#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xae n GLY 7 N 0.00 0.45 3.93 -1.41 0.00 -1.26 -4.81 105.19 102.09 1xae n GLY 7 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1xae n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xae s LEU 8 N 0.00 3.37 0.10 0.99 1.43 -1.26 -4.93 118.68 118.37 1xae s LEU 8 Ca 0.00 0.58 0.10 0.00 -1.03 0.00 0.00 54.13 53.78 1xae s LEU 8 Cb 0.00 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1xae s LEU 8 CO 0.00 -0.94 -0.26 -0.54 0.23 0.00 0.00 176.35 174.84 1xae s LYS 9 N -4.85 1.60 0.26 1.70 1.02 -1.26 -5.02 119.74 113.18 1xae s LYS 9 Ca 0.52 -1.24 -0.04 0.00 0.02 0.00 0.00 55.97 55.23 1xae s LYS 9 Cb -0.10 -1.96 0.52 0.00 -0.52 0.00 0.00 37.83 35.77 1xae s LYS 9 CO 0.43 0.48 1.64 1.49 -0.92 0.00 0.00 175.35 178.46 1xae h GLU 10 N 4.22 0.13 -6.47 1.68 4.57 -1.99 -3.39 114.58 113.33 1xae h GLU 10 Ca -0.49 -0.01 -0.69 0.00 -1.18 0.00 0.00 59.36 56.99 1xae h GLU 10 Cb 1.16 -0.03 -0.23 0.00 -0.16 0.00 0.00 28.75 29.49 1xae h GLU 10 CO 0.41 0.09 -0.80 -2.00 -1.18 0.00 0.00 179.01 175.53 1xae s GLU 11 N -6.06 2.27 0.17 1.92 2.12 -1.26 -3.48 118.70 114.37 1xae s GLU 11 Ca -0.13 -0.85 -0.03 0.00 0.36 0.00 0.00 54.97 54.32 1xae s GLU 11 Cb 0.24 -2.26 0.01 0.00 0.26 0.00 0.00 34.13 32.38 1xae s GLU 11 CO 0.76 0.58 0.28 -1.33 -0.54 0.00 0.00 175.26 175.01 1xae n MET 12 N 1.97 0.40 -4.32 4.30 2.81 0.19 -4.96 117.12 117.51 1xae n MET 12 Ca -0.16 -1.23 -0.17 0.00 -1.81 0.00 0.00 57.70 54.33 1xae n MET 12 Cb 0.52 1.28 -0.10 0.00 -0.71 0.00 0.00 33.22 34.21 1xae n MET 12 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1xae s THR 13 N -2.60 1.21 -0.09 2.03 -4.23 -0.66 -1.19 115.64 110.11 1xae s THR 13 Ca 0.12 -2.07 -0.21 0.00 -1.18 0.00 0.00 61.69 58.34 1xae s THR 13 Cb -0.01 -2.20 0.05 0.00 1.34 0.00 0.00 72.50 71.68 1xae s THR 13 CO 0.08 -0.46 0.50 0.00 -0.54 0.00 0.00 174.62 174.21 1xae s MET 14 N -3.79 0.78 -0.01 3.99 0.23 -0.36 0.14 119.30 120.28 1xae s MET 14 Ca 0.25 0.27 0.08 0.00 -1.03 0.00 0.00 55.69 55.26 1xae s MET 14 Cb 0.04 0.36 -0.02 0.00 -1.53 0.00 0.00 34.83 33.68 1xae s MET 14 CO 0.07 -0.19 -0.25 0.15 -2.03 0.00 0.00 175.02 172.77 1xae s LYS 15 N -0.73 1.95 -0.03 3.16 1.02 0.10 -1.30 119.74 123.91 1xae s LYS 15 Ca -0.08 -0.93 0.07 0.00 0.02 0.00 0.00 55.97 55.05 1xae s LYS 15 Cb -0.03 -1.93 -0.01 0.00 -0.52 0.00 0.00 37.83 35.33 1xae s LYS 15 CO 0.05 0.52 -0.23 0.71 -0.92 0.00 0.00 175.35 175.49 1xae s TYR 16 N -0.63 2.08 -0.16 3.18 1.51 0.10 0.67 117.35 124.10 1xae s TYR 16 Ca 0.10 -0.46 -0.05 0.00 -1.01 0.00 0.00 57.07 55.65 1xae s TYR 16 Cb -0.10 -1.35 0.06 0.00 -0.11 0.00 0.00 41.96 40.46 1xae s TYR 16 CO -0.00 -0.08 0.08 -1.58 -1.11 0.00 0.00 175.55 172.86 1xae s HIS 17 N -0.40 0.24 -0.07 2.71 2.46 -0.59 -0.20 115.29 119.44 1xae s HIS 17 Ca 0.05 -0.31 0.05 0.00 0.47 0.00 0.00 55.06 55.32 1xae s HIS 17 Cb -0.10 -0.70 -0.01 0.00 -0.13 0.00 0.00 32.58 31.64 1xae s HIS 17 CO 0.00 -0.50 -0.23 1.41 -2.47 0.00 0.00 174.74 172.95 1xae s MET 18 N 2.12 2.56 -0.07 2.88 0.00 0.42 -2.02 119.30 125.19 1xae s MET 18 Ca 0.02 -0.85 0.05 0.00 0.00 0.00 0.00 55.69 54.91 1xae s MET 18 Cb -0.16 -2.10 -0.00 0.00 0.00 0.00 0.00 34.83 32.57 1xae s MET 18 CO -0.09 0.30 -0.23 -1.21 0.00 0.00 0.00 175.02 173.79 1xae s GLU 19 N 0.02 2.61 0.00 4.11 2.02 -1.01 -0.42 118.70 126.03 1xae s GLU 19 Ca -0.08 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.07 1xae s GLU 19 Cb -0.15 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 31.97 1xae s GLU 19 CO 0.05 0.28 0.00 0.41 0.02 0.00 0.00 175.26 176.02 1xae n GLY 20 N 3.21 3.30 3.48 -1.39 0.00 -0.58 -1.35 105.19 111.86 1xae n GLY 20 Ca -0.18 -0.54 0.03 0.00 0.00 0.00 0.00 46.02 45.33 1xae n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xae s VAL 22 N -1.49 -0.03 -1.18 1.61 1.01 -0.54 0.47 120.40 120.24 1xae s VAL 22 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 1xae s VAL 22 Cb 0.00 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.43 1xae s VAL 22 CO 0.00 0.00 0.35 0.59 0.00 0.00 0.00 175.10 176.04 1xae n ASN 23 N 3.65 -3.70 0.00 3.32 4.13 0.34 0.64 115.26 123.65 1xae n ASN 23 Ca -0.13 -0.21 0.00 0.00 1.68 0.00 0.00 54.58 55.92 1xae n ASN 23 Cb 0.56 -3.08 0.00 0.00 -1.54 0.00 0.00 39.78 35.72 1xae n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xae n GLY 24 N -1.06 1.27 3.50 7.41 0.00 -1.26 -5.01 105.19 110.04 1xae n GLY 24 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1xae n GLY 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xae s HIS 25 N -3.16 3.06 0.45 1.61 5.04 0.21 -5.04 115.29 117.46 1xae s HIS 25 Ca 0.00 -0.15 -0.22 0.00 -1.54 0.00 0.00 55.06 53.15 1xae s HIS 25 Cb 0.00 -3.37 -0.09 0.00 0.04 0.00 0.00 32.58 29.16 1xae s HIS 25 CO 0.00 -0.90 1.04 0.15 -2.34 0.00 0.00 174.74 172.69 1xae s LYS 26 N 2.79 3.96 -0.06 2.88 3.01 -1.26 -1.47 119.74 129.59 1xae s LYS 26 Ca 0.21 1.42 -0.31 0.00 -1.01 0.00 0.00 55.97 56.28 1xae s LYS 26 Cb -0.15 -2.28 0.08 0.00 -1.01 0.00 0.00 37.83 34.47 1xae s LYS 26 CO 0.18 -0.30 0.72 -0.59 0.51 0.00 0.00 175.35 175.86 1xae s PHE 27 N -1.86 -0.62 -0.07 3.18 -0.12 0.18 -4.21 117.98 114.47 1xae s PHE 27 Ca 0.63 1.03 0.03 0.00 -0.05 0.00 0.00 56.93 58.57 1xae s PHE 27 Cb -0.18 0.42 0.01 0.00 -0.63 0.00 0.00 43.02 42.63 1xae s PHE 27 CO 0.23 -0.58 -0.17 0.08 -0.05 0.00 0.00 175.22 174.73 1xae s VAL 28 N -1.30 1.45 -0.00 -2.49 1.01 0.64 -1.53 120.40 118.17 1xae s VAL 28 Ca -0.09 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1xae s VAL 28 Cb -0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 1xae s VAL 28 CO 0.08 0.42 -0.13 -0.63 0.00 0.00 0.00 175.10 174.84 1xae s ILE 29 N 0.40 1.04 -0.00 2.22 1.01 0.44 0.35 121.20 126.66 1xae s ILE 29 Ca -0.12 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 59.91 1xae s ILE 29 Cb -0.15 -0.88 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 1xae s ILE 29 CO 0.05 0.23 -0.07 0.42 0.00 0.00 0.00 174.94 175.56 1xae s THR 30 N -0.41 0.56 0.13 2.92 -4.23 -1.26 0.16 115.64 113.51 1xae s THR 30 Ca 0.04 -0.31 -0.03 0.00 -1.18 0.00 0.00 61.69 60.21 1xae s THR 30 Cb -0.06 -0.48 -0.03 0.00 1.34 0.00 0.00 72.50 73.28 1xae s THR 30 CO -0.00 0.15 0.09 -0.83 -0.54 0.00 0.00 174.62 173.50 1xae s GLY 31 N -0.18 0.85 0.05 3.99 0.00 0.72 -4.52 107.32 108.23 1xae s GLY 31 Ca 0.03 -1.33 0.05 0.00 0.00 0.00 0.00 44.72 43.46 1xae s GLY 31 CO -0.00 -1.25 -0.13 -1.83 0.00 0.00 0.00 173.10 169.88 1xae s GLU 32 N -4.02 0.84 0.21 2.90 4.04 -0.57 0.00 118.70 122.10 1xae s GLU 32 Ca 0.21 -0.82 -0.22 0.00 0.04 0.00 0.00 54.97 54.18 1xae s GLU 32 Cb 0.07 -0.84 0.05 0.00 0.02 0.00 0.00 34.13 33.43 1xae s GLU 32 CO 0.00 0.20 0.68 0.20 -1.84 0.00 0.00 175.26 174.50 1xae s GLY 33 N -1.38 -0.37 -0.07 -3.83 0.00 -0.42 -0.56 107.32 100.69 1xae s GLY 33 Ca -0.01 0.15 0.04 0.00 0.00 0.00 0.00 44.72 44.90 1xae s GLY 33 CO 0.02 0.05 -0.18 -0.42 0.00 0.00 0.00 173.10 172.57 1xae s ILE 34 N -3.78 1.54 0.17 0.90 -1.09 -1.12 -1.22 121.20 116.59 1xae s ILE 34 Ca 0.06 -0.74 -0.01 0.00 -2.23 0.00 0.00 60.65 57.73 1xae s ILE 34 Cb -0.03 -1.35 -0.04 0.00 -1.58 0.00 0.00 42.46 39.46 1xae s ILE 34 CO -0.04 0.44 0.09 -0.83 -1.23 0.00 0.00 174.94 173.38 1xae s GLY 35 N 0.32 1.21 -0.54 6.18 0.00 -0.34 -2.68 107.32 111.48 1xae s GLY 35 Ca -0.12 -1.59 0.04 0.00 0.00 0.00 0.00 44.72 43.05 1xae s GLY 35 CO 0.05 -1.39 0.33 -0.19 0.00 0.00 0.00 173.10 171.90 1xae s TYR 36 N -4.09 2.74 0.27 1.90 1.51 0.13 -0.63 117.35 119.18 1xae s TYR 36 Ca 0.31 -2.92 -0.06 0.00 -1.01 0.00 0.00 57.07 53.40 1xae s TYR 36 Cb 0.07 -2.33 0.51 0.00 -0.11 0.00 0.00 41.96 40.11 1xae s TYR 36 CO 0.07 -0.70 1.59 -1.35 -1.11 0.00 0.00 175.55 174.05 1xae h PRO 37 N 6.16 0.03 0.00 -1.71 0.11 -1.78 1.32 132.00 136.14 1xae h PRO 37 Ca 0.04 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 1xae h PRO 37 Cb 0.86 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1xae h PRO 37 CO 0.61 0.02 -0.35 0.74 -0.21 0.00 0.00 178.00 178.81 1xae h PHE 38 N 0.03 0.00 0.00 0.65 -1.00 -1.84 -3.07 116.94 111.71 1xae h PHE 38 Ca 0.48 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 61.10 1xae h PHE 38 Cb 0.84 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.38 1xae h PHE 38 CO -0.56 0.35 -1.11 0.87 -1.61 0.00 0.00 178.31 176.24 1xae h LYS 39 N 0.00 0.00 -0.03 1.51 6.56 -1.22 -3.39 116.57 120.00 1xae h LYS 39 Ca -0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1xae h LYS 39 Cb 1.20 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.86 1xae h LYS 39 CO 0.04 0.40 -0.01 0.41 -2.06 0.00 0.00 179.45 178.24 1xae n GLY 40 N 1.34 0.38 3.59 3.86 0.00 0.43 -4.10 105.19 110.69 1xae n GLY 40 Ca -0.06 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 1xae n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xae s LYS 41 N -3.02 2.14 -0.25 1.61 1.02 -0.92 -1.12 119.74 119.19 1xae s LYS 41 Ca 0.00 -1.11 -0.27 0.00 0.02 0.00 0.00 55.97 54.61 1xae s LYS 41 Cb 0.00 -2.27 0.13 0.00 -0.52 0.00 0.00 37.83 35.17 1xae s LYS 41 CO 0.00 0.48 1.05 1.14 -0.92 0.00 0.00 175.35 177.10 1xae s GLN 42 N -2.50 0.50 -0.07 1.68 -2.07 -0.65 0.19 119.66 116.74 1xae s GLN 42 Ca 0.23 0.43 0.03 0.00 -1.82 0.00 0.00 55.36 54.24 1xae s GLN 42 Cb -0.10 0.24 0.00 0.00 -1.09 0.00 0.00 33.01 32.06 1xae s GLN 42 CO 0.15 -0.09 -0.18 0.99 -1.32 0.00 0.00 175.29 174.84 1xae s THR 43 N -0.18 1.54 0.03 3.63 2.01 -1.09 -0.54 115.64 121.03 1xae s THR 43 Ca 0.02 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1xae s THR 43 Cb -0.04 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.11 1xae s THR 43 CO -0.05 0.44 -0.07 0.27 -0.69 0.00 0.00 174.62 174.53 1xae s ILE 44 N 0.38 0.50 -0.20 1.82 -4.36 0.48 -2.79 121.20 117.02 1xae s ILE 44 Ca -0.13 -0.80 -0.04 0.00 -0.26 0.00 0.00 60.65 59.42 1xae s ILE 44 Cb -0.15 -0.52 -0.01 0.00 1.25 0.00 0.00 42.46 43.02 1xae s ILE 44 CO 0.05 -0.22 -0.04 0.20 0.24 0.00 0.00 174.94 175.17 1xae s ASN 45 N -1.10 4.41 0.20 4.36 -0.87 0.28 0.14 114.94 122.35 1xae s ASN 45 Ca -0.06 -0.32 0.01 0.00 -1.57 0.00 0.00 52.86 50.91 1xae s ASN 45 Cb -0.07 -1.74 0.01 0.00 -0.02 0.00 0.00 41.25 39.42 1xae s ASN 45 CO 0.00 0.03 0.08 0.18 -2.57 0.00 0.00 177.10 174.83 1xae n LEU 46 N 4.43 0.00 -3.88 0.60 4.77 0.11 -1.51 117.00 121.52 1xae n LEU 46 Ca -0.18 -1.12 -0.28 0.00 -0.03 0.00 0.00 56.01 54.40 1xae n LEU 46 Cb 0.51 0.05 -0.16 0.00 -2.33 0.00 0.00 43.42 41.49 1xae n LEU 46 CO 0.30 -0.28 -0.42 -0.69 -1.33 0.00 0.00 177.39 174.97 1xae s VAL 48 N -1.31 1.07 -0.20 4.08 1.01 -0.61 -1.63 120.40 122.80 1xae s VAL 48 Ca 0.06 -0.63 0.15 0.00 0.00 0.00 0.00 61.98 61.56 1xae s VAL 48 Cb -0.01 -1.27 0.47 0.00 0.00 0.00 0.00 36.38 35.58 1xae s VAL 48 CO 0.04 0.10 1.37 2.30 0.00 0.00 0.00 175.10 178.91 1xae n ILE 49 N 4.89 2.28 0.00 2.22 -6.64 0.16 -4.55 119.36 117.71 1xae n ILE 49 Ca -0.12 -2.28 0.00 0.00 -1.77 0.00 0.00 62.75 58.59 1xae n ILE 49 Cb 0.48 -0.27 0.00 0.00 -1.44 0.00 0.00 39.64 38.40 1xae n ILE 49 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1xae n GLU 50 N -0.91 0.00 -0.96 6.28 1.02 -0.80 -4.79 120.64 120.48 1xae n GLU 50 Ca 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1xae n GLU 50 Cb 0.87 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.29 1xae n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xae n GLY 51 N 0.00 0.51 3.86 0.62 0.00 -1.26 -0.26 105.19 108.66 1xae n GLY 51 Ca 0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1xae n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xae s GLY 52 N -2.09 2.16 0.37 -0.02 0.00 -1.26 -3.49 107.32 102.99 1xae s GLY 52 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 44.72 44.41 1xae s GLY 52 CO 0.00 0.13 0.95 2.56 0.00 0.00 0.00 173.10 176.74 1xae s PRO 53 N -3.37 4.41 0.32 2.90 0.04 -1.26 -5.09 135.00 132.95 1xae s PRO 53 Ca 0.53 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 1xae s PRO 53 Cb -0.10 -2.53 -0.12 0.00 0.04 0.00 0.00 34.50 31.79 1xae s PRO 53 CO 0.24 0.12 1.52 1.28 0.04 0.00 0.00 177.00 180.19 1xae n LEU 54 N 0.02 4.31 0.00 -3.56 4.77 -1.23 -4.88 117.00 116.44 1xae n LEU 54 Ca 0.04 1.18 0.15 0.00 -0.03 0.00 0.00 56.01 57.35 1xae n LEU 54 Cb 0.52 -1.58 0.79 0.00 -2.33 0.00 0.00 43.42 40.82 1xae n LEU 54 CO 0.41 0.04 1.03 -0.81 -1.33 0.00 0.00 177.39 176.74 1xae n PRO 55 N 1.42 0.53 -4.63 3.23 -0.04 -1.26 -4.85 135.00 129.40 1xae n PRO 55 Ca 0.06 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.24 1xae n PRO 55 Cb 0.37 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.24 1xae n PRO 55 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1xae s PHE 56 N -2.47 1.98 0.30 0.54 -0.12 -1.26 -4.69 117.98 112.27 1xae s PHE 56 Ca 0.32 -0.99 -0.29 0.00 -0.05 0.00 0.00 56.93 55.92 1xae s PHE 56 Cb 0.20 -1.48 -0.10 0.00 -0.63 0.00 0.00 43.02 41.02 1xae s PHE 56 CO 0.44 0.10 1.29 0.45 -0.05 0.00 0.00 175.22 177.45 1xae s SER 57 N -3.72 6.85 0.36 1.98 0.15 0.39 -4.91 113.70 114.80 1xae s SER 57 Ca 0.20 2.59 0.19 0.00 0.70 0.00 0.00 55.95 59.63 1xae s SER 57 Cb 0.04 -2.64 0.54 0.00 -1.71 0.00 0.00 66.02 62.26 1xae s SER 57 CO 0.11 -0.49 1.66 -0.33 1.20 0.00 0.00 173.24 175.39 1xae h GLU 58 N 3.80 0.00 -1.05 5.44 3.07 -1.95 -3.25 114.58 120.64 1xae h GLU 58 Ca -0.48 0.00 0.29 0.00 -0.50 0.00 0.00 59.36 58.67 1xae h GLU 58 Cb 1.22 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.07 1xae h GLU 58 CO 0.68 0.38 0.72 -0.44 -1.40 0.00 0.00 179.01 178.95 1xae h ASP 59 N 0.00 0.21 0.24 1.42 3.32 -1.95 0.10 116.42 119.77 1xae h ASP 59 Ca -0.00 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1xae h ASP 59 Cb 1.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1xae h ASP 59 CO 0.05 0.05 -0.19 0.16 -1.72 0.00 0.00 179.24 177.59 1xae h ILE 60 N 0.19 1.01 0.00 0.35 3.07 -1.97 -3.04 117.51 117.12 1xae h ILE 60 Ca 0.54 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 66.29 1xae h ILE 60 Cb 1.77 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 39.69 1xae h ILE 60 CO -0.14 0.18 -0.74 -0.07 -1.05 0.00 0.00 178.15 176.34 1xae h LEU 61 N 0.00 0.00 -0.12 0.16 3.38 -1.03 -3.42 115.31 114.28 1xae h LEU 61 Ca -0.00 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1xae h LEU 61 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1xae h LEU 61 CO 0.02 0.00 -0.07 -1.20 0.09 0.00 0.00 178.44 177.29 1xae n SER 62 N -2.77 -0.12 0.17 -0.43 7.64 -1.15 -0.25 113.62 116.71 1xae n SER 62 Ca 0.01 1.02 0.12 0.00 1.01 0.00 0.00 58.87 61.03 1xae n SER 62 Cb 0.54 -0.43 0.61 0.00 -1.01 0.00 0.00 64.21 63.92 1xae n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xae h ALA 63 N -0.75 1.00 -0.09 -0.43 0.00 -1.81 -3.50 119.26 113.68 1xae h ALA 63 Ca 0.02 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.24 1xae h ALA 63 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xae h ALA 63 CO -0.11 0.00 3.49 0.41 0.00 0.00 0.00 179.25 183.04 1xae n GLY 64 N -1.01 4.39 3.12 0.00 0.00 0.66 -5.14 105.19 107.21 1xae n GLY 64 Ca -0.01 -1.59 0.02 0.00 0.00 0.00 0.00 46.02 44.44 1xae n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xae s ASP 69 N 2.24 -1.25 0.00 1.61 -1.08 -1.26 -4.81 116.67 112.12 1xae s ASP 69 Ca 0.62 0.51 0.09 0.00 -0.52 0.00 0.00 52.55 53.25 1xae s ASP 69 Cb 0.17 1.98 0.45 0.00 -1.46 0.00 0.00 42.92 44.06 1xae s ASP 69 CO -0.07 -0.28 1.13 0.54 0.52 0.00 0.00 175.17 177.01 1xae n ARG 70 N 5.42 0.14 -0.09 4.34 5.12 -1.26 -1.78 116.66 128.56 1xae n ARG 70 Ca 0.01 0.18 -0.06 0.00 -1.93 0.00 0.00 57.85 56.05 1xae n ARG 70 Cb 0.52 -1.50 0.13 0.00 -1.16 0.00 0.00 32.46 30.45 1xae n ARG 70 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1xae h ILE 71 N 0.00 1.26 -1.05 0.55 2.04 -1.95 -3.30 117.51 115.07 1xae h ILE 71 Ca 0.00 -1.17 -0.72 0.00 1.00 0.00 0.00 64.86 63.97 1xae h ILE 71 Cb 0.07 1.06 -0.11 0.00 -0.74 0.00 0.00 36.82 37.10 1xae h ILE 71 CO 0.00 0.40 2.23 0.49 0.00 0.00 0.00 178.15 181.27 1xae n PHE 72 N -4.16 3.97 -3.68 1.37 3.01 -0.73 -4.72 117.46 112.52 1xae n PHE 72 Ca 0.01 -2.98 -0.13 0.00 1.01 0.00 0.00 57.45 55.36 1xae n PHE 72 Cb 0.37 -2.34 -0.13 0.00 -0.01 0.00 0.00 39.48 37.37 1xae n PHE 72 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1xae s THR 73 N 2.35 -0.31 -0.34 4.37 2.01 -1.18 -4.51 115.64 118.03 1xae s THR 73 Ca 0.46 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 62.42 1xae s THR 73 Cb 0.07 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 72.15 1xae s THR 73 CO -0.00 0.10 1.55 -0.70 -0.69 0.00 0.00 174.62 174.88 1xae s GLU 74 N 2.09 3.58 -0.12 4.92 2.12 -0.51 -4.59 118.70 126.19 1xae s GLU 74 Ca -0.02 1.24 -0.03 0.00 0.36 0.00 0.00 54.97 56.51 1xae s GLU 74 Cb -0.12 -4.06 -0.03 0.00 0.26 0.00 0.00 34.13 30.18 1xae s GLU 74 CO -0.09 -1.56 0.00 0.71 -0.54 0.00 0.00 175.26 173.79 1xae s TYR 75 N 5.70 3.14 0.60 5.30 1.51 -1.26 0.85 117.35 133.18 1xae s TYR 75 Ca 0.68 0.03 -0.17 0.00 -1.01 0.00 0.00 57.07 56.60 1xae s TYR 75 Cb -0.18 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.75 1xae s TYR 75 CO 0.31 0.27 1.12 -1.25 -1.11 0.00 0.00 175.55 174.90 1xae s PRO 76 N -0.31 3.05 0.36 -1.71 0.04 -1.26 -4.91 135.00 130.26 1xae s PRO 76 Ca 0.06 1.51 0.04 0.00 0.04 0.00 0.00 61.00 62.65 1xae s PRO 76 Cb -0.12 -1.97 0.68 0.00 0.04 0.00 0.00 34.50 33.13 1xae s PRO 76 CO 0.02 -1.07 1.99 -0.56 0.04 0.00 0.00 177.00 177.42 1xae h GLN 77 N 0.59 0.69 0.00 4.56 -0.00 -2.01 -1.08 115.11 117.87 1xae h GLN 77 Ca -0.48 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.10 1xae h GLN 77 Cb 1.26 -0.14 0.00 0.00 -0.00 0.00 0.00 27.48 28.59 1xae h GLN 77 CO 0.55 0.51 0.00 0.38 -0.00 0.00 0.00 178.83 180.27 1xae h ASP 78 N 0.70 0.00 -3.66 0.06 2.03 -2.05 -3.43 116.42 110.08 1xae h ASP 78 Ca 0.18 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.81 1xae h ASP 78 Cb 0.01 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 38.30 1xae h ASP 78 CO -0.03 0.00 -0.72 -0.63 -1.03 0.00 0.00 179.24 176.83 1xae s ILE 79 N -3.93 3.51 -0.02 4.15 1.01 -0.41 -5.03 121.20 120.49 1xae s ILE 79 Ca -0.03 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 1xae s ILE 79 Cb 0.11 -2.44 -0.06 0.00 0.01 0.00 0.00 42.46 40.08 1xae s ILE 79 CO 0.44 0.58 1.53 -0.69 0.00 0.00 0.00 174.94 176.79 1xae s VAL 80 N -0.51 3.58 -1.12 2.92 1.01 -1.26 -4.61 120.40 120.40 1xae s VAL 80 Ca 0.07 0.87 -0.13 0.00 0.00 0.00 0.00 61.98 62.80 1xae s VAL 80 Cb -0.12 -3.56 0.21 0.00 0.00 0.00 0.00 36.38 32.91 1xae s VAL 80 CO 0.02 -0.03 1.24 -0.62 0.00 0.00 0.00 175.10 175.70 1xae s ASP 81 N 2.50 7.10 0.36 3.32 -1.08 -1.26 -4.57 116.67 123.03 1xae s ASP 81 Ca 0.68 -3.10 0.14 0.00 -0.52 0.00 0.00 52.55 49.75 1xae s ASP 81 Cb -0.33 -2.32 0.98 0.00 -1.46 0.00 0.00 42.92 39.79 1xae s ASP 81 CO 0.28 -0.60 1.76 0.22 0.52 0.00 0.00 175.17 177.35 1xae h TYR 82 N 7.18 0.84 0.42 -5.34 3.20 -1.92 0.18 116.97 121.53 1xae h TYR 82 Ca 0.24 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 1xae h TYR 82 Cb 0.90 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1xae h TYR 82 CO 0.98 0.09 -0.20 0.74 -1.64 0.00 0.00 178.16 178.12 1xae h PHE 83 N 0.51 -0.52 -0.61 -3.82 -1.00 -1.89 -1.67 116.94 107.94 1xae h PHE 83 Ca 0.61 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 61.31 1xae h PHE 83 Cb 1.32 0.17 -0.03 0.00 3.61 0.00 0.00 35.95 41.02 1xae h PHE 83 CO -0.00 -0.19 0.11 0.87 -1.61 0.00 0.00 178.31 177.48 1xae h LYS 84 N -0.93 0.99 0.00 1.51 1.57 -1.78 0.14 116.57 118.07 1xae h LYS 84 Ca -0.06 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1xae h LYS 84 Cb 0.56 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1xae h LYS 84 CO 0.09 0.91 0.00 0.09 -0.57 0.00 0.00 179.45 179.97 1xae n ASN 85 N -4.23 0.24 0.18 0.86 4.13 0.60 -1.72 115.26 115.33 1xae n ASN 85 Ca 0.04 0.60 0.14 0.00 1.68 0.00 0.00 54.58 57.04 1xae n ASN 85 Cb 0.27 -0.63 0.61 0.00 -1.54 0.00 0.00 39.78 38.48 1xae n ASN 85 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1xae h SER 86 N 0.00 0.00 -4.13 6.41 4.64 0.29 -3.44 113.55 117.31 1xae h SER 86 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1xae h SER 86 Cb 0.08 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.27 1xae h SER 86 CO 0.00 0.00 0.42 0.00 -0.87 0.00 0.00 176.83 176.38 1xae h PRO 88 N 0.57 0.05 -0.99 0.00 0.13 -1.88 -3.45 132.00 126.43 1xae h PRO 88 Ca -0.49 -0.09 0.33 0.00 -0.87 0.00 0.00 66.00 64.88 1xae h PRO 88 Cb 1.27 0.03 -0.15 0.00 0.13 0.00 0.00 31.00 32.29 1xae h PRO 88 CO 0.54 0.82 0.54 0.00 -0.23 0.00 0.00 178.00 179.68 1xae h ALA 89 N 0.88 1.93 0.00 -0.56 0.00 -1.95 -3.43 119.26 116.13 1xae h ALA 89 Ca -0.17 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xae h ALA 89 Cb 1.92 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.91 1xae h ALA 89 CO 0.12 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 179.16 1xae n GLY 90 N -1.29 -1.66 3.80 0.00 0.00 -0.31 -4.82 105.19 100.90 1xae n GLY 90 Ca 0.32 -2.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.25 1xae n GLY 90 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xae s TYR 91 N 0.00 0.02 0.12 1.61 -0.85 -1.08 -0.23 117.35 116.94 1xae s TYR 91 Ca 0.00 -0.55 0.03 0.00 -0.52 0.00 0.00 57.07 56.03 1xae s TYR 91 Cb 0.00 0.69 -0.04 0.00 0.38 0.00 0.00 41.96 42.99 1xae s TYR 91 CO 0.00 -1.35 -0.07 0.95 -1.52 0.00 0.00 175.55 173.56 1xae s THR 92 N -3.26 0.88 0.01 -3.49 -4.23 0.13 -0.34 115.64 105.34 1xae s THR 92 Ca 0.14 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.65 1xae s THR 92 Cb -0.05 -1.79 -0.01 0.00 1.34 0.00 0.00 72.50 71.99 1xae s THR 92 CO 0.09 -0.79 0.02 -1.66 -0.54 0.00 0.00 174.62 171.75 1xae s TRP 93 N -3.51 0.15 -0.03 3.99 1.48 -0.30 -0.68 118.94 120.04 1xae s TRP 93 Ca 0.15 -0.31 0.04 0.00 -1.06 0.00 0.00 56.10 54.92 1xae s TRP 93 Cb 0.04 -0.12 -0.01 0.00 -1.16 0.00 0.00 33.47 32.23 1xae s TRP 93 CO -0.02 -0.18 -0.15 0.20 -4.06 0.00 0.00 176.95 172.74 1xae s GLY 94 N -1.14 0.77 -0.05 3.67 0.00 -0.66 -0.79 107.32 109.12 1xae s GLY 94 Ca -0.12 -0.61 -0.06 0.00 0.00 0.00 0.00 44.72 43.93 1xae s GLY 94 CO -0.00 -0.39 0.16 -1.60 0.00 0.00 0.00 173.10 171.27 1xae s ARG 95 N -0.11 0.23 -0.14 2.90 3.52 0.54 -0.83 118.95 125.07 1xae s ARG 95 Ca 0.01 0.14 -0.01 0.00 -0.13 0.00 0.00 55.73 55.73 1xae s ARG 95 Cb -0.09 0.11 -0.02 0.00 -1.56 0.00 0.00 34.95 33.39 1xae s ARG 95 CO 0.01 -0.04 -0.09 -1.54 -0.81 0.00 0.00 175.30 172.83 1xae s SER 96 N -0.11 4.35 -0.38 -2.12 1.04 -0.51 -0.91 113.70 115.06 1xae s SER 96 Ca -0.02 -0.23 -0.10 0.00 0.48 0.00 0.00 55.95 56.08 1xae s SER 96 Cb -0.02 -1.65 0.05 0.00 0.10 0.00 0.00 66.02 64.49 1xae s SER 96 CO 0.00 0.18 0.20 -0.36 0.98 0.00 0.00 173.24 174.24 1xae s PHE 97 N 0.29 3.27 -0.76 5.02 0.40 0.35 -1.71 117.98 124.85 1xae s PHE 97 Ca -0.07 -1.23 -0.10 0.00 -0.60 0.00 0.00 56.93 54.93 1xae s PHE 97 Cb -0.15 -2.55 0.20 0.00 0.51 0.00 0.00 43.02 41.02 1xae s PHE 97 CO 0.04 -0.73 0.65 -0.51 0.70 0.00 0.00 175.22 175.38 1xae s LEU 98 N 1.48 6.24 0.22 -0.37 1.02 0.18 -2.11 118.68 125.35 1xae s LEU 98 Ca 0.01 -2.73 -0.30 0.00 0.02 0.00 0.00 54.13 51.13 1xae s LEU 98 Cb -0.20 -2.09 -0.09 0.00 0.02 0.00 0.00 46.19 43.83 1xae s LEU 98 CO 0.05 -0.51 1.17 -0.36 0.02 0.00 0.00 176.35 176.71 1xae s PHE 99 N 0.11 3.46 0.35 0.29 0.40 -0.99 -0.14 117.98 121.45 1xae s PHE 99 Ca 0.17 1.52 0.12 0.00 -0.60 0.00 0.00 56.93 58.15 1xae s PHE 99 Cb -0.14 -3.39 0.93 0.00 0.51 0.00 0.00 43.02 40.93 1xae s PHE 99 CO -0.07 -1.00 1.77 1.05 0.70 0.00 0.00 175.22 177.67 1xae h GLU 100 N 4.67 0.54 -0.35 0.44 4.11 -0.47 -1.50 114.58 122.03 1xae h GLU 100 Ca -0.45 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1xae h GLU 100 Cb 1.21 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1xae h GLU 100 CO 0.71 0.36 0.00 -0.40 0.07 0.00 0.00 179.01 179.75 1xae n ASP 101 N -4.73 0.75 0.00 3.06 3.85 -1.26 -4.85 116.55 113.37 1xae n ASP 101 Ca 0.25 -2.03 0.00 0.00 -0.71 0.00 0.00 54.79 52.30 1xae n ASP 101 Cb 0.73 -0.19 0.00 0.00 -1.35 0.00 0.00 41.12 40.31 1xae n ASP 101 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xae n GLY 102 N 0.46 0.22 3.77 6.12 0.00 -0.56 -4.75 105.19 110.44 1xae n GLY 102 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1xae n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xae s ALA 103 N -2.03 3.12 -0.09 4.61 0.00 -1.10 -4.71 121.76 121.55 1xae s ALA 103 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1xae s ALA 103 Cb 0.00 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1xae s ALA 103 CO 0.00 -0.48 -0.08 0.08 0.00 0.00 0.00 175.76 175.28 1xae s VAL 104 N -1.47 0.94 0.13 0.00 1.01 0.12 -2.36 120.40 118.77 1xae s VAL 104 Ca 0.58 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 62.34 1xae s VAL 104 Cb -0.29 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1xae s VAL 104 CO 0.36 0.34 -0.17 0.00 0.00 0.00 0.00 175.10 175.62 1xae s ILE 106 N -1.80 0.13 -0.04 0.00 1.01 0.58 -0.50 121.20 120.58 1xae s ILE 106 Ca 0.10 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.86 1xae s ILE 106 Cb -0.07 -0.22 0.02 0.00 0.01 0.00 0.00 42.46 42.20 1xae s ILE 106 CO 0.05 0.13 -0.07 0.00 0.00 0.00 0.00 174.94 175.04 1xae s ASN 108 N 0.69 2.57 -0.07 0.00 0.01 -0.86 -0.34 114.94 116.95 1xae s ASN 108 Ca -0.10 -0.46 0.04 0.00 -0.71 0.00 0.00 52.86 51.63 1xae s ASN 108 Cb -0.13 -1.18 0.00 0.00 0.41 0.00 0.00 41.25 40.35 1xae s ASN 108 CO 0.01 0.09 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.80 1xae s VAL 109 N 0.60 1.69 -0.35 1.60 1.01 0.03 -0.92 120.40 124.06 1xae s VAL 109 Ca -0.14 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 1xae s VAL 109 Cb -0.17 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1xae s VAL 109 CO 0.05 0.48 0.21 -0.62 0.00 0.00 0.00 175.10 175.21 1xae s ASP 110 N 0.24 5.80 -0.24 3.32 3.68 -0.51 -1.15 116.67 127.82 1xae s ASP 110 Ca -0.11 -0.70 -0.10 0.00 2.13 0.00 0.00 52.55 53.76 1xae s ASP 110 Cb -0.15 -2.06 -0.05 0.00 -1.45 0.00 0.00 42.92 39.21 1xae s ASP 110 CO 0.05 -0.30 0.15 -0.63 0.13 0.00 0.00 175.17 174.57 1xae s ILE 111 N 1.63 5.25 -0.00 4.11 -1.09 0.54 -2.72 121.20 128.91 1xae s ILE 111 Ca 0.04 0.14 0.01 0.00 -2.23 0.00 0.00 60.65 58.62 1xae s ILE 111 Cb -0.18 -3.45 -0.00 0.00 -1.58 0.00 0.00 42.46 37.25 1xae s ILE 111 CO 0.08 0.34 -0.05 -0.89 -1.23 0.00 0.00 174.94 173.19 1xae s THR 112 N 1.12 0.38 -0.12 2.92 2.01 -0.87 -2.65 115.64 118.43 1xae s THR 112 Ca 0.07 -0.22 0.03 0.00 0.31 0.00 0.00 61.69 61.88 1xae s THR 112 Cb -0.14 -0.33 0.01 0.00 0.01 0.00 0.00 72.50 72.05 1xae s THR 112 CO 0.05 0.10 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.16 1xae s VAL 113 N -0.13 2.06 -0.40 3.82 1.01 -1.26 0.85 120.40 126.35 1xae s VAL 113 Ca 0.02 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 60.82 1xae s VAL 113 Cb -0.02 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1xae s VAL 113 CO -0.00 0.55 0.49 -0.55 0.00 0.00 0.00 175.10 175.59 1xae s SER 114 N 0.59 6.25 0.05 3.32 0.15 0.48 -4.95 113.70 119.60 1xae s SER 114 Ca -0.13 -0.41 -0.28 0.00 0.70 0.00 0.00 55.95 55.83 1xae s SER 114 Cb -0.17 -2.25 -0.17 0.00 -1.71 0.00 0.00 66.02 61.72 1xae s SER 114 CO 0.03 -0.58 1.53 0.58 1.20 0.00 0.00 173.24 176.00 1xae h VAL 115 N 5.72 0.62 0.00 4.45 2.07 -1.92 1.22 116.25 128.41 1xae h VAL 115 Ca -0.27 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1xae h VAL 115 Cb 1.11 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1xae h VAL 115 CO 0.80 0.04 -0.01 0.07 0.02 0.00 0.00 177.57 178.49 1xae h LYS 116 N -0.64 0.00 -0.00 1.57 2.10 -1.97 -2.09 116.57 115.54 1xae h LYS 116 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1xae h LYS 116 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1xae h LYS 116 CO 0.09 0.01 -0.53 0.39 -2.00 0.00 0.00 179.45 177.41 1xae n GLU 117 N -3.79 2.36 -2.69 0.07 -0.58 -1.06 -4.98 120.64 109.97 1xae n GLU 117 Ca -0.03 -0.22 -0.15 0.00 -0.42 0.00 0.00 57.16 56.34 1xae n GLU 117 Cb 0.09 -1.15 -0.00 0.00 -0.57 0.00 0.00 31.44 29.80 1xae n GLU 117 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1xae n ASN 118 N -0.97 -3.91 -4.32 1.62 5.15 0.42 -4.87 115.26 108.37 1xae n ASN 118 Ca 0.04 0.04 -0.26 0.00 -0.60 0.00 0.00 54.58 53.79 1xae n ASN 118 Cb 0.23 -3.30 -0.13 0.00 -0.53 0.00 0.00 39.78 36.06 1xae n ASN 118 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xae s ILE 120 N -1.07 3.88 -0.08 0.00 1.01 0.38 -0.39 121.20 124.93 1xae s ILE 120 Ca 0.09 -0.58 -0.17 0.00 0.00 0.00 0.00 60.65 59.99 1xae s ILE 120 Cb -0.10 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 1xae s ILE 120 CO 0.04 0.19 0.44 -0.47 0.00 0.00 0.00 174.94 175.14 1xae s TYR 121 N 1.51 3.58 -0.16 3.97 5.04 0.25 0.02 117.35 131.56 1xae s TYR 121 Ca 0.04 0.90 0.01 0.00 -2.44 0.00 0.00 57.07 55.57 1xae s TYR 121 Cb -0.16 -2.45 0.02 0.00 0.35 0.00 0.00 41.96 39.72 1xae s TYR 121 CO 0.01 0.33 -0.16 -1.01 -1.34 0.00 0.00 175.55 173.38 1xae s HIS 122 N 0.06 2.35 -0.36 4.97 3.76 0.21 -2.04 115.29 124.23 1xae s HIS 122 Ca 0.24 -1.33 0.01 0.00 -0.15 0.00 0.00 55.06 53.83 1xae s HIS 122 Cb -0.15 -1.69 0.10 0.00 1.11 0.00 0.00 32.58 31.95 1xae s HIS 122 CO 0.11 -0.70 0.11 0.21 -0.85 0.00 0.00 174.74 173.61 1xae s LYS 123 N 1.39 1.73 0.18 1.40 2.47 -1.10 -1.54 119.74 124.27 1xae s LYS 123 Ca 0.04 -1.83 0.05 0.00 -1.56 0.00 0.00 55.97 52.67 1xae s LYS 123 Cb -0.13 -3.35 -0.04 0.00 -1.46 0.00 0.00 37.83 32.85 1xae s LYS 123 CO -0.11 -0.98 0.18 -1.54 0.16 0.00 0.00 175.35 173.07 1xae s SER 124 N 1.28 5.69 -0.30 1.43 1.04 -0.86 -1.42 113.70 120.57 1xae s SER 124 Ca 0.09 -0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.40 1xae s SER 124 Cb -0.21 -1.53 0.10 0.00 0.10 0.00 0.00 66.02 64.48 1xae s SER 124 CO -0.06 0.04 0.11 -0.63 0.98 0.00 0.00 173.24 173.68 1xae s ILE 125 N -1.83 0.35 -0.23 -1.02 1.01 -0.09 -2.41 121.20 116.96 1xae s ILE 125 Ca 0.32 -1.03 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 1xae s ILE 125 Cb -0.10 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1xae s ILE 125 CO 0.25 -0.70 0.12 0.12 0.00 0.00 0.00 174.94 174.74 1xae s PHE 126 N 1.89 3.24 -0.06 3.97 5.36 -0.46 -2.02 117.98 129.90 1xae s PHE 126 Ca 0.09 0.05 0.03 0.00 -0.96 0.00 0.00 56.93 56.14 1xae s PHE 126 Cb -0.17 -2.24 0.01 0.00 -0.34 0.00 0.00 43.02 40.28 1xae s PHE 126 CO -0.31 -0.03 -0.14 -0.80 -1.46 0.00 0.00 175.22 172.47 1xae s ASN 127 N 1.12 1.97 -0.05 6.13 0.01 -0.26 -3.90 114.94 119.96 1xae s ASN 127 Ca 0.06 -0.33 -0.13 0.00 -0.71 0.00 0.00 52.86 51.75 1xae s ASN 127 Cb -0.14 -0.80 0.03 0.00 0.41 0.00 0.00 41.25 40.74 1xae s ASN 127 CO 0.04 0.08 0.31 -0.83 -1.51 0.00 0.00 177.10 175.19 1xae s GLY 128 N 0.45 -0.18 0.29 0.66 0.00 -1.26 -0.30 107.32 106.98 1xae s GLY 128 Ca -0.12 0.53 -0.08 0.00 0.00 0.00 0.00 44.72 45.05 1xae s GLY 128 CO 0.04 0.35 0.49 -3.16 0.00 0.00 0.00 173.10 170.81 1xae s MET 129 N -0.77 1.73 -1.26 2.90 0.23 0.78 0.13 119.30 123.04 1xae s MET 129 Ca -0.09 -1.49 -0.04 0.00 -1.03 0.00 0.00 55.69 53.05 1xae s MET 129 Cb -0.04 0.46 0.00 0.00 -1.53 0.00 0.00 34.83 33.72 1xae s MET 129 CO 0.03 -0.72 0.52 0.09 -2.03 0.00 0.00 175.02 172.90 1xae n ASN 130 N -0.87 -5.30 -4.49 -1.18 3.02 -1.26 0.12 115.26 105.30 1xae n ASN 130 Ca -0.01 -0.24 -0.43 0.00 -0.03 0.00 0.00 54.58 53.87 1xae n ASN 130 Cb 0.62 -4.13 -0.04 0.00 -0.61 0.00 0.00 39.78 35.62 1xae n ASN 130 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1xae s PHE 131 N -3.07 2.70 -0.27 3.10 0.40 -1.26 -2.72 117.98 116.87 1xae s PHE 131 Ca 0.26 -0.25 -0.42 0.00 -0.60 0.00 0.00 56.93 55.92 1xae s PHE 131 Cb -0.11 -4.21 -0.18 0.00 0.51 0.00 0.00 43.02 39.03 1xae s PHE 131 CO 0.32 -1.54 1.55 -2.30 0.70 0.00 0.00 175.22 173.95 1xae n PRO 132 N 7.72 0.62 -0.32 0.24 -0.02 -1.26 -4.80 135.00 137.17 1xae n PRO 132 Ca -0.01 0.23 0.26 0.00 -2.02 0.00 0.00 63.50 61.96 1xae n PRO 132 Cb 0.47 -1.82 0.57 0.00 -0.02 0.00 0.00 33.50 32.70 1xae n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xae h ALA 133 N 5.56 2.45 -0.63 3.55 0.00 -1.97 0.91 119.26 129.13 1xae h ALA 133 Ca -0.46 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xae h ALA 133 Cb 1.35 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1xae h ALA 133 CO 0.90 -0.85 0.00 -0.40 0.00 0.00 0.00 179.25 178.91 1xae n ASP 134 N -4.53 4.93 -4.82 0.00 5.68 -1.26 -4.14 116.55 112.41 1xae n ASP 134 Ca 0.26 -2.54 -0.30 0.00 -0.50 0.00 0.00 54.79 51.71 1xae n ASP 134 Cb 0.98 -0.60 0.10 0.00 -1.14 0.00 0.00 41.12 40.45 1xae n ASP 134 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1xae s GLY 135 N -0.86 1.61 0.48 6.12 0.00 0.32 -4.77 107.32 110.21 1xae s GLY 135 Ca 0.51 -0.35 0.14 0.00 0.00 0.00 0.00 44.72 45.02 1xae s GLY 135 CO 0.23 0.10 2.08 -0.56 0.00 0.00 0.00 173.10 174.95 1xae h PRO 136 N -1.13 0.22 0.06 2.90 0.13 -1.92 0.34 132.00 132.60 1xae h PRO 136 Ca -0.47 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1xae h PRO 136 Cb 1.29 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xae h PRO 136 CO 0.61 0.15 -0.03 0.28 -0.23 0.00 0.00 178.00 178.78 1xae h VAL 137 N 0.23 1.16 -0.31 1.56 2.07 -1.92 0.92 116.25 119.95 1xae h VAL 137 Ca 0.12 -1.54 -0.06 0.00 0.82 0.00 0.00 66.70 66.04 1xae h VAL 137 Cb 0.19 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1xae h VAL 137 CO -0.02 0.34 -0.07 0.24 0.02 0.00 0.00 177.57 178.08 1xae h MET 138 N -0.87 0.51 -0.63 1.57 2.86 -1.71 0.14 114.93 116.79 1xae h MET 138 Ca -0.01 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1xae h MET 138 Cb 0.62 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1xae h MET 138 CO 0.01 0.59 0.00 1.63 1.06 0.00 0.00 176.91 180.20 1xae n LYS 139 N -4.24 3.02 -3.30 1.72 4.76 0.12 -4.71 118.16 115.53 1xae n LYS 139 Ca 0.01 -2.38 -0.23 0.00 -2.87 0.00 0.00 58.31 52.84 1xae n LYS 139 Cb 0.29 -1.69 0.01 0.00 -1.84 0.00 0.00 35.03 31.80 1xae n LYS 139 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1xae n LYS 140 N 1.09 -1.27 -0.21 1.97 5.02 -0.09 -4.88 118.16 119.79 1xae n LYS 140 Ca 0.22 0.73 0.07 0.00 -2.02 0.00 0.00 58.31 57.31 1xae n LYS 140 Cb 0.69 -1.62 0.11 0.00 -0.02 0.00 0.00 35.03 34.19 1xae n LYS 140 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1xae n MET 141 N -1.47 0.95 -3.64 1.97 2.81 0.30 -5.00 117.12 113.05 1xae n MET 141 Ca -0.19 -2.19 -0.30 0.00 -1.81 0.00 0.00 57.70 53.21 1xae n MET 141 Cb 0.53 -1.23 -0.04 0.00 -0.71 0.00 0.00 33.22 31.76 1xae n MET 141 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1xae s THR 142 N -2.13 5.16 0.07 2.03 -4.23 -1.25 -0.90 115.64 114.39 1xae s THR 142 Ca 0.24 -0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.63 1xae s THR 142 Cb 0.21 -3.68 -0.00 0.00 1.34 0.00 0.00 72.50 70.37 1xae s THR 142 CO 0.02 -0.09 -0.02 0.35 -0.54 0.00 0.00 174.62 174.34 1xae n THR 143 N -0.32 1.08 -3.69 3.99 -2.24 0.26 -4.81 114.28 108.56 1xae n THR 143 Ca -0.03 0.33 -0.10 0.00 -2.27 0.00 0.00 64.05 61.99 1xae n THR 143 Cb 0.53 -1.61 -0.03 0.00 -2.10 0.00 0.00 70.33 67.11 1xae n THR 143 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1xae s ASN 144 N -5.87 -0.32 0.15 3.42 0.01 -1.21 -4.71 114.94 106.41 1xae s ASN 144 Ca -0.02 -0.40 -0.19 0.00 -0.71 0.00 0.00 52.86 51.54 1xae s ASN 144 Cb 0.00 0.59 -0.07 0.00 0.41 0.00 0.00 41.25 42.18 1xae s ASN 144 CO 0.02 -1.06 0.65 0.26 -1.51 0.00 0.00 177.10 175.46 1xae s TRP 145 N -3.85 3.73 0.36 2.20 0.52 -1.26 0.20 118.94 120.84 1xae s TRP 145 Ca 0.08 1.32 -0.24 0.00 0.02 0.00 0.00 56.10 57.28 1xae s TRP 145 Cb -0.01 -2.55 -0.10 0.00 -1.15 0.00 0.00 33.47 29.65 1xae s TRP 145 CO -0.04 0.46 0.96 -2.00 0.02 0.00 0.00 176.95 176.35 1xae s GLU 146 N -1.58 4.44 0.29 4.98 2.12 0.75 -4.71 118.70 124.99 1xae s GLU 146 Ca 0.36 1.28 -0.29 0.00 0.36 0.00 0.00 54.97 56.69 1xae s GLU 146 Cb -0.18 -2.59 -0.13 0.00 0.26 0.00 0.00 34.13 31.48 1xae s GLU 146 CO 0.21 0.15 1.24 0.00 -0.54 0.00 0.00 175.26 176.32 1xae n ALA 147 N 0.15 0.76 -2.70 6.30 0.00 -1.26 -4.69 120.51 119.07 1xae n ALA 147 Ca 0.04 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.55 1xae n ALA 147 Cb 0.51 -2.19 -0.08 0.00 0.00 0.00 0.00 19.45 17.69 1xae n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xae s SER 148 N -0.21 4.09 -0.28 0.00 1.04 0.23 -4.97 113.70 113.60 1xae s SER 148 Ca 0.60 -1.54 -0.04 0.00 0.48 0.00 0.00 55.95 55.45 1xae s SER 148 Cb -0.64 0.23 0.10 0.00 0.10 0.00 0.00 66.02 65.81 1xae s SER 148 CO 0.58 -0.74 0.14 0.00 0.98 0.00 0.00 173.24 174.20 1xae s GLU 150 N 2.12 3.59 -0.27 0.00 2.12 0.59 -4.76 118.70 122.09 1xae s GLU 150 Ca 0.09 -0.13 -0.11 0.00 0.36 0.00 0.00 54.97 55.18 1xae s GLU 150 Cb -0.16 -2.90 -0.05 0.00 0.26 0.00 0.00 34.13 31.28 1xae s GLU 150 CO -0.35 0.51 0.18 0.21 -0.54 0.00 0.00 175.26 175.26 1xae s LYS 151 N -2.54 3.94 -0.30 4.30 2.20 0.14 0.05 119.74 127.54 1xae s LYS 151 Ca 0.39 -0.33 -0.09 0.00 -0.36 0.00 0.00 55.97 55.58 1xae s LYS 151 Cb -0.12 -3.61 -0.01 0.00 -1.51 0.00 0.00 37.83 32.57 1xae s LYS 151 CO 0.24 -0.15 0.14 0.42 -0.36 0.00 0.00 175.35 175.65 1xae s ILE 152 N 1.65 4.58 -0.00 5.43 -1.09 0.30 -0.70 121.20 131.37 1xae s ILE 152 Ca 0.07 -0.39 0.04 0.00 -2.23 0.00 0.00 60.65 58.14 1xae s ILE 152 Cb -0.16 -3.32 -0.01 0.00 -1.58 0.00 0.00 42.46 37.40 1xae s ILE 152 CO 0.09 0.09 -0.13 0.00 -1.23 0.00 0.00 174.94 173.77 1xae s MET 153 N 1.61 1.01 0.32 2.79 0.23 0.64 -1.13 119.30 124.77 1xae s MET 153 Ca 0.05 -0.51 -0.26 0.00 -1.03 0.00 0.00 55.69 53.94 1xae s MET 153 Cb -0.17 -0.98 -0.10 0.00 -1.53 0.00 0.00 34.83 32.06 1xae s MET 153 CO 0.06 0.26 0.96 -1.25 -2.03 0.00 0.00 175.02 173.02 1xae s PRO 154 N -0.45 4.58 -0.55 3.16 0.04 -1.26 0.08 135.00 140.60 1xae s PRO 154 Ca 0.04 1.37 -0.15 0.00 0.04 0.00 0.00 61.00 62.30 1xae s PRO 154 Cb -0.05 -2.84 0.13 0.00 0.04 0.00 0.00 34.50 31.78 1xae s PRO 154 CO -0.00 0.27 0.50 0.08 0.04 0.00 0.00 177.00 177.89 1xae s VAL 155 N -1.57 5.16 -0.06 -0.36 1.01 -0.45 -4.91 120.40 119.23 1xae s VAL 155 Ca 0.50 -1.58 -0.37 0.00 0.00 0.00 0.00 61.98 60.53 1xae s VAL 155 Cb -0.20 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.72 1xae s VAL 155 CO 0.25 -0.87 1.60 -0.81 0.00 0.00 0.00 175.10 175.27 1xae n PRO 156 N 5.15 1.44 -1.06 2.72 -0.04 -1.26 -1.16 135.00 140.79 1xae n PRO 156 Ca -0.12 0.52 -0.02 0.00 -0.04 0.00 0.00 63.50 63.84 1xae n PRO 156 Cb 0.40 -2.23 -0.01 0.00 -0.04 0.00 0.00 33.50 31.63 1xae n PRO 156 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1xae n LYS 157 N 4.28 -0.62 -0.00 0.54 -0.00 -1.26 -4.84 118.16 116.26 1xae n LYS 157 Ca 0.22 0.33 0.01 0.00 -0.00 0.00 0.00 58.31 58.86 1xae n LYS 157 Cb 0.20 -3.91 -0.01 0.00 -0.00 0.00 0.00 35.03 31.30 1xae n LYS 157 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1xae n GLN 158 N -1.98 0.24 -0.96 -1.58 6.02 -0.31 -5.00 117.38 113.80 1xae n GLN 158 Ca -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1xae n GLN 158 Cb 0.18 -1.03 0.00 0.00 1.02 0.00 0.00 30.24 30.41 1xae n GLN 158 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xae n GLY 159 N 2.45 0.39 3.75 1.08 0.00 -1.20 -5.00 105.19 106.67 1xae n GLY 159 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1xae n GLY 159 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xae s ILE 160 N -1.91 2.70 0.18 -0.61 -5.25 -1.26 -4.59 121.20 110.46 1xae s ILE 160 Ca 0.00 -1.65 0.11 0.00 -0.99 0.00 0.00 60.65 58.12 1xae s ILE 160 Cb 0.00 -2.99 -0.04 0.00 2.95 0.00 0.00 42.46 42.38 1xae s ILE 160 CO 0.00 -0.09 -0.22 -0.76 -1.79 0.00 0.00 174.94 172.08 1xae s LEU 161 N -3.91 2.50 -0.10 0.37 1.02 -0.20 -1.34 118.68 117.02 1xae s LEU 161 Ca 0.40 -0.80 0.01 0.00 0.02 0.00 0.00 54.13 53.77 1xae s LEU 161 Cb -0.00 -1.26 0.02 0.00 0.02 0.00 0.00 46.19 44.97 1xae s LEU 161 CO 0.23 0.13 -0.11 -0.54 0.02 0.00 0.00 176.35 176.09 1xae s LYS 162 N -2.56 1.76 -0.13 1.70 -0.14 0.11 -0.86 119.74 119.62 1xae s LYS 162 Ca 0.20 -0.38 -0.04 0.00 -1.36 0.00 0.00 55.97 54.39 1xae s LYS 162 Cb -0.08 -1.62 -0.03 0.00 -1.68 0.00 0.00 37.83 34.41 1xae s LYS 162 CO 0.10 -0.13 -0.00 0.20 -0.76 0.00 0.00 175.35 174.75 1xae s GLY 163 N 1.22 1.81 -0.07 -3.33 0.00 -0.59 -0.26 107.32 106.10 1xae s GLY 163 Ca -0.03 -0.80 -0.00 0.00 0.00 0.00 0.00 44.72 43.89 1xae s GLY 163 CO -0.03 -0.24 -0.03 -0.35 0.00 0.00 0.00 173.10 172.44 1xae s ASP 164 N -0.13 1.45 -0.19 1.64 3.68 0.12 -0.37 116.67 122.88 1xae s ASP 164 Ca 0.04 -0.14 -0.15 0.00 2.13 0.00 0.00 52.55 54.43 1xae s ASP 164 Cb -0.13 -0.52 0.05 0.00 -1.45 0.00 0.00 42.92 40.88 1xae s ASP 164 CO 0.02 -0.12 0.49 0.54 0.13 0.00 0.00 175.17 176.22 1xae s VAL 165 N 1.50 -0.01 -0.45 1.11 0.11 -0.98 0.28 120.40 121.96 1xae s VAL 165 Ca -0.02 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 58.90 1xae s VAL 165 Cb -0.13 -0.69 0.05 0.00 -1.53 0.00 0.00 36.38 34.08 1xae s VAL 165 CO -0.03 0.01 0.39 -0.55 -3.33 0.00 0.00 175.10 171.58 1xae s SER 166 N 0.65 6.15 0.35 3.54 0.15 -1.26 -1.48 113.70 121.80 1xae s SER 166 Ca -0.03 -1.10 -0.06 0.00 0.70 0.00 0.00 55.95 55.46 1xae s SER 166 Cb -0.05 -2.19 -0.05 0.00 -1.71 0.00 0.00 66.02 62.02 1xae s SER 166 CO -0.04 -0.60 0.64 -0.04 1.20 0.00 0.00 173.24 174.40 1xae s MET 167 N 1.77 3.65 -0.10 5.44 -1.94 0.84 -4.94 119.30 124.02 1xae s MET 167 Ca 0.06 0.13 -0.02 0.00 -1.71 0.00 0.00 55.69 54.15 1xae s MET 167 Cb -0.22 -2.55 0.04 0.00 2.01 0.00 0.00 34.83 34.12 1xae s MET 167 CO 0.09 0.09 0.02 0.71 -0.01 0.00 0.00 175.02 175.92 1xae s TYR 168 N -2.26 0.64 -0.31 -0.03 1.51 -1.26 -1.44 117.35 114.21 1xae s TYR 168 Ca 0.46 -0.29 -0.17 0.00 -1.01 0.00 0.00 57.07 56.05 1xae s TYR 168 Cb -0.10 -0.81 -0.02 0.00 -0.11 0.00 0.00 41.96 40.92 1xae s TYR 168 CO 0.32 -0.40 0.48 -1.17 -1.11 0.00 0.00 175.55 173.68 1xae s LEU 169 N 1.98 4.21 0.12 -1.29 2.96 0.11 -0.18 118.68 126.59 1xae s LEU 169 Ca 0.03 0.17 -0.30 0.00 -0.22 0.00 0.00 54.13 53.81 1xae s LEU 169 Cb -0.14 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.93 1xae s LEU 169 CO -0.06 -0.36 1.20 -0.76 -1.32 0.00 0.00 176.35 175.05 1xae s LEU 170 N 2.29 4.41 0.41 -0.68 1.43 0.54 -1.10 118.68 125.97 1xae s LEU 170 Ca 0.18 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 1xae s LEU 170 Cb -0.16 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 1xae s LEU 170 CO 0.11 -0.42 0.62 -0.76 0.23 0.00 0.00 176.35 176.14 1xae s LEU 171 N 0.49 3.80 0.23 1.79 1.43 0.23 0.93 118.68 127.58 1xae s LEU 171 Ca 0.56 0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 53.96 1xae s LEU 171 Cb -0.31 -3.25 0.21 0.00 0.03 0.00 0.00 46.19 42.87 1xae s LEU 171 CO 0.32 -0.52 1.85 0.11 0.23 0.00 0.00 176.35 178.34 1xae h LYS 172 N 0.55 1.26 0.00 1.70 1.79 -1.30 0.81 116.57 121.38 1xae h LYS 172 Ca -0.48 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 57.84 1xae h LYS 172 Cb 1.24 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1xae h LYS 172 CO 0.59 0.93 0.00 -0.40 -1.08 0.00 0.00 179.45 179.49 1xae n ASP 173 N -4.32 0.08 0.00 0.86 5.75 -1.26 -4.79 116.55 112.87 1xae n ASP 173 Ca 0.09 0.52 0.00 0.00 -0.01 0.00 0.00 54.79 55.40 1xae n ASP 173 Cb 0.11 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 1xae n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xae n GLY 174 N -0.30 0.81 3.85 6.12 0.00 0.28 -5.06 105.19 110.90 1xae n GLY 174 Ca 0.03 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1xae n GLY 174 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xae s GLY 175 N -2.10 2.41 0.31 -0.02 0.00 -1.25 -4.74 107.32 101.93 1xae s GLY 175 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 44.72 44.39 1xae s GLY 175 CO 0.00 0.03 0.68 0.50 0.00 0.00 0.00 173.10 174.32 1xae s ARG 176 N -2.06 3.89 -0.16 2.90 0.52 -1.26 0.77 118.95 123.54 1xae s ARG 176 Ca 0.38 0.50 -0.00 0.00 -0.52 0.00 0.00 55.73 56.08 1xae s ARG 176 Cb -0.14 -2.49 0.04 0.00 0.52 0.00 0.00 34.95 32.88 1xae s ARG 176 CO 0.19 0.17 -0.05 -0.47 0.02 0.00 0.00 175.30 175.16 1xae s TYR 177 N -2.01 1.70 0.33 -0.53 5.04 -0.26 -4.91 117.35 116.71 1xae s TYR 177 Ca 0.51 -1.07 -0.26 0.00 -2.44 0.00 0.00 57.07 53.81 1xae s TYR 177 Cb -0.10 -1.31 -0.09 0.00 0.35 0.00 0.00 41.96 40.80 1xae s TYR 177 CO 0.21 -0.61 1.02 0.50 -1.34 0.00 0.00 175.55 175.33 1xae s ARG 178 N 1.63 4.46 -0.24 4.97 3.52 -1.26 -0.71 118.95 131.33 1xae s ARG 178 Ca 0.01 1.52 -0.09 0.00 -0.13 0.00 0.00 55.73 57.03 1xae s ARG 178 Cb -0.15 -2.83 0.10 0.00 -1.56 0.00 0.00 34.95 30.50 1xae s ARG 178 CO -0.08 0.13 0.52 0.00 -0.81 0.00 0.00 175.30 175.06 1xae s GLN 180 N 2.45 3.88 -0.28 0.00 2.00 0.80 -0.11 119.66 128.40 1xae s GLN 180 Ca -0.05 0.14 -0.14 0.00 -2.00 0.00 0.00 55.36 53.31 1xae s GLN 180 Cb -0.11 -3.72 -0.04 0.00 0.80 0.00 0.00 33.01 29.94 1xae s GLN 180 CO -0.15 -0.49 0.32 -0.06 -0.50 0.00 0.00 175.29 174.40 1xae s PHE 181 N 2.39 3.24 -0.27 1.67 0.40 -0.55 -0.65 117.98 124.22 1xae s PHE 181 Ca 0.21 0.30 0.02 0.00 -0.60 0.00 0.00 56.93 56.87 1xae s PHE 181 Cb -0.15 -2.53 0.07 0.00 0.51 0.00 0.00 43.02 40.92 1xae s PHE 181 CO 0.11 -0.23 -0.06 -0.51 0.70 0.00 0.00 175.22 175.24 1xae s ASP 182 N 1.68 4.33 0.15 1.36 -0.00 -0.69 -2.33 116.67 121.17 1xae s ASP 182 Ca 0.13 -1.49 0.06 0.00 -0.00 0.00 0.00 52.55 51.25 1xae s ASP 182 Cb -0.16 -1.44 -0.04 0.00 -0.00 0.00 0.00 42.92 41.28 1xae s ASP 182 CO 0.10 -0.25 0.03 -0.89 -0.00 0.00 0.00 175.17 174.17 1xae s THR 183 N 1.16 3.96 -0.16 -1.27 2.01 0.50 -1.42 115.64 120.43 1xae s THR 183 Ca -0.04 -1.25 -0.00 0.00 0.31 0.00 0.00 61.69 60.71 1xae s THR 183 Cb -0.19 -2.98 0.04 0.00 0.01 0.00 0.00 72.50 69.37 1xae s THR 183 CO -0.07 -0.06 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.03 1xae s VAL 184 N -1.64 1.29 -0.29 3.82 1.01 -0.01 -1.54 120.40 123.03 1xae s VAL 184 Ca 0.28 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 1xae s VAL 184 Cb -0.10 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1xae s VAL 184 CO 0.20 0.21 0.12 -0.31 0.00 0.00 0.00 175.10 175.32 1xae s TYR 185 N 1.56 3.15 -0.13 5.22 1.51 -0.04 -1.66 117.35 126.96 1xae s TYR 185 Ca 0.01 -0.60 -0.01 0.00 -1.01 0.00 0.00 57.07 55.46 1xae s TYR 185 Cb -0.15 -2.30 0.03 0.00 -0.11 0.00 0.00 41.96 39.43 1xae s TYR 185 CO -0.08 -0.45 -0.05 0.21 -1.11 0.00 0.00 175.55 174.07 1xae s LYS 186 N 1.59 1.28 0.65 -0.62 2.20 0.14 -1.03 119.74 123.96 1xae s LYS 186 Ca 0.05 -0.29 -0.16 0.00 -0.36 0.00 0.00 55.97 55.20 1xae s LYS 186 Cb -0.17 -1.66 -0.00 0.00 -1.51 0.00 0.00 37.83 34.50 1xae s LYS 186 CO 0.05 -0.35 1.16 0.00 -0.36 0.00 0.00 175.35 175.84 1xae s ALA 187 N 1.74 2.40 0.07 3.13 0.00 -1.26 0.18 121.76 128.03 1xae s ALA 187 Ca 0.03 0.76 0.21 0.00 0.00 0.00 0.00 51.96 52.97 1xae s ALA 187 Cb -0.14 -3.39 0.71 0.00 0.00 0.00 0.00 23.12 20.31 1xae s ALA 187 CO -0.08 -1.37 1.74 0.87 0.00 0.00 0.00 175.76 176.92 1xae h LYS 188 N 0.22 0.00 -5.27 0.00 1.57 -0.90 -3.45 116.57 108.74 1xae h LYS 188 Ca -0.48 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 57.92 1xae h LYS 188 Cb 1.27 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.44 1xae h LYS 188 CO 0.53 0.29 -0.72 -1.54 -0.57 0.00 0.00 179.45 177.44 1xae s SER 189 N -6.28 2.12 -0.04 0.86 1.04 -1.26 -5.02 113.70 105.11 1xae s SER 189 Ca 0.01 -1.02 -0.33 0.00 0.48 0.00 0.00 55.95 55.09 1xae s SER 189 Cb 0.10 -0.06 -0.11 0.00 0.10 0.00 0.00 66.02 66.04 1xae s SER 189 CO 0.66 -0.27 1.87 1.33 0.98 0.00 0.00 173.24 177.81 1xae n VAL 190 N -0.28 0.56 -1.96 5.02 0.24 -1.26 -4.88 118.33 115.76 1xae n VAL 190 Ca -0.09 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.34 61.69 1xae n VAL 190 Cb 0.61 -1.93 -0.03 0.00 -1.47 0.00 0.00 33.84 31.02 1xae n VAL 190 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1xae s PRO 191 N 3.82 4.23 0.14 7.34 0.04 -1.26 -4.92 135.00 144.40 1xae s PRO 191 Ca 0.91 2.34 -0.13 0.00 0.04 0.00 0.00 61.00 64.16 1xae s PRO 191 Cb -0.64 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 30.77 1xae s PRO 191 CO 0.48 -0.54 1.59 1.03 0.04 0.00 0.00 177.00 179.61 1xae h SER 192 N 6.09 0.83 -4.85 6.66 0.87 -1.93 -3.45 113.55 117.78 1xae h SER 192 Ca -0.44 -0.31 -0.21 0.00 -1.23 0.00 0.00 61.79 59.60 1xae h SER 192 Cb 1.21 -0.22 -0.15 0.00 -0.44 0.00 0.00 62.40 62.80 1xae h SER 192 CO 0.86 0.94 -0.68 -0.54 -0.53 0.00 0.00 176.83 176.88 1xae s LYS 193 N -5.00 0.88 0.08 2.24 3.01 -1.26 -5.17 119.74 114.53 1xae s LYS 193 Ca -0.12 -1.39 0.10 0.00 -1.01 0.00 0.00 55.97 53.54 1xae s LYS 193 Cb 0.11 -0.06 -0.03 0.00 -1.01 0.00 0.00 37.83 36.84 1xae s LYS 193 CO 0.82 -0.11 -0.25 -1.64 0.51 0.00 0.00 175.35 174.67 1xae s MET 194 N -3.91 1.54 0.81 1.68 -1.94 -1.26 -4.94 119.30 111.28 1xae s MET 194 Ca 0.16 -1.18 -0.08 0.00 -1.71 0.00 0.00 55.69 52.89 1xae s MET 194 Cb 0.06 -1.84 0.17 0.00 2.01 0.00 0.00 34.83 35.24 1xae s MET 194 CO -0.02 0.46 1.11 -0.35 -0.01 0.00 0.00 175.02 176.20 1xae n PRO 195 N 1.41 -0.64 -3.91 2.03 -0.04 -1.26 -4.87 135.00 127.72 1xae n PRO 195 Ca -0.18 -2.29 -0.21 0.00 -0.04 0.00 0.00 63.50 60.78 1xae n PRO 195 Cb 0.53 -0.96 -0.03 0.00 -0.04 0.00 0.00 33.50 33.00 1xae n PRO 195 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1xae s GLU 196 N -5.36 3.09 0.37 0.54 2.12 -1.26 -4.70 118.70 113.50 1xae s GLU 196 Ca 0.67 -0.99 -0.28 0.00 0.36 0.00 0.00 54.97 54.73 1xae s GLU 196 Cb -0.03 -2.70 -0.11 0.00 0.26 0.00 0.00 34.13 31.55 1xae s GLU 196 CO 0.46 0.30 1.46 -2.67 -0.54 0.00 0.00 175.26 174.27 1xae n TRP 197 N -1.36 2.86 -3.71 5.30 4.27 -1.26 -4.80 117.44 118.74 1xae n TRP 197 Ca -0.06 0.46 -0.08 0.00 -3.89 0.00 0.00 57.50 53.93 1xae n TRP 197 Cb 0.58 -2.51 -0.00 0.00 -1.36 0.00 0.00 31.31 28.01 1xae n TRP 197 CO 0.00 0.00 0.00 -2.39 -2.29 0.00 0.00 177.69 173.01 1xae n HIS 198 N 0.47 -1.52 -4.39 -2.67 1.44 -0.28 -4.90 115.22 103.37 1xae n HIS 198 Ca 0.02 -1.41 -0.24 0.00 -2.01 0.00 0.00 57.72 54.09 1xae n HIS 198 Cb 0.38 0.49 -0.09 0.00 0.12 0.00 0.00 29.99 30.90 1xae n HIS 198 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xae s PHE 199 N -4.05 2.47 -0.11 -1.40 0.40 0.09 -0.53 117.98 114.84 1xae s PHE 199 Ca 0.15 -0.28 -0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1xae s PHE 199 Cb -0.02 -1.08 0.03 0.00 0.51 0.00 0.00 43.02 42.46 1xae s PHE 199 CO 0.11 0.67 -0.01 0.42 0.70 0.00 0.00 175.22 177.12 1xae s ILE 200 N -2.41 0.55 -0.12 0.64 1.01 0.11 -1.19 121.20 119.79 1xae s ILE 200 Ca 0.30 -0.13 -0.14 0.00 0.00 0.00 0.00 60.65 60.69 1xae s ILE 200 Cb -0.06 -0.76 -0.05 0.00 0.01 0.00 0.00 42.46 41.60 1xae s ILE 200 CO 0.17 0.17 0.32 -1.10 0.00 0.00 0.00 174.94 174.50 1xae s GLN 201 N 1.89 4.11 0.10 2.79 -0.21 -0.80 0.22 119.66 127.76 1xae s GLN 201 Ca 0.03 0.17 0.04 0.00 0.02 0.00 0.00 55.36 55.63 1xae s GLN 201 Cb -0.13 -3.36 -0.04 0.00 1.00 0.00 0.00 33.01 30.48 1xae s GLN 201 CO -0.06 0.38 -0.11 -1.01 -2.12 0.00 0.00 175.29 172.37 1xae s HIS 202 N 0.01 1.11 -0.17 0.91 3.76 -0.41 -1.95 115.29 118.54 1xae s HIS 202 Ca 0.19 -0.65 -0.03 0.00 -0.15 0.00 0.00 55.06 54.42 1xae s HIS 202 Cb -0.14 -0.60 0.06 0.00 1.11 0.00 0.00 32.58 33.01 1xae s HIS 202 CO 0.06 0.02 0.05 0.21 -0.85 0.00 0.00 174.74 174.23 1xae s LYS 203 N -2.81 0.50 -0.07 1.40 2.20 -0.23 -0.60 119.74 120.14 1xae s LYS 203 Ca 0.06 -0.27 0.04 0.00 -0.36 0.00 0.00 55.97 55.44 1xae s LYS 203 Cb -0.03 -1.90 0.00 0.00 -1.51 0.00 0.00 37.83 34.39 1xae s LYS 203 CO 0.00 -0.61 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.02 1xae s LEU 204 N 1.94 1.92 0.19 5.43 2.96 -1.26 -1.22 118.68 128.64 1xae s LEU 204 Ca 0.00 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.55 1xae s LEU 204 Cb -0.16 -1.12 -0.05 0.00 0.50 0.00 0.00 46.19 45.36 1xae s LEU 204 CO -0.08 0.14 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.23 1xae s LEU 205 N 0.24 2.49 -0.07 -0.68 1.43 -0.42 -4.20 118.68 117.49 1xae s LEU 205 Ca -0.11 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 1xae s LEU 205 Cb -0.15 -0.46 0.02 0.00 0.03 0.00 0.00 46.19 45.64 1xae s LEU 205 CO 0.05 -0.31 -0.04 -0.60 0.23 0.00 0.00 176.35 175.68 1xae s ARG 206 N -3.73 0.96 -0.26 1.70 3.52 -1.26 -2.12 118.95 117.76 1xae s ARG 206 Ca 0.21 -0.10 -0.01 0.00 -0.13 0.00 0.00 55.73 55.71 1xae s ARG 206 Cb 0.02 -1.05 0.04 0.00 -1.56 0.00 0.00 34.95 32.40 1xae s ARG 206 CO 0.04 -0.17 -0.07 -2.00 -0.81 0.00 0.00 175.30 172.30 1xae s GLU 207 N 1.33 2.66 0.60 5.12 2.12 -0.45 -4.97 118.70 125.10 1xae s GLU 207 Ca -0.04 -1.09 -0.19 0.00 0.36 0.00 0.00 54.97 54.00 1xae s GLU 207 Cb -0.14 -2.98 -0.03 0.00 0.26 0.00 0.00 34.13 31.24 1xae s GLU 207 CO -0.02 -0.46 1.27 0.34 -0.54 0.00 0.00 175.26 175.84 1xae s ASP 208 N 1.27 5.01 -0.09 -1.70 3.68 -1.26 -0.43 116.67 123.14 1xae s ASP 208 Ca -0.02 2.56 0.14 0.00 2.13 0.00 0.00 52.55 57.36 1xae s ASP 208 Cb -0.18 -2.61 0.28 0.00 -1.45 0.00 0.00 42.92 38.96 1xae s ASP 208 CO -0.04 -1.73 1.16 0.54 0.13 0.00 0.00 175.17 175.22 1xae n ARG 209 N -1.56 0.45 -2.09 4.34 3.00 0.28 -4.80 116.66 116.28 1xae n ARG 209 Ca 0.14 -1.74 -0.31 0.00 -0.01 0.00 0.00 57.85 55.92 1xae n ARG 209 Cb 0.48 0.01 -0.01 0.00 0.00 0.00 0.00 32.46 32.95 1xae n ARG 209 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1xae s SER 210 N -1.77 6.39 0.00 0.55 0.01 -0.13 -4.14 113.70 114.61 1xae s SER 210 Ca 0.17 1.47 0.00 0.00 1.31 0.00 0.00 55.95 58.90 1xae s SER 210 Cb 0.25 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 64.00 1xae s SER 210 CO -0.08 -0.75 0.00 0.47 0.41 0.00 0.00 173.24 173.28 1xae n ASP 211 N -2.27 0.00 0.00 2.44 8.00 0.49 -4.87 116.55 120.34 1xae n ASP 211 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1xae n ASP 211 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1xae n ASP 211 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xae n ALA 212 N -3.00 0.00 -0.06 2.24 0.00 -1.26 -4.85 120.51 113.58 1xae n ALA 212 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1xae n ALA 212 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1xae n ALA 212 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1xae n LYS 213 N 0.00 1.61 -3.71 0.00 2.85 -1.26 -5.02 118.16 112.63 1xae n LYS 213 Ca 0.00 -0.02 -0.14 0.00 -1.05 0.00 0.00 58.31 57.10 1xae n LYS 213 Cb 0.04 -1.35 -0.08 0.00 -0.65 0.00 0.00 35.03 32.99 1xae n LYS 213 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1xae s ASN 214 N -4.56 -0.28 -0.36 -5.58 0.01 -1.26 -5.13 114.94 97.77 1xae s ASN 214 Ca -0.07 0.18 -0.16 0.00 -0.71 0.00 0.00 52.86 52.11 1xae s ASN 214 Cb 0.05 0.37 -0.00 0.00 0.41 0.00 0.00 41.25 42.07 1xae s ASN 214 CO 0.57 -0.51 0.39 -1.58 -1.51 0.00 0.00 177.10 174.46 1xae s GLN 215 N -1.48 3.46 0.05 -0.60 0.74 -1.26 -0.38 119.66 120.18 1xae s GLN 215 Ca -0.12 -0.48 0.01 0.00 0.05 0.00 0.00 55.36 54.82 1xae s GLN 215 Cb -0.04 -3.84 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 1xae s GLN 215 CO 0.04 -0.61 -0.06 0.15 -0.55 0.00 0.00 175.29 174.26 1xae s LYS 216 N 2.07 0.55 0.04 1.67 1.02 -1.26 -1.58 119.74 122.26 1xae s LYS 216 Ca 0.12 -0.90 -0.14 0.00 0.02 0.00 0.00 55.97 55.07 1xae s LYS 216 Cb -0.17 -0.11 0.02 0.00 -0.52 0.00 0.00 37.83 37.06 1xae s LYS 216 CO 0.12 -0.01 0.32 1.67 -0.92 0.00 0.00 175.35 176.53 1xae s TRP 217 N -2.20 -0.13 -0.10 3.18 -2.14 -0.65 0.98 118.94 117.88 1xae s TRP 217 Ca -0.05 0.02 -0.01 0.00 2.66 0.00 0.00 56.10 58.73 1xae s TRP 217 Cb -0.04 0.11 -0.03 0.00 -3.10 0.00 0.00 33.47 30.41 1xae s TRP 217 CO -0.02 -0.51 -0.07 -1.14 -2.66 0.00 0.00 176.95 172.55 1xae s GLN 218 N -2.49 3.13 0.08 3.25 0.74 0.42 0.08 119.66 124.88 1xae s GLN 218 Ca -0.05 -0.56 0.08 0.00 0.05 0.00 0.00 55.36 54.87 1xae s GLN 218 Cb -0.01 -2.69 -0.04 0.00 1.10 0.00 0.00 33.01 31.37 1xae s GLN 218 CO -0.03 0.46 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.48 1xae s LEU 219 N -0.26 2.66 -0.02 3.68 1.43 0.36 -1.34 118.68 125.19 1xae s LEU 219 Ca 0.04 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1xae s LEU 219 Cb -0.13 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.56 1xae s LEU 219 CO 0.03 0.21 0.06 -0.89 0.23 0.00 0.00 176.35 175.99 1xae s THR 220 N -1.05 -0.00 -0.11 5.49 2.01 -0.90 0.18 115.64 121.25 1xae s THR 220 Ca 0.17 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.09 1xae s THR 220 Cb -0.11 -0.10 0.04 0.00 0.01 0.00 0.00 72.50 72.34 1xae s THR 220 CO 0.08 0.00 0.28 -0.70 -0.69 0.00 0.00 174.62 173.59 1xae s GLU 221 N 0.05 0.30 -0.11 4.92 2.12 0.30 -1.29 118.70 124.99 1xae s GLU 221 Ca -0.00 0.47 0.01 0.00 0.36 0.00 0.00 54.97 55.80 1xae s GLU 221 Cb -0.01 0.06 0.02 0.00 0.26 0.00 0.00 34.13 34.46 1xae s GLU 221 CO 0.00 -0.09 -0.11 -1.58 -0.54 0.00 0.00 175.26 172.94 1xae s HIS 222 N 0.60 1.71 -0.01 5.30 5.65 -0.36 -1.64 115.29 126.54 1xae s HIS 222 Ca -0.04 -0.83 0.01 0.00 0.25 0.00 0.00 55.06 54.45 1xae s HIS 222 Cb -0.05 -1.31 0.00 0.00 -1.18 0.00 0.00 32.58 30.04 1xae s HIS 222 CO -0.04 -0.49 -0.03 0.00 -0.65 0.00 0.00 174.74 173.53 1xae s ALA 223 N 1.33 0.35 -0.04 1.58 0.00 -0.28 -1.06 121.76 123.64 1xae s ALA 223 Ca -0.01 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 51.86 1xae s ALA 223 Cb -0.14 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1xae s ALA 223 CO -0.05 0.06 -0.11 0.42 0.00 0.00 0.00 175.76 176.07 1xae s ILE 224 N 0.10 1.02 0.44 0.00 1.09 -0.82 -1.42 121.20 121.61 1xae s ILE 224 Ca -0.01 -0.46 -0.19 0.00 -1.10 0.00 0.00 60.65 58.90 1xae s ILE 224 Cb -0.04 -0.91 -0.10 0.00 -1.06 0.00 0.00 42.46 40.36 1xae s ILE 224 CO -0.00 0.31 0.94 0.00 -0.10 0.00 0.00 174.94 176.09 1xae s ALA 225 N 0.34 3.08 0.20 9.38 0.00 0.25 -1.91 121.76 133.11 1xae s ALA 225 Ca -0.07 0.28 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 1xae s ALA 225 Cb -0.12 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 19.94 1xae s ALA 225 CO 0.02 0.04 0.57 -0.06 0.00 0.00 0.00 175.76 176.32 1xae s PHE 226 N -2.30 -0.20 0.55 0.00 0.40 -0.34 -4.61 117.98 111.49 1xae s PHE 226 Ca 0.60 -0.14 0.04 0.00 -0.60 0.00 0.00 56.93 56.83 1xae s PHE 226 Cb -0.09 0.47 0.03 0.00 0.51 0.00 0.00 43.02 43.94 1xae s PHE 226 CO 0.19 -0.96 0.29 -1.25 0.70 0.00 0.00 175.22 174.19 1xae s PRO 227 N -3.86 2.23 0.21 0.24 0.04 -1.26 -0.73 135.00 131.87 1xae s PRO 227 Ca 0.08 -2.19 -0.30 0.00 0.04 0.00 0.00 61.00 58.63 1xae s PRO 227 Cb -0.02 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 1xae s PRO 227 CO -0.03 -0.61 1.29 0.45 0.04 0.00 0.00 177.00 178.15 1xae s SER 228 N -4.19 6.92 0.00 6.66 0.15 -1.26 -4.84 113.70 117.14 1xae s SER 228 Ca 0.22 2.39 0.28 0.00 0.70 0.00 0.00 55.95 59.55 1xae s SER 228 Cb -0.02 -2.61 1.66 0.00 -1.71 0.00 0.00 66.02 63.35 1xae s SER 228 CO 0.14 -0.50 2.01 0.00 1.20 0.00 0.00 173.24 176.09