00 0.00 178.00 179.52 1xrl h LEU 136 N 0.46 0.52 -0.75 2.35 5.85 -1.93 -1.20 115.31 120.62 1xrl h LEU 136 Ca 0.38 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.96 1xrl h LEU 136 Cb 0.52 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1xrl h LEU 136 CO -0.36 0.55 0.47 0.74 -0.34 0.00 0.00 178.44 179.50 1xrl h THR 137 N 0.46 1.09 -0.24 1.05 2.02 -0.41 -1.49 112.91 115.39 1xrl h THR 137 Ca 0.12 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1xrl h THR 137 Cb 0.20 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1xrl h THR 137 CO -0.01 0.16 0.15 0.58 0.37 0.00 0.00 175.52 176.77 1xrl h VAL 138 N 0.90 1.09 -0.53 3.16 2.07 -0.04 -1.03 116.25 121.87 1xrl h VAL 138 Ca 0.31 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.72 1xrl h VAL 138 Cb 0.05 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 1xrl h VAL 138 CO -0.12 0.08 0.14 0.50 0.02 0.00 0.00 177.57 178.19 1xrl h LYS 139 N 0.31 0.28 -0.20 1.57 3.64 -0.51 0.40 116.57 122.06 1xrl h LYS 139 Ca 0.09 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1xrl h LYS 139 Cb 0.00 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1xrl h LYS 139 CO -0.02 0.19 0.08 0.93 -2.27 0.00 0.00 179.45 178.36 1xrl h GLU 140 N 0.29 0.30 -0.35 1.90 4.39 -0.95 -2.56 114.58 117.61 1xrl h GLU 140 Ca 0.27 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1xrl h GLU 140 Cb 0.34 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1xrl h GLU 140 CO -0.31 0.36 0.15 0.52 -1.16 0.00 0.00 179.01 178.57 1xrl h MET 141 N 0.18 0.49 -0.21 2.33 2.86 -0.75 -1.15 114.93 118.68 1xrl h MET 141 Ca 0.07 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1xrl h MET 141 Cb 0.17 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1xrl h MET 141 CO -0.01 0.39 -0.08 -0.91 1.06 0.00 0.00 176.91 177.37 1xrl h ASN 142 N 0.49 0.31 -0.25 1.22 -0.26 -0.59 -0.52 115.58 115.99 1xrl h ASN 142 Ca 0.12 -0.06 -0.09 0.00 -0.56 0.00 0.00 56.30 55.71 1xrl h ASN 142 Cb 0.08 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1xrl h ASN 142 CO -0.02 0.43 -0.21 -0.09 -1.06 0.00 0.00 177.43 176.49 1xrl h ARG 143 N 0.32 0.58 -0.63 0.81 2.43 -0.85 -2.56 114.38 114.48 1xrl h ARG 143 Ca 0.07 -0.29 0.05 0.00 -0.81 0.00 0.00 59.98 59.00 1xrl h ARG 143 Cb 0.34 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 1xrl h ARG 143 CO 0.02 0.88 0.42 -0.07 -1.51 0.00 0.00 179.97 179.70 1xrl h LEU 144 N 0.29 0.58 -0.08 3.80 3.38 -0.68 -1.28 115.31 121.33 1xrl h LEU 144 Ca 0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1xrl h LEU 144 Cb 0.75 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1xrl h LEU 144 CO 0.05 0.39 0.03 0.40 0.09 0.00 0.00 178.44 179.40 1xrl h ILE 145 N 0.67 1.16 0.00 1.22 1.08 -0.89 -2.42 117.51 118.34 1xrl h ILE 145 Ca 0.26 -0.49 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 1xrl h ILE 145 Cb 0.20 1.35 -0.00 0.00 -3.07 0.00 0.00 36.82 35.30 1xrl h ILE 145 CO -0.08 0.14 -0.04 0.44 -0.69 0.00 0.00 178.15 177.93 1xrl h ASP 146 N -0.06 0.00 1.42 1.72 3.32 -0.93 -1.63 116.42 120.27 1xrl h ASP 146 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1xrl h ASP 146 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1xrl h ASP 146 CO -0.00 0.04 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.14 1xrl h GLU 147 N 0.00 0.00 -7.25 3.56 5.08 -0.79 -3.46 114.58 111.71 1xrl h GLU 147 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1xrl h GLU 147 Cb 0.09 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.45 1xrl h GLU 147 CO 0.00 0.00 0.36 -0.51 -1.00 0.00 0.00 179.01 177.86 1xrl s LEU 148 N -4.60 3.26 0.34 1.33 1.02 -0.61 -4.95 118.68 114.48 1xrl s LEU 148 Ca 0.10 1.86 -0.29 0.00 0.02 0.00 0.00 54.13 55.82 1xrl s LEU 148 Cb 0.12 -4.53 -0.11 0.00 0.02 0.00 0.00 46.19 41.69 1xrl s LEU 148 CO 0.62 -1.65 1.51 -2.16 0.02 0.00 0.00 176.35 174.70 1xrl s PRO 149 N -4.48 4.12 0.30 1.29 0.04 -1.26 -4.55 135.00 130.46 1xrl s PRO 149 Ca 0.63 2.56 0.13 0.00 0.04 0.00 0.00 61.00 64.36 1xrl s PRO 149 Cb -0.18 -2.99 1.00 0.00 0.04 0.00 0.00 34.50 32.37 1xrl s PRO 149 CO 0.47 -0.55 1.34 0.00 0.04 0.00 0.00 177.00 178.30 1xrl n ALA 150 N 1.07 0.75 -0.27 8.56 0.00 -1.26 -0.22 120.51 129.14 1xrl n ALA 150 Ca 0.03 0.88 0.08 0.00 0.00 0.00 0.00 53.44 54.43 1xrl n ALA 150 Cb 0.39 -0.81 0.21 0.00 0.00 0.00 0.00 19.45 19.24 1xrl n ALA 150 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xrl h LYS 151 N 0.00 0.18 0.05 0.00 3.64 -2.00 0.78 116.57 119.22 1xrl h LYS 151 Ca 0.66 -0.01 -0.35 0.00 -1.27 0.00 0.00 60.65 59.68 1xrl h LYS 151 Cb 1.67 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.40 1xrl h LYS 151 CO -0.69 0.12 -2.03 0.66 -2.27 0.00 0.00 179.45 175.24 1xrl n TYR 152 N -5.25 0.84 -0.13 1.91 4.02 0.70 -3.72 117.16 115.53 1xrl n TYR 152 Ca 0.16 0.22 -0.06 0.00 -0.01 0.00 0.00 57.90 58.22 1xrl n TYR 152 Cb 0.54 -1.13 0.03 0.00 -0.02 0.00 0.00 39.34 38.76 1xrl n TYR 152 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1xrl h ARG 153 N 0.03 0.38 -0.57 -0.72 2.43 -0.98 -1.11 114.38 113.84 1xrl h ARG 153 Ca -0.42 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.68 1xrl h ARG 153 Cb 2.03 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 31.47 1xrl h ARG 153 CO 0.05 0.25 0.16 -0.44 -1.51 0.00 0.00 179.97 178.48 1xrl h ASP 154 N 0.39 0.84 -0.94 -3.80 3.32 -1.04 -2.09 116.42 113.11 1xrl h ASP 154 Ca 0.18 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.03 1xrl h ASP 154 Cb 0.11 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 1xrl h ASP 154 CO -0.14 0.84 0.62 0.00 -1.72 0.00 0.00 179.24 178.84 1xrl h ALA 155 N 1.03 1.20 -0.46 3.45 0.00 -1.54 0.22 119.26 123.16 1xrl h ALA 155 Ca 0.18 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1xrl h ALA 155 Cb 0.31 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1xrl h ALA 155 CO -0.00 0.57 0.03 0.82 0.00 0.00 0.00 179.25 180.66 1xrl h ILE 156 N 1.26 1.26 -0.00 0.00 1.08 -0.97 -1.86 117.51 118.27 1xrl h ILE 156 Ca 0.35 -1.00 -0.16 0.00 -0.39 0.00 0.00 64.86 63.66 1xrl h ILE 156 Cb -0.12 1.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 1xrl h ILE 156 CO -0.08 0.35 -0.74 0.11 -0.69 0.00 0.00 178.15 177.10 1xrl h LYS 157 N 0.65 0.04 0.03 2.37 1.57 -0.98 -1.66 116.57 118.59 1xrl h LYS 157 Ca 0.13 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1xrl h LYS 157 Cb 0.46 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1xrl h LYS 157 CO 0.02 0.76 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.43 1xrl h LYS 158 N 0.03 -0.03 -0.13 3.15 3.64 -0.47 -2.97 116.57 119.79 1xrl h LYS 158 Ca -0.01 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1xrl h LYS 158 Cb 1.31 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1xrl h LYS 158 CO 0.10 -0.02 -0.36 1.88 -2.27 0.00 0.00 179.45 178.78 1xrl h TYR 159 N -0.12 0.30 0.00 1.91 -1.99 -1.51 -2.51 116.97 113.05 1xrl h TYR 159 Ca -0.00 -0.07 -0.06 0.00 2.00 0.00 0.00 58.73 60.60 1xrl h TYR 159 Cb 0.03 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.68 1xrl h TYR 159 CO 0.05 0.59 -0.27 0.78 -0.00 0.00 0.00 178.16 179.32 1xrl h GLY 160 N 1.14 0.00 1.97 3.88 0.00 -1.40 0.76 103.07 109.41 1xrl h GLY 160 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 1xrl h GLY 160 CO 0.06 0.00 -0.29 0.23 0.00 0.00 0.00 176.54 176.54 1xrl h SER 161 N 0.00 0.00 -0.38 0.19 0.87 -1.28 -3.21 113.55 109.74 1xrl h SER 161 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xrl h SER 161 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1xrl h SER 161 CO 0.03 0.25 0.00 -1.54 -0.53 0.00 0.00 176.83 175.05 1xrl n SER 162 N -3.15 3.37 -1.66 6.23 3.41 -0.94 -4.96 113.62 115.93 1xrl n SER 162 Ca 0.03 -1.96 -0.14 0.00 -0.26 0.00 0.00 58.87 56.53 1xrl n SER 162 Cb 0.64 -0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1xrl n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xrl n GLY 163 N 1.38 -0.20 2.86 5.00 0.00 -0.64 -4.94 105.19 108.67 1xrl n GLY 163 Ca 0.18 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1xrl n GLY 163 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xrl n SER 164 N -0.73 6.59 0.00 1.61 7.64 0.17 -4.78 113.62 124.12 1xrl n SER 164 Ca -0.16 -3.51 0.10 0.00 1.01 0.00 0.00 58.87 56.31 1xrl n SER 164 Cb 0.62 -1.20 0.45 0.00 -1.01 0.00 0.00 64.21 63.07 1xrl n SER 164 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1xrl n TYR 165 N 0.83 0.00 0.51 1.43 4.02 -1.26 -2.74 117.16 119.95 1xrl n TYR 165 Ca 0.33 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.34 1xrl n TYR 165 Cb 0.31 -0.47 0.20 0.00 -0.02 0.00 0.00 39.34 39.36 1xrl n TYR 165 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 1xrl h GLU 166 N 0.00 0.00 -6.71 -0.72 9.09 -1.96 -3.42 114.58 110.86 1xrl h GLU 166 Ca 0.00 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.86 1xrl h GLU 166 Cb 0.33 0.00 0.08 0.00 -1.65 0.00 0.00 28.75 27.51 1xrl h GLU 166 CO 0.00 0.00 0.76 -1.71 0.05 0.00 0.00 179.01 178.11 1xrl n ASN 167 N -2.26 3.38 -0.31 3.06 5.15 -1.11 -4.87 115.26 118.31 1xrl n ASN 167 Ca 0.03 1.15 -0.05 0.00 -0.60 0.00 0.00 54.58 55.11 1xrl n ASN 167 Cb 0.45 -1.52 0.07 0.00 -0.53 0.00 0.00 39.78 38.25 1xrl n ASN 167 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1xrl h PRO 168 N 4.51 1.19 -0.42 1.20 0.13 -1.92 -0.42 132.00 136.27 1xrl h PRO 168 Ca -0.46 -0.17 -0.01 0.00 -0.87 0.00 0.00 66.00 64.48 1xrl h PRO 168 Cb 1.25 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 1xrl h PRO 168 CO 0.77 0.92 0.21 0.93 -0.23 0.00 0.00 178.00 180.60 1xrl h GLU 169 N 1.18 0.61 0.16 0.86 5.08 -1.98 0.30 114.58 120.79 1xrl h GLU 169 Ca 0.29 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1xrl h GLU 169 Cb 0.11 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xrl h GLU 169 CO -0.04 0.52 -0.08 -0.92 -1.00 0.00 0.00 179.01 177.50 1xrl h TYR 170 N 0.54 -0.21 -0.57 4.33 3.20 -1.79 -0.31 116.97 122.16 1xrl h TYR 170 Ca 0.15 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.08 1xrl h TYR 170 Cb 0.11 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1xrl h TYR 170 CO -0.01 -0.08 0.38 0.37 -1.64 0.00 0.00 178.16 177.18 1xrl h GLN 171 N -0.28 0.48 -0.48 1.82 5.75 -0.82 0.20 115.11 121.78 1xrl h GLN 171 Ca -0.02 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.31 1xrl h GLN 171 Cb 0.22 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 1xrl h GLN 171 CO 0.04 0.32 -0.23 1.49 -2.65 0.00 0.00 178.83 177.80 1xrl h GLU 172 N 0.49 1.00 -0.30 1.69 4.81 0.15 -0.95 114.58 121.46 1xrl h GLU 172 Ca 0.25 -0.43 -0.13 0.00 -0.13 0.00 0.00 59.36 58.91 1xrl h GLU 172 Cb 0.36 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1xrl h GLU 172 CO -0.07 1.11 -0.36 0.00 -0.73 0.00 0.00 179.01 178.96 1xrl h ALA 173 N 0.87 0.80 -0.26 2.92 0.00 0.79 -2.05 119.26 122.32 1xrl h ALA 173 Ca 0.11 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1xrl h ALA 173 Cb 0.81 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1xrl h ALA 173 CO 0.07 0.65 0.09 0.28 0.00 0.00 0.00 179.25 180.34 1xrl h VAL 174 N 0.58 1.19 -0.72 0.00 2.07 -0.46 -1.87 116.25 117.04 1xrl h VAL 174 Ca 0.06 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 67.01 1xrl h VAL 174 Cb 0.88 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1xrl h VAL 174 CO 0.08 0.20 0.45 -1.13 0.02 0.00 0.00 177.57 177.19 1xrl h ASN 175 N 0.27 0.75 -0.04 0.57 -0.73 -1.06 -1.32 115.58 114.03 1xrl h ASN 175 Ca 0.09 -0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.27 1xrl h ASN 175 Cb 0.22 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.61 1xrl h ASN 175 CO -0.00 0.52 -0.09 0.22 -0.37 0.00 0.00 177.43 177.71 1xrl h TYR 176 N 0.89 -0.24 -0.89 0.67 3.20 -1.07 -0.78 116.97 118.75 1xrl h TYR 176 Ca 0.28 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.28 1xrl h TYR 176 Cb -0.00 0.11 -0.08 0.00 1.54 0.00 0.00 36.73 38.30 1xrl h TYR 176 CO -0.04 -0.15 0.52 0.35 -1.64 0.00 0.00 178.16 177.21 1xrl h PHE 177 N -0.15 0.93 -0.44 -3.82 3.04 -0.87 -2.12 116.94 113.51 1xrl h PHE 177 Ca 0.05 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 1xrl h PHE 177 Cb 0.21 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.42 1xrl h PHE 177 CO -0.18 0.34 0.15 1.88 -2.02 0.00 0.00 178.31 178.49 1xrl h TYR 178 N 0.82 0.70 0.00 0.41 -1.99 -0.49 0.29 116.97 116.71 1xrl h TYR 178 Ca 0.45 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 61.11 1xrl h TYR 178 Cb 0.48 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.01 1xrl h TYR 178 CO -0.05 0.62 0.00 0.72 -0.00 0.00 0.00 178.16 179.45 1xrl n HIS 179 N -4.57 0.00 -0.02 4.88 8.25 -0.37 -0.61 115.22 122.77 1xrl n HIS 179 Ca 0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.44 1xrl n HIS 179 Cb 0.17 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 1xrl n HIS 179 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1xrl n GLN 180 N -1.02 1.11 0.00 -0.41 -0.06 -0.90 -4.26 117.38 111.84 1xrl n GLN 180 Ca 0.15 0.02 0.00 0.00 -2.00 0.00 0.00 57.00 55.16 1xrl n GLN 180 Cb 0.08 -1.09 -0.00 0.00 -4.06 0.00 0.00 30.24 25.17 1xrl n GLN 180 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1xrl n HIS 181 N -2.48 0.00 -0.09 3.69 8.25 0.99 -4.79 115.22 120.79 1xrl n HIS 181 Ca -0.07 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.22 1xrl n HIS 181 Cb 0.59 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.64 1xrl n HIS 181 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1xrl n LEU 182 N -0.90 1.66 -3.40 2.41 7.94 0.22 -1.57 117.00 123.35 1xrl n LEU 182 Ca 0.00 0.28 -0.10 0.00 -1.11 0.00 0.00 56.01 55.08 1xrl n LEU 182 Cb 0.00 -0.66 -0.09 0.00 0.53 0.00 0.00 43.42 43.21 1xrl n LEU 182 CO 0.00 0.11 -0.06 -0.22 -1.11 0.00 0.00 177.39 176.11 1xrl s LEU 183 N -7.43 -0.58 -1.21 -1.96 0.20 -0.12 -1.24 118.68 106.33 1xrl s LEU 183 Ca -0.28 0.28 -0.16 0.00 0.69 0.00 0.00 54.13 54.66 1xrl s LEU 183 Cb 0.08 1.07 0.13 0.00 -0.43 0.00 0.00 46.19 47.03 1xrl s LEU 183 CO 0.37 -0.29 1.53 -0.13 -0.29 0.00 0.00 176.35 177.53 1xrl s ARG 184 N 2.53 4.00 -0.06 1.98 0.52 -1.26 -4.23 118.95 122.43 1xrl s ARG 184 Ca 0.10 -2.24 -0.31 0.00 -0.52 0.00 0.00 55.73 52.76 1xrl s ARG 184 Cb -0.15 -5.24 0.07 0.00 0.52 0.00 0.00 34.95 30.15 1xrl s ARG 184 CO -0.15 -1.97 0.68 0.45 0.02 0.00 0.00 175.30 174.34 1xrl s SER 185 N 3.50 -0.66 0.00 0.23 0.15 -1.26 -4.99 113.70 110.67 1xrl s SER 185 Ca 0.46 0.74 0.23 0.00 0.70 0.00 0.00 55.95 58.08 1xrl s SER 185 Cb -0.00 0.56 0.07 0.00 -1.71 0.00 0.00 66.02 64.93 1xrl s SER 185 CO 0.02 -0.60 1.12 -1.84 1.20 0.00 0.00 173.24 173.14 1xrl n GLU 186 N 0.96 0.82 -3.52 5.44 -0.00 -1.26 -4.59 120.64 118.48 1xrl n GLU 186 Ca -0.19 -0.65 -0.27 0.00 -0.00 0.00 0.00 57.16 56.05 1xrl n GLU 186 Cb 0.57 -1.49 -0.10 0.00 -0.00 0.00 0.00 31.44 30.42 1xrl n GLU 186 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1xrl n ASP 187 N -0.53 0.99 -4.74 -1.84 4.64 -1.26 -5.11 116.55 108.70 1xrl n ASP 187 Ca 0.08 -2.75 -0.42 0.00 -1.38 0.00 0.00 54.79 50.33 1xrl n ASP 187 Cb 0.41 -0.63 -0.02 0.00 -1.04 0.00 0.00 41.12 39.84 1xrl n ASP 187 CO 0.00 0.00 0.00 0.26 -0.82 0.00 0.00 177.20 176.64 1xrl s TRP 188 N -0.76 2.97 0.51 -0.67 0.52 -1.26 -4.97 118.94 115.28 1xrl s TRP 188 Ca 0.31 0.85 -0.22 0.00 0.02 0.00 0.00 56.10 57.06 1xrl s TRP 188 Cb 0.04 -3.91 -0.06 0.00 -1.15 0.00 0.00 33.47 28.39 1xrl s TRP 188 CO -0.17 -3.12 1.25 -1.25 0.02 0.00 0.00 176.95 173.69 1xrl s PRO 189 N 0.04 3.40 0.29 4.98 0.04 -1.26 -4.86 135.00 137.64 1xrl s PRO 189 Ca 0.63 1.98 0.04 0.00 0.04 0.00 0.00 61.00 63.69 1xrl s PRO 189 Cb -0.44 -2.29 0.67 0.00 0.04 0.00 0.00 34.50 32.49 1xrl s PRO 189 CO 0.41 -0.90 1.78 -1.35 0.04 0.00 0.00 177.00 176.97 1xrl h PRO 190 N 1.66 0.73 -0.79 0.56 0.11 -1.99 -1.70 132.00 130.57 1xrl h PRO 190 Ca -0.50 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 65.68 1xrl h PRO 190 Cb 1.28 -0.16 -0.08 0.00 0.11 0.00 0.00 31.00 32.14 1xrl h PRO 190 CO 0.58 0.48 0.41 0.93 -0.21 0.00 0.00 178.00 180.19 1xrl h GLU 191 N 0.75 0.63 0.04 1.05 3.07 -1.91 0.12 114.58 118.33 1xrl h GLU 191 Ca 0.54 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1xrl h GLU 191 Cb 0.80 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1xrl h GLU 191 CO -0.37 0.42 -0.02 0.28 -1.40 0.00 0.00 179.01 177.92 1xrl h VAL 192 N 0.65 1.27 -0.49 3.13 2.07 -1.59 -2.50 116.25 118.77 1xrl h VAL 192 Ca 0.40 -1.02 0.09 0.00 0.82 0.00 0.00 66.70 66.99 1xrl h VAL 192 Cb 0.48 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1xrl h VAL 192 CO -0.30 0.26 0.34 -0.07 0.02 0.00 0.00 177.57 177.81 1xrl h LEU 193 N -0.51 0.27 -0.25 2.57 3.38 -1.01 -0.57 115.31 119.19 1xrl h LEU 193 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1xrl h LEU 193 Cb 0.46 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1xrl h LEU 193 CO 0.01 0.17 -0.17 0.50 0.09 0.00 0.00 178.44 179.04 1xrl h LYS 194 N 0.30 0.56 -0.53 1.13 3.64 -0.67 -0.08 116.57 120.93 1xrl h LYS 194 Ca 0.23 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1xrl h LYS 194 Cb 0.50 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1xrl h LYS 194 CO -0.05 0.84 0.09 0.77 -2.27 0.00 0.00 179.45 178.83 1xrl h SER 195 N 0.27 0.77 -0.65 4.20 0.02 -0.88 -0.19 113.55 117.10 1xrl h SER 195 Ca 0.05 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.77 1xrl h SER 195 Cb 0.70 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1xrl h SER 195 CO 0.05 0.78 0.09 -0.07 -1.14 0.00 0.00 176.83 176.53 1xrl h LEU 196 N 0.79 1.06 -0.40 5.07 3.38 -0.89 -1.08 115.31 123.23 1xrl h LEU 196 Ca 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1xrl h LEU 196 Cb 0.34 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1xrl h LEU 196 CO 0.00 1.06 0.20 -0.08 0.09 0.00 0.00 178.44 179.71 1xrl h GLU 197 N 1.02 0.57 -0.77 1.13 4.57 -0.45 -2.24 114.58 118.42 1xrl h GLU 197 Ca 0.20 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1xrl h GLU 197 Cb 0.46 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.91 1xrl h GLU 197 CO 0.02 0.49 0.48 1.88 -1.18 0.00 0.00 179.01 180.69 1xrl h TYR 198 N 0.51 1.00 -0.68 0.92 0.05 -0.68 -0.50 116.97 117.59 1xrl h TYR 198 Ca 0.14 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 1xrl h TYR 198 Cb 0.10 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.48 1xrl h TYR 198 CO -0.02 0.66 0.29 0.00 -1.05 0.00 0.00 178.16 178.05 1xrl h ALA 199 N 1.47 0.88 0.00 3.88 0.00 -0.76 -1.66 119.26 123.06 1xrl h ALA 199 Ca 0.28 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1xrl h ALA 199 Cb -0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1xrl h ALA 199 CO -0.05 0.48 -0.65 0.93 0.00 0.00 0.00 179.25 179.95 1xrl h GLU 200 N 0.96 0.00 0.08 0.00 5.08 -0.87 -3.31 114.58 116.51 1xrl h GLU 200 Ca 0.23 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.33 1xrl h GLU 200 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1xrl h GLU 200 CO -0.02 0.65 -1.22 0.00 -1.00 0.00 0.00 179.01 177.42 1xrl h ARG 201 N 0.00 0.17 0.00 2.33 2.47 -0.87 -3.47 114.38 115.01 1xrl h ARG 201 Ca -0.01 -0.30 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 1xrl h ARG 201 Cb 1.18 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 1xrl h ARG 201 CO 0.09 1.11 0.00 0.54 0.56 0.00 0.00 179.97 182.27 1xrl n ARG 202 N -3.45 0.56 -0.00 0.04 5.12 -0.65 -5.05 116.66 113.24 1xrl n ARG 202 Ca -0.07 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.88 1xrl n ARG 202 Cb 1.00 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 32.26 1xrl n ARG 202 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xrl n ASN 203 N -2.57 0.96 -0.07 0.55 3.02 -1.26 -4.73 115.26 111.17 1xrl n ASN 203 Ca 0.00 -0.53 -0.10 0.00 -0.03 0.00 0.00 54.58 53.93 1xrl n ASN 203 Cb 0.00 1.07 -0.03 0.00 -0.61 0.00 0.00 39.78 40.21 1xrl n ASN 203 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1xrl h VAL 204 N 0.00 1.10 -0.00 2.41 2.07 -1.88 -1.99 116.25 117.95 1xrl h VAL 204 Ca 0.00 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1xrl h VAL 204 Cb 0.20 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1xrl h VAL 204 CO 0.00 0.10 -0.06 0.15 0.02 0.00 0.00 177.57 177.77 1xrl h PHE 205 N 0.31 -0.16 -0.73 1.57 3.57 -1.75 0.25 116.94 120.00 1xrl h PHE 205 Ca 0.09 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1xrl h PHE 205 Cb 0.02 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 1xrl h PHE 205 CO -0.04 -0.10 0.45 -0.09 -2.23 0.00 0.00 178.31 176.29 1xrl h ARG 206 N -0.11 0.83 0.02 1.11 2.43 -1.72 0.14 114.38 117.08 1xrl h ARG 206 Ca 0.03 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1xrl h ARG 206 Cb 0.15 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1xrl h ARG 206 CO -0.07 0.55 -0.12 0.82 -1.51 0.00 0.00 179.97 179.64 1xrl h ILE 207 N 0.86 1.76 0.09 1.20 2.04 -1.17 -3.30 117.51 118.99 1xrl h ILE 207 Ca 0.31 -2.38 -0.26 0.00 1.00 0.00 0.00 64.86 63.52 1xrl h ILE 207 Cb 0.08 3.37 -0.01 0.00 -0.74 0.00 0.00 36.82 39.52 1xrl h ILE 207 CO -0.14 0.63 -1.22 0.24 0.00 0.00 0.00 178.15 177.66 1xrl h MET 208 N -0.91 0.20 0.00 2.37 2.86 -0.54 -2.33 114.93 116.58 1xrl h MET 208 Ca -0.02 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1xrl h MET 208 Cb 1.10 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1xrl h MET 208 CO 0.02 1.14 -0.08 -1.71 1.06 0.00 0.00 176.91 177.35 1xrl n ASN 209 N -3.47 0.18 0.00 1.22 2.85 0.31 -1.87 115.26 114.48 1xrl n ASN 209 Ca -0.07 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1xrl n ASN 209 Cb 1.01 -0.40 0.00 0.00 1.24 0.00 0.00 39.78 41.62 1xrl n ASN 209 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xrl n GLY 210 N 1.99 0.13 0.31 8.20 0.00 -0.23 0.38 105.19 115.97 1xrl n GLY 210 Ca -0.01 -1.62 0.03 0.00 0.00 0.00 0.00 46.02 44.42 1xrl n GLY 210 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xrl h PRO 211 N 3.39 0.79 0.00 1.61 0.11 -1.85 -3.38 132.00 132.67 1xrl h PRO 211 Ca 0.00 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1xrl h PRO 211 Cb 0.00 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.92 1xrl h PRO 211 CO 0.00 0.52 0.02 0.27 -0.21 0.00 0.00 178.00 178.60 1xrl n ASN 212 N -4.73 -0.49 -0.26 -2.05 0.23 -1.26 -5.03 115.26 101.68 1xrl n ASN 212 Ca 0.14 -1.46 0.07 0.00 -0.53 0.00 0.00 54.58 52.79 1xrl n ASN 212 Cb 0.27 0.85 0.31 0.00 -2.08 0.00 0.00 39.78 39.13 1xrl n ASN 212 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1xrl h GLU 213 N 0.00 0.83 -0.43 -3.83 4.39 -1.97 -3.01 114.58 110.56 1xrl h GLU 213 Ca -0.08 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1xrl h GLU 213 Cb 0.32 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1xrl h GLU 213 CO 0.11 0.55 0.00 1.97 -1.16 0.00 0.00 179.01 180.48 1xrl n PHE 214 N -4.51 0.65 -3.89 4.33 1.16 -1.26 -4.79 117.46 109.16 1xrl n PHE 214 Ca 0.14 -0.53 -0.30 0.00 -1.87 0.00 0.00 57.45 54.89 1xrl n PHE 214 Cb 0.28 -0.05 -0.14 0.00 -1.61 0.00 0.00 39.48 37.96 1xrl n PHE 214 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1xrl s THR 215 N -1.17 2.30 -0.49 1.97 2.01 -1.14 -4.97 115.64 114.16 1xrl s THR 215 Ca 0.31 -3.19 -0.15 0.00 0.31 0.00 0.00 61.69 58.97 1xrl s THR 215 Cb 0.17 -2.60 0.09 0.00 0.01 0.00 0.00 72.50 70.18 1xrl s THR 215 CO 0.19 -0.84 0.41 -0.51 -0.69 0.00 0.00 174.62 173.18 1xrl s ILE 216 N -0.21 5.05 -0.48 1.82 2.07 -1.26 -3.43 121.20 124.76 1xrl s ILE 216 Ca 0.18 -1.27 0.04 0.00 -1.41 0.00 0.00 60.65 58.19 1xrl s ILE 216 Cb -0.24 -4.10 0.02 0.00 0.13 0.00 0.00 42.46 38.27 1xrl s ILE 216 CO -0.01 -0.66 0.56 0.35 -1.91 0.00 0.00 174.94 173.26 1xrl n THR 217 N 5.17 0.00 -0.95 4.00 -2.24 -0.55 -4.80 114.28 114.90 1xrl n THR 217 Ca -0.12 -0.48 -0.19 0.00 -2.27 0.00 0.00 64.05 60.98 1xrl n THR 217 Cb 0.42 1.08 0.16 0.00 -2.10 0.00 0.00 70.33 69.88 1xrl n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xrl n GLY 218 N 0.39 -2.48 0.00 3.38 0.00 0.16 -4.90 105.19 101.75 1xrl n GLY 218 Ca 0.02 -1.51 0.06 0.00 0.00 0.00 0.00 46.02 44.60 1xrl n GLY 218 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xrl n THR 219 N -3.89 0.61 0.85 2.61 -2.24 -0.78 -2.37 114.28 109.06 1xrl n THR 219 Ca 0.10 0.15 0.11 0.00 -2.27 0.00 0.00 64.05 62.14 1xrl n THR 219 Cb 0.37 -0.94 0.11 0.00 -2.10 0.00 0.00 70.33 67.77 1xrl n THR 219 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1xrl n ILE 220 N -1.26 0.07 -0.01 2.28 -5.35 -0.92 -4.61 119.36 109.56 1xrl n ILE 220 Ca 0.06 -0.53 0.23 0.00 -0.27 0.00 0.00 62.75 62.24 1xrl n ILE 220 Cb 0.10 1.40 0.69 0.00 -1.74 0.00 0.00 39.64 40.09 1xrl n ILE 220 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1xrl h LYS 221 N 4.39 0.00 -0.04 6.28 2.10 -1.72 -0.65 116.57 126.93 1xrl h LYS 221 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xrl h LYS 221 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1xrl h LYS 221 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1xrl n ASP 222 N -3.70 1.98 -4.70 7.07 10.43 -1.26 -3.87 116.55 122.50 1xrl n ASP 222 Ca 0.12 -1.49 -0.42 0.00 2.57 0.00 0.00 54.79 55.57 1xrl n ASP 222 Cb 0.85 -0.02 -0.03 0.00 1.84 0.00 0.00 41.12 43.76 1xrl n ASP 222 CO 0.00 0.00 0.00 1.87 -1.07 0.00 0.00 177.20 178.00 1xrl n TRP 223 N 0.59 2.67 -3.39 1.24 -0.00 -0.25 -4.83 117.44 113.47 1xrl n TRP 223 Ca 0.07 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.50 57.44 1xrl n TRP 223 Cb 0.28 -2.73 -0.04 0.00 -0.00 0.00 0.00 31.31 28.83 1xrl n TRP 223 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1xrl s ASP 224 N 2.40 -0.97 -0.16 5.87 3.68 -1.26 -1.05 116.67 125.17 1xrl s ASP 224 Ca 0.80 1.02 0.14 0.00 2.13 0.00 0.00 52.55 56.65 1xrl s ASP 224 Cb -0.48 1.98 0.37 0.00 -1.45 0.00 0.00 42.92 43.35 1xrl s ASP 224 CO 0.36 -0.25 1.19 2.30 0.13 0.00 0.00 175.17 178.90 1xrl n ILE 225 N 5.42 1.86 -0.32 4.11 -6.64 -0.08 -4.81 119.36 118.91 1xrl n ILE 225 Ca -0.06 -2.68 0.10 0.00 -1.77 0.00 0.00 62.75 58.35 1xrl n ILE 225 Cb 0.50 -0.11 0.31 0.00 -1.44 0.00 0.00 39.64 38.90 1xrl n ILE 225 CO 0.00 0.00 0.00 0.74 -1.77 0.00 0.00 176.55 175.52 1xrl h THR 226 N 1.42 0.85 0.00 7.28 2.02 -1.94 0.12 112.91 122.67 1xrl h THR 226 Ca -0.02 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1xrl h THR 226 Cb 1.09 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1xrl h THR 226 CO 0.01 0.15 0.00 -0.90 0.37 0.00 0.00 175.52 175.15 1xrl n ASP 227 N -4.62 0.00 -0.01 4.18 5.75 -1.26 -3.43 116.55 117.16 1xrl n ASP 227 Ca 0.19 -1.19 0.01 0.00 -0.01 0.00 0.00 54.79 53.79 1xrl n ASP 227 Cb 0.43 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.48 1xrl n ASP 227 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xrl n LYS 228 N -0.81 1.21 0.28 0.11 4.76 0.00 -4.71 118.16 119.00 1xrl n LYS 228 Ca 0.13 -0.04 0.17 0.00 -2.87 0.00 0.00 58.31 55.70 1xrl n LYS 228 Cb 0.06 -1.15 0.77 0.00 -1.84 0.00 0.00 35.03 32.87 1xrl n LYS 228 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1xrl h ILE 229 N 0.00 0.11 0.00 -0.18 3.07 -1.52 -2.62 117.51 116.38 1xrl h ILE 229 Ca -0.06 -0.48 0.00 0.00 1.55 0.00 0.00 64.86 65.87 1xrl h ILE 229 Cb 0.68 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 1xrl h ILE 229 CO 0.00 0.03 0.00 -1.54 -1.05 0.00 0.00 178.15 175.60 1xrl n SER 230 N -3.18 0.41 0.13 2.16 3.41 -1.26 -0.94 113.62 114.35 1xrl n SER 230 Ca -0.00 0.68 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 1xrl n SER 230 Cb 0.27 -0.74 0.45 0.00 -0.26 0.00 0.00 64.21 63.93 1xrl n SER 230 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xrl n ALA 231 N -1.70 1.95 -2.48 7.33 0.00 -0.99 -4.70 120.51 119.91 1xrl n ALA 231 Ca -0.01 0.04 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 1xrl n ALA 231 Cb 0.04 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.03 1xrl n ALA 231 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xrl s ILE 232 N -3.23 4.36 -0.74 0.00 1.09 -0.12 -4.88 121.20 117.69 1xrl s ILE 232 Ca 0.07 1.65 0.06 0.00 -1.10 0.00 0.00 60.65 61.33 1xrl s ILE 232 Cb 0.11 -4.07 0.05 0.00 -1.06 0.00 0.00 42.46 37.49 1xrl s ILE 232 CO 0.49 -0.09 0.69 0.29 -0.10 0.00 0.00 174.94 176.22 1xrl n LYS 233 N 6.05 -0.15 -2.45 2.79 4.01 -1.26 -4.43 118.16 122.73 1xrl n LYS 233 Ca 0.12 -0.86 -0.29 0.00 -0.51 0.00 0.00 58.31 56.77 1xrl n LYS 233 Cb 0.46 -1.11 -0.01 0.00 -0.51 0.00 0.00 35.03 33.86 1xrl n LYS 233 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1xrl s ILE 234 N -0.50 4.80 0.12 -0.18 -5.25 -1.26 -4.98 121.20 113.96 1xrl s ILE 234 Ca 0.07 0.54 -0.35 0.00 -0.99 0.00 0.00 60.65 59.92 1xrl s ILE 234 Cb 0.05 -3.83 -0.16 0.00 2.95 0.00 0.00 42.46 41.47 1xrl s ILE 234 CO 0.07 -0.86 1.42 -2.65 -1.79 0.00 0.00 174.94 171.14 1xrl n PRO 235 N -2.16 1.54 -4.34 0.37 -0.02 -1.26 -4.78 135.00 124.35 1xrl n PRO 235 Ca 0.03 0.55 -0.19 0.00 -2.02 0.00 0.00 63.50 61.87 1xrl n PRO 235 Cb 0.54 -2.24 -0.15 0.00 -0.02 0.00 0.00 33.50 31.63 1xrl n PRO 235 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xrl s THR 236 N 0.61 0.70 -0.20 3.45 2.01 -1.26 -0.62 115.64 120.34 1xrl s THR 236 Ca 0.82 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.50 1xrl s THR 236 Cb -0.84 -0.62 0.03 0.00 0.01 0.00 0.00 72.50 71.08 1xrl s THR 236 CO 0.44 0.22 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.19 1xrl s LEU 237 N 0.12 2.45 -0.20 4.42 2.96 0.46 -0.69 118.68 128.19 1xrl s LEU 237 Ca -0.02 -0.83 -0.04 0.00 -0.22 0.00 0.00 54.13 53.03 1xrl s LEU 237 Cb -0.07 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 1xrl s LEU 237 CO 0.00 -0.05 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.32 1xrl s ILE 238 N 1.25 3.50 0.20 6.68 -1.09 0.20 -0.80 121.20 131.14 1xrl s ILE 238 Ca 0.02 -0.46 0.11 0.00 -2.23 0.00 0.00 60.65 58.09 1xrl s ILE 238 Cb -0.15 -2.58 -0.04 0.00 -1.58 0.00 0.00 42.46 38.11 1xrl s ILE 238 CO -0.11 0.44 -0.22 0.42 -1.23 0.00 0.00 174.94 174.24 1xrl s THR 239 N 1.20 2.48 -0.13 2.92 -4.23 0.06 -0.61 115.64 117.33 1xrl s THR 239 Ca 0.03 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.22 1xrl s THR 239 Cb -0.14 -2.20 0.09 0.00 1.34 0.00 0.00 72.50 71.59 1xrl s THR 239 CO -0.01 -0.14 0.82 0.54 -0.54 0.00 0.00 174.62 175.29 1xrl s VAL 240 N -1.75 0.00 0.40 2.29 0.11 -0.73 -1.44 120.40 119.27 1xrl s VAL 240 Ca 0.22 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.18 1xrl s VAL 240 Cb -0.08 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.71 1xrl s VAL 240 CO 0.11 0.00 0.75 -0.83 -3.33 0.00 0.00 175.10 171.80 1xrl s GLY 241 N -0.87 1.87 0.15 6.54 0.00 -0.99 -0.09 107.32 113.93 1xrl s GLY 241 Ca -0.05 -0.28 -0.17 0.00 0.00 0.00 0.00 44.72 44.22 1xrl s GLY 241 CO 0.05 -0.10 1.75 -2.09 0.00 0.00 0.00 173.10 172.70 1xrl h GLU 242 N 1.15 0.24 -0.73 2.90 4.81 0.35 -2.45 114.58 120.85 1xrl h GLU 242 Ca -0.47 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 58.54 1xrl h GLU 242 Cb 1.19 -0.05 -0.12 0.00 0.63 0.00 0.00 28.75 30.40 1xrl h GLU 242 CO 0.64 0.16 0.25 0.66 -0.73 0.00 0.00 179.01 179.99 1xrl n TYR 243 N -5.03 2.45 -1.71 0.92 4.01 0.12 -4.80 117.16 113.11 1xrl n TYR 243 Ca 0.01 -1.17 -0.43 0.00 -0.16 0.00 0.00 57.90 56.14 1xrl n TYR 243 Cb 0.13 -0.68 -0.03 0.00 -0.31 0.00 0.00 39.34 38.45 1xrl n TYR 243 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1xrl n ASP 244 N -0.09 3.51 0.28 7.72 4.64 -0.92 -4.13 116.55 127.55 1xrl n ASP 244 Ca 0.40 1.11 0.12 0.00 -1.38 0.00 0.00 54.79 55.04 1xrl n ASP 244 Cb 1.38 -1.52 0.77 0.00 -1.04 0.00 0.00 41.12 40.72 1xrl n ASP 244 CO 0.00 0.00 0.00 1.05 -0.82 0.00 0.00 177.20 177.43 1xrl h GLU 245 N 5.47 0.00 -3.51 -0.67 4.11 -1.59 -2.65 114.58 115.74 1xrl h GLU 245 Ca -0.45 0.00 -0.73 0.00 0.07 0.00 0.00 59.36 58.25 1xrl h GLU 245 Cb 1.23 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.16 1xrl h GLU 245 CO 0.85 0.03 -0.03 0.08 0.07 0.00 0.00 179.01 180.01 1xrl s VAL 246 N -4.70 4.71 0.80 -1.06 1.01 -1.26 -4.45 120.40 115.44 1xrl s VAL 246 Ca -0.05 -3.33 -0.16 0.00 0.00 0.00 0.00 61.98 58.44 1xrl s VAL 246 Cb 0.15 -3.92 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 1xrl s VAL 246 CO 0.60 -1.04 0.05 0.35 0.00 0.00 0.00 175.10 175.06 1xrl n THR 247 N 2.96 0.69 0.29 3.92 -2.24 -1.00 -4.75 114.28 114.15 1xrl n THR 247 Ca 0.17 -0.40 0.19 0.00 -2.27 0.00 0.00 64.05 61.74 1xrl n THR 247 Cb 0.39 -0.40 1.01 0.00 -2.10 0.00 0.00 70.33 69.24 1xrl n THR 247 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1xrl h PRO 248 N -0.69 0.00 -0.64 -0.78 0.13 -1.85 0.04 132.00 128.21 1xrl h PRO 248 Ca -0.44 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 1xrl h PRO 248 Cb 1.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 1xrl h PRO 248 CO 0.36 0.00 0.11 -0.91 -0.23 0.00 0.00 178.00 177.33 1xrl h ASN 249 N 0.00 0.99 -0.29 1.44 -0.26 -1.98 0.41 115.58 115.90 1xrl h ASN 249 Ca 0.00 -0.23 -0.13 0.00 -0.56 0.00 0.00 56.30 55.39 1xrl h ASN 249 Cb 0.04 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.03 1xrl h ASN 249 CO 0.00 0.99 -0.28 0.58 -1.06 0.00 0.00 177.43 177.66 1xrl h VAL 250 N 0.98 1.28 -0.48 2.81 2.07 -1.30 -2.58 116.25 119.02 1xrl h VAL 250 Ca 0.20 -1.42 -0.11 0.00 0.82 0.00 0.00 66.70 66.18 1xrl h VAL 250 Cb 0.42 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1xrl h VAL 250 CO 0.01 0.47 -0.15 0.00 0.02 0.00 0.00 177.57 177.92 1xrl h ALA 251 N 1.00 0.82 -0.71 1.67 0.00 -1.19 -2.84 119.26 118.01 1xrl h ALA 251 Ca 0.08 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 54.70 1xrl h ALA 251 Cb 0.81 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1xrl h ALA 251 CO 0.07 0.65 0.40 -0.09 0.00 0.00 0.00 179.25 180.28 1xrl h ARG 252 N 0.82 0.71 -0.73 0.00 2.43 0.02 0.04 114.38 117.67 1xrl h ARG 252 Ca 0.12 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.33 1xrl h ARG 252 Cb 0.69 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.02 1xrl h ARG 252 CO 0.05 0.47 0.39 0.28 -1.51 0.00 0.00 179.97 179.66 1xrl h VAL 253 N 0.73 0.90 0.08 0.20 2.07 -1.22 0.57 116.25 119.58 1xrl h VAL 253 Ca 0.32 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1xrl h VAL 253 Cb 0.20 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1xrl h VAL 253 CO -0.19 0.12 -0.04 0.40 0.02 0.00 0.00 177.57 177.89 1xrl h ILE 254 N 0.68 1.11 -0.71 4.57 2.04 -1.20 -3.17 117.51 120.82 1xrl h ILE 254 Ca 0.35 -0.68 0.16 0.00 1.00 0.00 0.00 64.86 65.68 1xrl h ILE 254 Cb 0.31 1.55 -0.11 0.00 -0.74 0.00 0.00 36.82 37.82 1xrl h ILE 254 CO -0.24 0.17 0.10 -0.74 0.00 0.00 0.00 178.15 177.44 1xrl h HIS 255 N -0.42 0.13 -0.33 1.37 2.76 -0.34 -2.07 115.15 116.25 1xrl h HIS 255 Ca -0.01 0.05 0.06 0.00 -2.20 0.00 0.00 60.37 58.26 1xrl h HIS 255 Cb 0.36 0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.32 1xrl h HIS 255 CO 0.03 -0.14 0.01 0.93 -1.30 0.00 0.00 177.93 177.46 1xrl h GLU 256 N 0.20 0.11 -0.44 5.26 5.08 -0.90 -3.17 114.58 120.71 1xrl h GLU 256 Ca 0.39 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.65 1xrl h GLU 256 Cb 0.67 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1xrl h GLU 256 CO -0.54 0.07 -0.11 0.87 -1.00 0.00 0.00 179.01 178.29 1xrl h LYS 257 N 0.11 0.86 -5.82 2.33 6.56 -1.37 -3.40 116.57 115.84 1xrl h LYS 257 Ca 0.16 -0.33 -0.59 0.00 -1.06 0.00 0.00 60.65 58.83 1xrl h LYS 257 Cb 0.21 -0.05 -0.12 0.00 -0.57 0.00 0.00 32.23 31.71 1xrl h LYS 257 CO -0.26 0.97 0.76 0.42 -2.06 0.00 0.00 179.45 179.28 1xrl s ILE 258 N -4.79 4.08 0.31 1.86 1.09 -0.96 -4.14 121.20 118.65 1xrl s ILE 258 Ca -0.12 -0.05 -0.29 0.00 -1.10 0.00 0.00 60.65 59.09 1xrl s ILE 258 Cb 0.11 -4.78 -0.12 0.00 -1.06 0.00 0.00 42.46 36.61 1xrl s ILE 258 CO 0.83 -1.62 1.42 0.00 -0.10 0.00 0.00 174.94 175.47 1xrl n ALA 259 N 8.39 1.72 -0.95 9.38 0.00 -1.26 -1.65 120.51 136.13 1xrl n ALA 259 Ca -0.01 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1xrl n ALA 259 Cb 0.47 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1xrl n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xrl n GLY 260 N 1.39 0.53 3.83 0.00 0.00 -1.26 -4.92 105.19 104.76 1xrl n GLY 260 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1xrl n GLY 260 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xrl s SER 261 N -2.30 5.73 -0.02 1.61 1.04 -0.66 -4.62 113.70 114.49 1xrl s SER 261 Ca 0.00 1.61 0.02 0.00 0.48 0.00 0.00 55.95 58.06 1xrl s SER 261 Cb 0.00 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 1xrl s SER 261 CO 0.00 -1.21 -0.05 -1.61 0.98 0.00 0.00 173.24 171.36 1xrl s GLU 262 N -4.80 2.68 -0.10 4.02 2.02 0.14 -5.00 118.70 117.66 1xrl s GLU 262 Ca 0.59 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.95 1xrl s GLU 262 Cb -0.13 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.53 1xrl s GLU 262 CO 0.49 0.63 -0.12 -1.17 0.02 0.00 0.00 175.26 175.11 1xrl s LEU 263 N -1.29 1.53 -0.10 1.80 2.96 -1.26 0.59 118.68 122.92 1xrl s LEU 263 Ca 0.16 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 1xrl s LEU 263 Cb -0.11 -0.96 0.02 0.00 0.50 0.00 0.00 46.19 45.64 1xrl s LEU 263 CO 0.06 -0.03 -0.08 -2.28 -1.32 0.00 0.00 176.35 172.71 1xrl s HIS 264 N 1.19 1.39 -0.32 5.38 5.65 0.22 -4.98 115.29 123.83 1xrl s HIS 264 Ca -0.03 -0.64 -0.11 0.00 0.25 0.00 0.00 55.06 54.52 1xrl s HIS 264 Cb -0.14 -1.15 -0.02 0.00 -1.18 0.00 0.00 32.58 30.09 1xrl s HIS 264 CO -0.04 -0.45 0.20 0.08 -0.65 0.00 0.00 174.74 173.89 1xrl s VAL 265 N 1.52 5.09 -0.36 0.89 1.01 -1.26 -1.78 120.40 125.51 1xrl s VAL 265 Ca 0.01 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 1xrl s VAL 265 Cb -0.13 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1xrl s VAL 265 CO -0.06 0.08 1.20 -0.36 0.00 0.00 0.00 175.10 175.97 1xrl s PHE 266 N 1.70 2.82 0.50 5.22 0.40 0.87 -4.84 117.98 124.65 1xrl s PHE 266 Ca 0.06 0.90 -0.22 0.00 -0.60 0.00 0.00 56.93 57.08 1xrl s PHE 266 Cb -0.17 -4.03 -0.07 0.00 0.51 0.00 0.00 43.02 39.27 1xrl s PHE 266 CO 0.09 -1.35 1.17 1.03 0.70 0.00 0.00 175.22 176.87 1xrl s ARG 267 N 4.18 3.56 -0.06 0.44 1.81 -1.26 -0.75 118.95 126.86 1xrl s ARG 267 Ca 0.51 1.78 0.00 0.00 -1.72 0.00 0.00 55.73 56.30 1xrl s ARG 267 Cb -0.12 -2.27 0.00 0.00 -0.45 0.00 0.00 34.95 32.11 1xrl s ARG 267 CO 0.24 -0.72 0.00 -0.25 -0.68 0.00 0.00 175.30 173.89 1xrl n ASP 268 N -0.80 -5.62 -4.63 0.23 10.43 -1.26 -4.86 116.55 110.04 1xrl n ASP 268 Ca 0.09 0.01 -0.25 0.00 2.57 0.00 0.00 54.79 57.21 1xrl n ASP 268 Cb 0.49 -3.17 -0.09 0.00 1.84 0.00 0.00 41.12 40.18 1xrl n ASP 268 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xrl n SER 270 N -0.97 0.00 -0.09 0.00 3.41 -1.26 -0.71 113.62 114.00 1xrl n SER 270 Ca -0.04 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.40 1xrl n SER 270 Cb 0.63 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.47 1xrl n SER 270 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1xrl h HIS 271 N 0.00 0.00 -0.87 7.33 2.76 -1.44 -2.63 115.15 120.29 1xrl h HIS 271 Ca 0.00 0.00 -0.73 0.00 -2.20 0.00 0.00 60.37 57.44 1xrl h HIS 271 Cb 0.00 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 28.87 1xrl h HIS 271 CO 0.00 1.19 2.74 1.28 -1.30 0.00 0.00 177.93 181.83 1xrl n LEU 272 N -4.51 8.04 0.31 0.26 4.77 -0.38 -4.71 117.00 120.79 1xrl n LEU 272 Ca -0.22 -4.72 0.20 0.00 -0.03 0.00 0.00 56.01 51.23 1xrl n LEU 272 Cb 0.57 -1.43 1.07 0.00 -2.33 0.00 0.00 43.42 41.29 1xrl n LEU 272 CO 0.22 1.97 1.16 0.71 -1.33 0.00 0.00 177.39 180.12 1xrl h THR 273 N 2.86 0.17 0.00 -5.08 1.35 -1.87 -1.50 112.91 108.83 1xrl h THR 273 Ca 0.71 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.57 1xrl h THR 273 Cb 0.34 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1xrl h THR 273 CO 1.58 0.00 -0.01 0.24 -0.25 0.00 0.00 175.52 177.08 1xrl h MET 274 N 0.00 0.00 0.00 4.72 2.86 -1.86 -1.82 114.93 118.83 1xrl h MET 274 Ca 0.01 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.43 1xrl h MET 274 Cb 0.14 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 1xrl h MET 274 CO -0.00 0.01 -1.83 0.91 1.06 0.00 0.00 176.91 177.06 1xrl n TRP 275 N -3.15 0.00 0.11 -0.22 7.02 -0.59 -3.48 117.44 117.13 1xrl n TRP 275 Ca -0.02 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.45 1xrl n TRP 275 Cb 0.16 -0.59 0.26 0.00 -2.42 0.00 0.00 31.31 28.72 1xrl n TRP 275 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1xrl h GLU 276 N 0.00 0.19 -1.48 -0.99 5.08 -1.42 -3.32 114.58 112.64 1xrl h GLU 276 Ca -0.33 -0.08 -0.44 0.00 -1.00 0.00 0.00 59.36 57.51 1xrl h GLU 276 Cb 1.65 -0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.57 1xrl h GLU 276 CO -0.01 0.56 -0.99 -3.47 -1.00 0.00 0.00 179.01 174.10 1xrl n ASP 277 N -4.04 -0.20 -0.11 1.42 2.03 -0.69 -5.01 116.55 109.95 1xrl n ASP 277 Ca -0.01 -3.08 -0.06 0.00 0.52 0.00 0.00 54.79 52.16 1xrl n ASP 277 Cb 0.46 0.03 0.01 0.00 -0.72 0.00 0.00 41.12 40.89 1xrl n ASP 277 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1xrl h ARG 278 N 3.33 -0.11 -0.40 -0.67 2.43 -1.66 0.36 114.38 117.65 1xrl h ARG 278 Ca 0.04 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1xrl h ARG 278 Cb 0.98 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 1xrl h ARG 278 CO 0.41 -0.07 0.12 1.49 -1.51 0.00 0.00 179.97 180.41 1xrl h GLU 279 N -0.11 0.63 -0.34 0.20 4.81 -1.93 -0.27 114.58 117.56 1xrl h GLU 279 Ca 0.19 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1xrl h GLU 279 Cb 0.40 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1xrl h GLU 279 CO -0.45 0.63 0.03 0.78 -0.73 0.00 0.00 179.01 179.28 1xrl h GLY 280 N 0.51 0.63 0.86 1.92 0.00 -1.87 -0.35 103.07 104.77 1xrl h GLY 280 Ca 0.13 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1xrl h GLY 280 CO -0.00 0.41 -0.02 -1.82 0.00 0.00 0.00 176.54 175.10 1xrl h TYR 281 N 0.41 -0.06 -0.58 5.60 3.20 -0.23 -1.11 116.97 124.19 1xrl h TYR 281 Ca 0.10 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 1xrl h TYR 281 Cb 0.40 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1xrl h TYR 281 CO 0.03 0.09 0.19 -0.91 -1.64 0.00 0.00 178.16 175.92 1xrl h ASN 282 N -0.21 0.79 -0.35 -2.11 -0.26 -1.02 -2.17 115.58 110.26 1xrl h ASN 282 Ca -0.01 -0.12 -0.02 0.00 -0.56 0.00 0.00 56.30 55.59 1xrl h ASN 282 Cb 0.18 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 1xrl h ASN 282 CO 0.01 0.75 0.14 0.50 -1.06 0.00 0.00 177.43 177.77 1xrl h LYS 283 N 0.84 0.52 0.34 0.81 3.64 -0.88 0.64 116.57 122.47 1xrl h LYS 283 Ca 0.19 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1xrl h LYS 283 Cb 0.23 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1xrl h LYS 283 CO -0.01 0.50 -0.18 1.25 -2.27 0.00 0.00 179.45 178.74 1xrl h LEU 284 N 0.42 -0.44 -0.55 5.20 5.85 -0.87 -0.23 115.31 124.69 1xrl h LEU 284 Ca 0.12 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1xrl h LEU 284 Cb 0.17 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1xrl h LEU 284 CO -0.01 -0.30 0.33 -0.07 -0.34 0.00 0.00 178.44 178.05 1xrl h LEU 285 N -0.48 0.67 -0.50 2.25 4.07 -1.36 -1.42 115.31 118.54 1xrl h LEU 285 Ca -0.04 -0.06 0.04 0.00 0.08 0.00 0.00 57.88 57.90 1xrl h LEU 285 Cb 0.38 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.91 1xrl h LEU 285 CO 0.06 0.53 0.25 -1.28 -1.08 0.00 0.00 178.44 176.92 1xrl h SER 286 N 0.75 0.36 -0.48 -0.43 0.87 -0.66 0.76 113.55 114.72 1xrl h SER 286 Ca 0.20 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.73 1xrl h SER 286 Cb -0.01 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1xrl h SER 286 CO -0.04 0.25 0.08 0.44 -0.53 0.00 0.00 176.83 177.03 1xrl h ASP 287 N 0.49 0.75 -0.03 6.23 3.32 -0.80 -0.91 116.42 125.47 1xrl h ASP 287 Ca 0.22 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 57.03 1xrl h ASP 287 Cb 0.13 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1xrl h ASP 287 CO -0.15 0.82 -0.09 0.15 -1.72 0.00 0.00 179.24 178.25 1xrl h PHE 288 N 0.66 -0.22 0.23 4.55 3.57 -0.78 -1.25 116.94 123.70 1xrl h PHE 288 Ca 0.15 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1xrl h PHE 288 Cb 0.38 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1xrl h PHE 288 CO 0.03 -0.14 -0.15 0.82 -2.23 0.00 0.00 178.31 176.64 1xrl h ILE 289 N -0.14 0.68 0.00 1.41 1.08 -0.75 -2.68 117.51 117.11 1xrl h ILE 289 Ca 0.05 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 1xrl h ILE 289 Cb 0.20 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 1xrl h ILE 289 CO -0.12 0.00 0.00 -0.07 -0.69 0.00 0.00 178.15 177.27 1xrl h LEU 290 N -0.37 0.00 -2.31 1.44 4.07 -1.05 -1.65 115.31 115.43 1xrl h LEU 290 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1xrl h LEU 290 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1xrl h LEU 290 CO 0.02 0.00 0.00 2.29 -1.08 0.00 0.00 178.44 179.67 1xrl n LYS 291 N -2.62 2.48 -1.38 1.13 2.85 -0.48 -4.24 118.16 115.90 1xrl n LYS 291 Ca -0.01 -2.27 0.04 0.00 -1.05 0.00 0.00 58.31 55.02 1xrl n LYS 291 Cb 0.13 -1.51 0.07 0.00 -0.65 0.00 0.00 35.03 33.06 1xrl n LYS 291 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1xrl n HIS 292 N 1.40 0.15 0.76 5.58 8.25 -0.63 -5.07 115.22 125.67 1xrl n HIS 292 Ca 0.21 -0.89 0.06 0.00 -0.26 0.00 0.00 57.72 56.84 1xrl n HIS 292 Cb 0.57 -0.18 0.36 0.00 1.12 0.00 0.00 29.99 31.86 1xrl n HIS 292 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26