#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xhb s ILE 2 N 0.00 4.77 -0.23 3.17 1.01 -1.26 -0.17 121.20 128.49 2xhb s ILE 2 Ca 0.00 2.03 0.02 0.00 0.00 0.00 0.00 60.65 62.70 2xhb s ILE 2 Cb 0.00 -4.30 -0.16 0.00 0.01 0.00 0.00 42.46 38.01 2xhb s ILE 2 CO 0.00 0.04 -0.20 0.18 0.00 0.00 0.00 174.94 174.96 2xhb n LEU 3 N 4.78 2.87 -3.46 2.97 4.77 -0.31 -1.21 117.00 127.42 2xhb n LEU 3 Ca 0.08 -0.12 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 2xhb n LEU 3 Cb 0.49 -0.78 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 2xhb n LEU 3 CO 0.52 0.88 0.49 -0.62 -1.33 0.00 0.00 177.39 177.33 2xhb s ASP 4 N -6.25 -0.50 0.02 -1.43 3.68 -1.23 -4.30 116.67 106.66 2xhb s ASP 4 Ca -0.31 -0.02 0.06 0.00 2.13 0.00 0.00 52.55 54.41 2xhb s ASP 4 Cb 0.08 0.54 -0.02 0.00 -1.45 0.00 0.00 42.92 42.07 2xhb s ASP 4 CO 0.55 -0.88 -0.17 0.42 0.13 0.00 0.00 175.17 175.23 2xhb s THR 5 N -3.57 1.35 0.00 1.71 -4.23 -1.26 -1.75 115.64 107.89 2xhb s THR 5 Ca 0.02 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 2xhb s THR 5 Cb -0.01 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.66 2xhb s THR 5 CO -0.11 0.21 0.00 -0.90 -0.54 0.00 0.00 174.62 173.27 2xhb n ASP 6 N 2.19 0.00 -4.04 3.99 5.75 -1.07 -4.88 116.55 118.48 2xhb n ASP 6 Ca -0.16 -0.99 -0.08 0.00 -0.01 0.00 0.00 54.79 53.55 2xhb n ASP 6 Cb 0.54 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.53 2xhb n ASP 6 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2xhb s TYR 7 N -3.28 0.41 0.18 2.11 -0.85 -1.26 -1.40 117.35 113.26 2xhb s TYR 7 Ca 0.00 -0.87 0.08 0.00 -0.52 0.00 0.00 57.07 55.76 2xhb s TYR 7 Cb 0.00 -0.31 -0.04 0.00 0.38 0.00 0.00 41.96 41.99 2xhb s TYR 7 CO 0.00 -0.34 -0.16 0.96 -1.52 0.00 0.00 175.55 174.50 2xhb s ILE 8 N -3.20 1.70 -0.26 -3.49 -4.36 -0.14 -4.93 121.20 106.52 2xhb s ILE 8 Ca 0.00 -2.05 -0.08 0.00 -0.26 0.00 0.00 60.65 58.26 2xhb s ILE 8 Cb 0.03 -1.91 -0.03 0.00 1.25 0.00 0.00 42.46 41.80 2xhb s ILE 8 CO -0.07 -0.48 0.10 -0.89 0.24 0.00 0.00 174.94 173.84 2xhb s THR 9 N -2.56 4.53 -0.17 8.37 2.01 -1.26 0.46 115.64 127.02 2xhb s THR 9 Ca 0.18 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.05 2xhb s THR 9 Cb -0.03 -3.16 0.03 0.00 0.01 0.00 0.00 72.50 69.35 2xhb s THR 9 CO 0.06 0.29 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.53 2xhb s GLU 10 N 1.64 2.34 -1.40 4.92 2.02 -0.41 -4.76 118.70 123.05 2xhb s GLU 10 Ca 0.06 -0.69 -0.09 0.00 0.02 0.00 0.00 54.97 54.27 2xhb s GLU 10 Cb -0.16 -2.28 0.03 0.00 0.10 0.00 0.00 34.13 31.83 2xhb s GLU 10 CO 0.05 -0.29 1.05 -0.25 0.02 0.00 0.00 175.26 175.85 2xhb n ASP 11 N 4.72 -4.86 0.00 -0.19 8.00 -1.26 -1.98 116.55 120.97 2xhb n ASP 11 Ca -0.17 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.67 2xhb n ASP 11 Cb 0.49 -4.55 0.00 0.00 -0.02 0.00 0.00 41.12 37.04 2xhb n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2xhb n GLY 12 N -1.77 0.81 3.57 0.44 0.00 -1.26 -5.01 105.19 101.97 2xhb n GLY 12 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2xhb n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xhb s LYS 13 N -0.23 3.14 0.13 1.61 1.02 -0.84 -4.63 119.74 119.93 2xhb s LYS 13 Ca 0.00 -0.51 -0.30 0.00 0.02 0.00 0.00 55.97 55.18 2xhb s LYS 13 Cb 0.00 -2.75 -0.07 0.00 -0.52 0.00 0.00 37.83 34.49 2xhb s LYS 13 CO 0.00 0.52 1.17 -1.25 -0.92 0.00 0.00 175.35 174.87 2xhb s PRO 14 N -0.39 4.49 -0.25 -1.68 0.04 -1.26 -1.29 135.00 134.65 2xhb s PRO 14 Ca 0.06 1.79 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 2xhb s PRO 14 Cb -0.12 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.15 2xhb s PRO 14 CO 0.02 -0.13 -0.08 0.08 0.04 0.00 0.00 177.00 176.94 2xhb s VAL 15 N 0.41 2.69 0.08 -0.36 1.01 0.17 -4.78 120.40 119.62 2xhb s VAL 15 Ca 0.55 -1.12 -0.31 0.00 0.00 0.00 0.00 61.98 61.10 2xhb s VAL 15 Cb -0.30 -2.38 -0.07 0.00 0.00 0.00 0.00 36.38 33.63 2xhb s VAL 15 CO 0.33 0.19 1.29 -0.63 0.00 0.00 0.00 175.10 176.27 2xhb s ILE 16 N 1.28 3.72 -0.20 2.22 -1.09 -0.40 -0.96 121.20 125.77 2xhb s ILE 16 Ca -0.01 1.23 -0.05 0.00 -2.23 0.00 0.00 60.65 59.59 2xhb s ILE 16 Cb -0.17 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 2xhb s ILE 16 CO -0.05 0.09 0.00 -0.13 -1.23 0.00 0.00 174.94 173.62 2xhb s ARG 17 N 1.14 3.65 -0.42 2.79 0.52 -0.49 -1.40 118.95 124.74 2xhb s ARG 17 Ca 0.61 -0.51 -0.07 0.00 -0.52 0.00 0.00 55.73 55.25 2xhb s ARG 17 Cb -0.33 -3.08 0.09 0.00 0.52 0.00 0.00 34.95 32.16 2xhb s ARG 17 CO 0.29 0.04 0.24 0.42 0.02 0.00 0.00 175.30 176.32 2xhb s ILE 18 N 0.92 3.86 0.02 1.52 1.01 0.43 -2.60 121.20 126.37 2xhb s ILE 18 Ca 0.01 -1.66 -0.30 0.00 0.00 0.00 0.00 60.65 58.70 2xhb s ILE 18 Cb -0.14 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 2xhb s ILE 18 CO 0.02 -0.58 1.22 -0.36 0.00 0.00 0.00 174.94 175.23 2xhb s PHE 19 N 1.32 3.32 0.07 3.97 0.08 -0.72 -1.65 117.98 124.37 2xhb s PHE 19 Ca 0.04 1.24 0.02 0.00 0.12 0.00 0.00 56.93 58.35 2xhb s PHE 19 Cb -0.23 -3.44 -0.03 0.00 -0.57 0.00 0.00 43.02 38.74 2xhb s PHE 19 CO -0.01 -1.38 -0.08 0.15 -0.10 0.00 0.00 175.22 173.80 2xhb s LYS 20 N 1.51 0.71 -0.37 0.44 1.02 0.03 -1.16 119.74 121.92 2xhb s LYS 20 Ca 0.58 -1.06 0.02 0.00 0.02 0.00 0.00 55.97 55.53 2xhb s LYS 20 Cb -0.28 -0.32 0.11 0.00 -0.52 0.00 0.00 37.83 36.82 2xhb s LYS 20 CO 0.27 0.03 0.14 0.21 -0.92 0.00 0.00 175.35 175.08 2xhb s LYS 21 N -2.67 1.21 -0.06 1.68 2.47 0.76 -1.69 119.74 121.43 2xhb s LYS 21 Ca 0.01 -1.71 0.05 0.00 -1.56 0.00 0.00 55.97 52.77 2xhb s LYS 21 Cb -0.03 -2.56 -0.01 0.00 -1.46 0.00 0.00 37.83 33.77 2xhb s LYS 21 CO -0.02 -1.03 -0.24 -1.21 0.16 0.00 0.00 175.35 173.02 2xhb s GLU 22 N 0.89 2.52 -1.41 4.03 2.02 -0.67 0.37 118.70 126.44 2xhb s GLU 22 Ca 0.13 -0.85 -0.07 0.00 0.02 0.00 0.00 54.97 54.19 2xhb s GLU 22 Cb -0.21 -2.09 0.04 0.00 0.10 0.00 0.00 34.13 31.97 2xhb s GLU 22 CO -0.11 0.32 0.55 0.09 0.02 0.00 0.00 175.26 176.13 2xhb n ASN 23 N 3.09 -4.89 0.00 -0.19 3.02 -1.26 -1.83 115.26 113.20 2xhb n ASN 23 Ca -0.18 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 2xhb n ASN 23 Cb 0.52 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.71 2xhb n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xhb n GLY 24 N -1.35 2.79 3.81 7.41 0.00 -1.26 -5.02 105.19 111.57 2xhb n GLY 24 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 2xhb n GLY 24 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2xhb s GLU 25 N -0.33 3.13 -0.25 1.61 -1.05 -0.76 -5.09 118.70 115.97 2xhb s GLU 25 Ca 0.00 -0.46 -0.21 0.00 -0.15 0.00 0.00 54.97 54.15 2xhb s GLU 25 Cb 0.00 -2.90 -0.02 0.00 -0.44 0.00 0.00 34.13 30.77 2xhb s GLU 25 CO 0.00 0.65 0.65 0.12 0.95 0.00 0.00 175.26 177.63 2xhb s PHE 26 N -1.23 3.29 0.04 4.83 5.36 -1.26 -1.67 117.98 127.34 2xhb s PHE 26 Ca 0.24 0.87 0.03 0.00 -0.96 0.00 0.00 56.93 57.11 2xhb s PHE 26 Cb -0.12 -2.86 -0.02 0.00 -0.34 0.00 0.00 43.02 39.68 2xhb s PHE 26 CO 0.15 -0.32 -0.11 -1.59 -1.46 0.00 0.00 175.22 171.90 2xhb s LYS 27 N 2.48 0.69 -0.36 10.12 -2.85 -0.68 -5.01 119.74 124.13 2xhb s LYS 27 Ca 0.27 -0.72 -0.10 0.00 -1.00 0.00 0.00 55.97 54.42 2xhb s LYS 27 Cb -0.15 -0.60 0.02 0.00 -2.06 0.00 0.00 37.83 35.04 2xhb s LYS 27 CO 0.08 0.14 0.19 0.42 0.10 0.00 0.00 175.35 176.28 2xhb s ILE 28 N -1.03 4.51 0.44 3.79 1.01 -1.26 -0.79 121.20 127.86 2xhb s ILE 28 Ca -0.03 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.74 2xhb s ILE 28 Cb -0.08 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2xhb s ILE 28 CO 0.01 -0.19 0.74 -1.81 0.00 0.00 0.00 174.94 173.69 2xhb s ASP 29 N 1.55 6.31 0.13 3.58 1.01 -0.66 -4.91 116.67 123.69 2xhb s ASP 29 Ca 0.02 0.88 0.07 0.00 0.71 0.00 0.00 52.55 54.23 2xhb s ASP 29 Cb -0.19 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 2xhb s ASP 29 CO 0.06 -0.49 -0.17 -0.31 0.21 0.00 0.00 175.17 174.47 2xhb s TYR 30 N -2.60 1.63 -0.05 4.23 1.51 -1.26 -0.43 117.35 120.38 2xhb s TYR 30 Ca 0.47 -0.48 -0.02 0.00 -1.01 0.00 0.00 57.07 56.02 2xhb s TYR 30 Cb -0.10 -0.85 0.04 0.00 -0.11 0.00 0.00 41.96 40.93 2xhb s TYR 30 CO 0.41 0.22 0.10 0.34 -1.11 0.00 0.00 175.55 175.51 2xhb s ASP 31 N -2.35 0.30 0.00 2.29 -1.08 -0.49 -4.98 116.67 110.36 2xhb s ASP 31 Ca 0.10 0.20 0.10 0.00 -0.52 0.00 0.00 52.55 52.43 2xhb s ASP 31 Cb -0.07 0.08 0.04 0.00 -1.46 0.00 0.00 42.92 41.52 2xhb s ASP 31 CO 0.05 -0.18 0.73 0.54 0.52 0.00 0.00 175.17 176.83 2xhb n ARG 32 N 4.59 1.16 -1.59 4.34 1.74 -1.26 -1.28 116.66 124.36 2xhb n ARG 32 Ca -0.19 -0.88 -0.06 0.00 -0.77 0.00 0.00 57.85 55.95 2xhb n ARG 32 Cb 0.51 -1.14 0.09 0.00 -1.02 0.00 0.00 32.46 30.90 2xhb n ARG 32 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2xhb n ASN 33 N 0.20 2.76 -4.72 0.55 4.13 -1.26 -4.94 115.26 111.97 2xhb n ASN 33 Ca 0.05 -3.29 -0.36 0.00 1.68 0.00 0.00 54.58 52.67 2xhb n ASN 33 Cb 0.23 -0.42 -0.08 0.00 -1.54 0.00 0.00 39.78 37.97 2xhb n ASN 33 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2xhb s PHE 34 N -2.99 3.42 -0.13 3.10 5.36 -1.26 -5.08 117.98 120.40 2xhb s PHE 34 Ca 0.40 0.46 -0.02 0.00 -0.96 0.00 0.00 56.93 56.82 2xhb s PHE 34 Cb 0.38 -2.28 -0.02 0.00 -0.34 0.00 0.00 43.02 40.76 2xhb s PHE 34 CO -0.04 0.23 -0.07 -1.21 -1.46 0.00 0.00 175.22 172.66 2xhb s GLU 35 N 0.53 3.40 0.59 10.12 2.02 -1.26 -4.93 118.70 129.16 2xhb s GLU 35 Ca 0.13 -0.58 -0.19 0.00 0.02 0.00 0.00 54.97 54.35 2xhb s GLU 35 Cb -0.12 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.31 2xhb s GLU 35 CO 0.02 0.32 1.18 -2.14 0.02 0.00 0.00 175.26 174.66 2xhb s PRO 36 N 0.12 3.04 0.13 0.39 0.02 -1.26 -4.92 135.00 132.51 2xhb s PRO 36 Ca -0.03 1.76 -0.19 0.00 0.02 0.00 0.00 61.00 62.55 2xhb s PRO 36 Cb -0.14 -1.95 0.05 0.00 0.02 0.00 0.00 34.50 32.48 2xhb s PRO 36 CO 0.03 -1.14 0.49 1.52 -0.33 0.00 0.00 177.00 177.58 2xhb s TYR 37 N -1.68 -0.36 0.40 6.54 -0.85 -1.26 -1.51 117.35 118.63 2xhb s TYR 37 Ca 0.76 0.13 0.04 0.00 -0.52 0.00 0.00 57.07 57.48 2xhb s TYR 37 Cb -0.28 0.38 -0.03 0.00 0.38 0.00 0.00 41.96 42.41 2xhb s TYR 37 CO 0.32 -0.74 0.13 0.96 -1.52 0.00 0.00 175.55 174.70 2xhb s ILE 38 N -3.57 0.61 0.24 -3.49 -4.36 -0.44 -4.84 121.20 105.34 2xhb s ILE 38 Ca 0.01 -2.00 0.11 0.00 -0.26 0.00 0.00 60.65 58.51 2xhb s ILE 38 Cb 0.00 -2.39 -0.05 0.00 1.25 0.00 0.00 42.46 41.28 2xhb s ILE 38 CO -0.11 0.00 -0.15 -0.31 0.24 0.00 0.00 174.94 174.61 2xhb s TYR 39 N -3.24 2.44 -0.14 1.37 2.02 -0.44 -0.50 117.35 118.86 2xhb s TYR 39 Ca 0.26 -0.30 -0.07 0.00 -0.37 0.00 0.00 57.07 56.59 2xhb s TYR 39 Cb 0.03 -1.12 0.05 0.00 -0.40 0.00 0.00 41.96 40.52 2xhb s TYR 39 CO 0.15 0.60 0.32 0.00 -1.57 0.00 0.00 175.55 175.06 2xhb s ALA 40 N -2.10 -0.78 -0.21 3.71 0.00 -0.37 -1.24 121.76 120.76 2xhb s ALA 40 Ca 0.27 1.24 -0.17 0.00 0.00 0.00 0.00 51.96 53.29 2xhb s ALA 40 Cb -0.07 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 2xhb s ALA 40 CO 0.15 -0.25 0.47 -1.17 0.00 0.00 0.00 175.76 174.96 2xhb s LEU 41 N 1.38 4.13 -0.08 0.00 2.96 -0.92 0.16 118.68 126.30 2xhb s LEU 41 Ca -0.09 0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 54.39 2xhb s LEU 41 Cb -0.10 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.94 2xhb s LEU 41 CO -0.10 -0.16 -0.02 -0.76 -1.32 0.00 0.00 176.35 173.98 2xhb s LEU 42 N 1.63 3.42 0.34 -0.68 1.43 -1.26 -0.67 118.68 122.89 2xhb s LEU 42 Ca 0.22 0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 2xhb s LEU 42 Cb -0.15 -1.77 0.63 0.00 0.03 0.00 0.00 46.19 44.92 2xhb s LEU 42 CO 0.09 0.36 1.85 0.11 0.23 0.00 0.00 176.35 178.99 2xhb h LYS 43 N 5.29 0.37 -2.67 1.70 1.57 -0.87 -3.42 116.57 118.53 2xhb h LYS 43 Ca -0.49 -0.10 -0.34 0.00 -1.87 0.00 0.00 60.65 57.85 2xhb h LYS 43 Cb 1.18 -0.04 -0.37 0.00 0.08 0.00 0.00 32.23 33.08 2xhb h LYS 43 CO 0.54 0.51 -0.65 0.34 -0.57 0.00 0.00 179.45 179.63 2xhb s ASP 44 N -6.82 1.51 0.63 0.86 3.68 -1.26 -5.03 116.67 110.24 2xhb s ASP 44 Ca -0.06 -0.25 0.35 0.00 2.13 0.00 0.00 52.55 54.72 2xhb s ASP 44 Cb 0.15 0.26 2.00 0.00 -1.45 0.00 0.00 42.92 43.88 2xhb s ASP 44 CO 0.76 -0.32 2.24 0.44 0.13 0.00 0.00 175.17 178.42 2xhb h ASP 45 N 8.34 0.00 0.16 -0.34 5.19 -1.95 -1.92 116.42 125.89 2xhb h ASP 45 Ca -0.16 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.24 2xhb h ASP 45 Cb 1.15 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 2xhb h ASP 45 CO 0.27 0.00 -0.06 -1.28 -3.12 0.00 0.00 179.24 175.06 2xhb h SER 46 N 0.00 0.00 -0.07 6.45 0.87 -1.99 -2.85 113.55 115.96 2xhb h SER 46 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2xhb h SER 46 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2xhb h SER 46 CO -0.00 0.06 0.00 0.00 -0.53 0.00 0.00 176.83 176.36 2xhb n ALA 47 N -2.31 2.57 0.21 6.23 0.00 -0.72 -4.19 120.51 122.30 2xhb n ALA 47 Ca -0.02 -0.29 0.05 0.00 0.00 0.00 0.00 53.44 53.17 2xhb n ALA 47 Cb 0.15 -1.22 0.48 0.00 0.00 0.00 0.00 19.45 18.86 2xhb n ALA 47 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2xhb h ILE 48 N 0.95 1.15 -0.35 0.00 6.09 -1.70 -1.51 117.51 122.13 2xhb h ILE 48 Ca 0.00 -0.71 -0.16 0.00 -1.37 0.00 0.00 64.86 62.63 2xhb h ILE 48 Cb 0.21 1.36 -0.00 0.00 0.47 0.00 0.00 36.82 38.85 2xhb h ILE 48 CO 0.00 0.20 -0.39 -0.33 -3.07 0.00 0.00 178.15 174.57 2xhb h GLU 49 N 0.02 0.89 -0.21 2.19 4.39 -1.85 0.15 114.58 120.16 2xhb h GLU 49 Ca 0.00 -0.48 -0.11 0.00 0.34 0.00 0.00 59.36 59.11 2xhb h GLU 49 Cb 0.36 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2xhb h GLU 49 CO 0.03 1.13 -0.35 0.22 -1.16 0.00 0.00 179.01 178.87 2xhb h ASP 50 N 0.69 0.47 -0.62 1.42 1.82 -1.77 -2.66 116.42 115.77 2xhb h ASP 50 Ca 0.05 -0.19 -0.07 0.00 -0.39 0.00 0.00 57.03 56.44 2xhb h ASP 50 Cb 0.98 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.83 2xhb h ASP 50 CO 0.09 0.78 0.13 0.58 -1.61 0.00 0.00 179.24 179.21 2xhb h VAL 51 N 0.38 1.25 0.00 2.25 2.07 -1.03 -1.91 116.25 119.26 2xhb h VAL 51 Ca 0.04 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.59 2xhb h VAL 51 Cb 0.80 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2xhb h VAL 51 CO 0.06 0.37 0.00 0.11 0.02 0.00 0.00 177.57 178.13 2xhb h LYS 52 N 0.98 0.00 -0.01 1.57 1.57 -0.40 -2.49 116.57 117.79 2xhb h LYS 52 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2xhb h LYS 52 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2xhb h LYS 52 CO 0.01 0.00 -0.33 1.63 -0.57 0.00 0.00 179.45 180.19 2xhb n LYS 53 N -3.04 0.57 -1.83 3.15 5.02 -0.73 -4.16 118.16 117.14 2xhb n LYS 53 Ca -0.02 -0.33 -0.42 0.00 -2.02 0.00 0.00 58.31 55.52 2xhb n LYS 53 Cb 0.11 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 2xhb n LYS 53 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2xhb s ILE 54 N -2.66 2.68 0.34 -0.18 1.01 -0.94 -5.00 121.20 116.45 2xhb s ILE 54 Ca 0.20 0.28 0.09 0.00 0.00 0.00 0.00 60.65 61.22 2xhb s ILE 54 Cb 0.19 -3.18 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 2xhb s ILE 54 CO 0.58 0.01 -0.00 0.28 0.00 0.00 0.00 174.94 175.80 2xhb s THR 55 N 2.26 2.61 0.20 2.92 -1.32 -1.26 -4.06 115.64 116.99 2xhb s THR 55 Ca 0.76 -2.00 -0.15 0.00 -1.21 0.00 0.00 61.69 59.09 2xhb s THR 55 Cb -0.44 -2.78 0.02 0.00 -1.51 0.00 0.00 72.50 67.79 2xhb s THR 55 CO 0.33 -0.21 0.48 0.00 -2.21 0.00 0.00 174.62 173.02 2xhb s ALA 56 N -2.52 -0.67 -0.11 11.08 0.00 -0.60 -4.99 121.76 123.95 2xhb s ALA 56 Ca 0.34 -0.46 -0.02 0.00 0.00 0.00 0.00 51.96 51.83 2xhb s ALA 56 Cb -0.00 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 2xhb s ALA 56 CO 0.19 -0.80 -0.03 -1.21 0.00 0.00 0.00 175.76 173.91 2xhb s GLU 57 N -3.92 3.19 -0.23 0.00 8.01 -1.26 -0.30 118.70 124.19 2xhb s GLU 57 Ca 0.13 -0.49 -0.01 0.00 0.01 0.00 0.00 54.97 54.60 2xhb s GLU 57 Cb -0.00 -2.78 0.07 0.00 -4.31 0.00 0.00 34.13 27.10 2xhb s GLU 57 CO 0.00 0.51 0.03 0.50 0.01 0.00 0.00 175.26 176.31 2xhb s ARG 58 N -0.37 0.91 -1.56 1.61 3.52 0.49 -4.77 118.95 118.77 2xhb s ARG 58 Ca 0.06 -0.73 -0.06 0.00 -0.13 0.00 0.00 55.73 54.88 2xhb s ARG 58 Cb -0.12 -2.21 0.05 0.00 -1.56 0.00 0.00 34.95 31.11 2xhb s ARG 58 CO 0.02 -0.72 0.35 0.72 -0.81 0.00 0.00 175.30 174.86 2xhb n HIS 59 N 4.90 -1.47 -2.00 5.12 8.25 -1.26 -0.46 115.22 128.29 2xhb n HIS 59 Ca -0.08 0.70 -0.16 0.00 -0.26 0.00 0.00 57.72 57.93 2xhb n HIS 59 Cb 0.45 -3.07 -0.03 0.00 1.12 0.00 0.00 29.99 28.46 2xhb n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xhb n GLY 60 N -2.01 0.37 3.32 -1.41 0.00 -1.26 -5.01 105.19 99.19 2xhb n GLY 60 Ca -0.21 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 2xhb n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xhb s THR 61 N -2.71 2.17 -0.16 2.61 2.01 0.39 -5.10 115.64 114.85 2xhb s THR 61 Ca 0.00 -1.06 -0.29 0.00 0.31 0.00 0.00 61.69 60.65 2xhb s THR 61 Cb 0.00 -1.76 -0.00 0.00 0.01 0.00 0.00 72.50 70.74 2xhb s THR 61 CO 0.00 0.58 1.04 -0.89 -0.69 0.00 0.00 174.62 174.66 2xhb s THR 62 N -0.56 4.70 -0.09 -0.82 2.01 -1.26 -0.38 115.64 119.23 2xhb s THR 62 Ca 0.08 2.00 -0.02 0.00 0.31 0.00 0.00 61.69 64.06 2xhb s THR 62 Cb -0.11 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 2xhb s THR 62 CO -0.00 -0.08 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.15 2xhb s VAL 63 N 2.57 4.21 0.16 3.82 1.01 0.59 -4.96 120.40 127.82 2xhb s VAL 63 Ca 0.47 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 2xhb s VAL 63 Cb -0.17 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.46 2xhb s VAL 63 CO 0.13 0.59 0.43 0.00 0.00 0.00 0.00 175.10 176.25 2xhb s ARG 64 N -0.76 1.21 -0.35 2.72 1.70 -1.26 -1.56 118.95 120.65 2xhb s ARG 64 Ca 0.12 -0.86 -0.29 0.00 -0.47 0.00 0.00 55.73 54.23 2xhb s ARG 64 Cb -0.11 0.47 0.01 0.00 -0.57 0.00 0.00 34.95 34.75 2xhb s ARG 64 CO 0.02 -0.48 1.21 0.08 -1.08 0.00 0.00 175.30 175.05 2xhb s VAL 65 N -3.86 4.24 0.06 4.99 1.01 -1.26 -4.67 120.40 120.91 2xhb s VAL 65 Ca 0.08 1.38 -0.15 0.00 0.00 0.00 0.00 61.98 63.29 2xhb s VAL 65 Cb 0.01 -4.32 -0.26 0.00 0.00 0.00 0.00 36.38 31.80 2xhb s VAL 65 CO -0.06 -0.60 1.14 0.58 0.00 0.00 0.00 175.10 176.15 2xhb h VAL 66 N 5.99 1.29 -2.73 2.92 2.07 -1.76 -3.47 116.25 120.55 2xhb h VAL 66 Ca -0.24 -2.34 -0.10 0.00 0.82 0.00 0.00 66.70 64.84 2xhb h VAL 66 Cb 1.08 2.56 -0.20 0.00 -1.52 0.00 0.00 31.29 33.21 2xhb h VAL 66 CO 1.06 0.72 -0.15 -0.60 0.02 0.00 0.00 177.57 178.62 2xhb s ARG 67 N -3.13 0.77 -0.04 1.57 3.52 -1.24 -5.01 118.95 115.38 2xhb s ARG 67 Ca -0.10 -0.03 0.01 0.00 -0.13 0.00 0.00 55.73 55.49 2xhb s ARG 67 Cb 0.06 0.35 0.02 0.00 -1.56 0.00 0.00 34.95 33.82 2xhb s ARG 67 CO 0.92 -0.22 -0.06 0.00 -0.81 0.00 0.00 175.30 175.14 2xhb s ALA 68 N -1.20 0.75 -0.04 6.12 0.00 -1.26 -0.98 121.76 125.14 2xhb s ALA 68 Ca -0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 2xhb s ALA 68 Cb -0.04 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.70 2xhb s ALA 68 CO 0.06 0.03 0.02 -2.00 0.00 0.00 0.00 175.76 173.86 2xhb s GLU 69 N 0.76 0.25 0.29 0.00 2.12 -0.92 -4.99 118.70 116.21 2xhb s GLU 69 Ca -0.11 0.16 -0.29 0.00 0.36 0.00 0.00 54.97 55.09 2xhb s GLU 69 Cb -0.14 -0.58 -0.10 0.00 0.26 0.00 0.00 34.13 33.58 2xhb s GLU 69 CO 0.01 -0.22 1.10 0.21 -0.54 0.00 0.00 175.26 175.81 2xhb s LYS 70 N 1.50 4.62 -0.06 4.30 2.20 -1.26 -0.70 119.74 130.33 2xhb s LYS 70 Ca -0.03 1.79 -0.05 0.00 -0.36 0.00 0.00 55.97 57.32 2xhb s LYS 70 Cb -0.13 -3.16 0.02 0.00 -1.51 0.00 0.00 37.83 33.05 2xhb s LYS 70 CO -0.03 0.20 0.16 0.08 -0.36 0.00 0.00 175.35 175.40 2xhb s VAL 71 N -1.19 -0.01 -0.31 4.02 1.01 -0.16 -4.90 120.40 118.86 2xhb s VAL 71 Ca 0.45 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 2xhb s VAL 71 Cb -0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2xhb s VAL 71 CO 0.40 0.01 0.21 -0.54 0.00 0.00 0.00 175.10 175.18 2xhb s LYS 72 N 0.23 3.64 0.48 2.72 -0.14 -1.26 -1.87 119.74 123.52 2xhb s LYS 72 Ca -0.01 -0.54 0.02 0.00 -1.36 0.00 0.00 55.97 54.08 2xhb s LYS 72 Cb -0.02 -3.72 -0.01 0.00 -1.68 0.00 0.00 37.83 32.39 2xhb s LYS 72 CO -0.01 -0.35 0.08 0.15 -0.76 0.00 0.00 175.35 174.47 2xhb s LYS 73 N 1.72 2.11 -0.11 1.68 1.02 -0.01 -4.98 119.74 121.17 2xhb s LYS 73 Ca 0.06 -2.34 0.02 0.00 0.02 0.00 0.00 55.97 53.73 2xhb s LYS 73 Cb -0.17 -1.00 -0.01 0.00 -0.52 0.00 0.00 37.83 36.13 2xhb s LYS 73 CO 0.10 -0.49 -0.18 0.15 -0.92 0.00 0.00 175.35 174.02 2xhb s LYS 74 N -3.77 3.21 -0.26 1.68 1.02 -1.05 -0.17 119.74 120.41 2xhb s LYS 74 Ca 0.12 -0.77 0.01 0.00 0.02 0.00 0.00 55.97 55.35 2xhb s LYS 74 Cb 0.01 -2.48 0.05 0.00 -0.52 0.00 0.00 37.83 34.89 2xhb s LYS 74 CO 0.08 0.21 -0.09 0.12 -0.92 0.00 0.00 175.35 174.75 2xhb s PHE 75 N 0.32 3.21 -1.35 3.18 5.36 0.79 -0.51 117.98 128.98 2xhb s PHE 75 Ca -0.14 -2.11 -0.01 0.00 -0.96 0.00 0.00 56.93 53.72 2xhb s PHE 75 Cb -0.17 -1.98 -0.00 0.00 -0.34 0.00 0.00 43.02 40.54 2xhb s PHE 75 CO 0.07 -0.85 0.57 1.28 -1.46 0.00 0.00 175.22 174.84 2xhb n LEU 76 N 4.51 -2.72 -1.17 6.12 4.77 -1.26 -2.35 117.00 124.90 2xhb n LEU 76 Ca -0.15 -0.91 -0.12 0.00 -0.03 0.00 0.00 56.01 54.81 2xhb n LEU 76 Cb 0.43 -2.46 -0.02 0.00 -2.33 0.00 0.00 43.42 39.04 2xhb n LEU 76 CO 0.23 0.42 -0.13 0.61 -1.33 0.00 0.00 177.39 177.18 2xhb n GLY 77 N -1.76 0.39 2.91 -0.72 0.00 -1.26 -4.66 105.19 100.09 2xhb n GLY 77 Ca -0.30 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 2xhb n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2xhb s ARG 78 N -4.00 0.07 0.35 1.61 0.52 -0.99 -5.13 118.95 111.37 2xhb s ARG 78 Ca 0.00 0.21 -0.28 0.00 -0.52 0.00 0.00 55.73 55.14 2xhb s ARG 78 Cb 0.00 -0.08 -0.12 0.00 0.52 0.00 0.00 34.95 35.27 2xhb s ARG 78 CO 0.00 -0.09 1.42 -2.30 0.02 0.00 0.00 175.30 174.35 2xhb n PRO 79 N 3.63 2.43 -3.81 3.54 -0.02 -1.26 -0.15 135.00 139.37 2xhb n PRO 79 Ca -0.20 0.86 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 2xhb n PRO 79 Cb 0.55 -2.53 -0.14 0.00 -0.02 0.00 0.00 33.50 31.36 2xhb n PRO 79 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2xhb s ILE 80 N -0.94 -0.02 -0.37 4.25 2.07 0.76 -4.77 121.20 122.17 2xhb s ILE 80 Ca 0.56 0.09 -0.09 0.00 -1.41 0.00 0.00 60.65 59.80 2xhb s ILE 80 Cb -0.52 -0.11 0.04 0.00 0.13 0.00 0.00 42.46 42.00 2xhb s ILE 80 CO 0.61 0.04 0.18 -1.61 -1.91 0.00 0.00 174.94 172.25 2xhb s GLU 81 N 0.51 2.70 0.43 3.50 2.02 -1.26 -0.83 118.70 125.77 2xhb s GLU 81 Ca -0.04 -1.20 0.06 0.00 0.02 0.00 0.00 54.97 53.81 2xhb s GLU 81 Cb -0.06 -3.64 -0.06 0.00 0.10 0.00 0.00 34.13 30.47 2xhb s GLU 81 CO -0.02 -0.74 0.01 0.14 0.02 0.00 0.00 175.26 174.67 2xhb s VAL 82 N 1.47 1.78 -0.23 2.63 -7.23 -0.78 -4.66 120.40 113.39 2xhb s VAL 82 Ca 0.01 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.13 2xhb s VAL 82 Cb -0.20 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.92 2xhb s VAL 82 CO 0.04 0.00 0.00 0.26 -0.31 0.00 0.00 175.10 175.10 2xhb s TRP 83 N -2.76 3.02 -0.50 2.82 0.52 0.12 -0.99 118.94 121.16 2xhb s TRP 83 Ca 0.28 -0.67 -0.29 0.00 0.02 0.00 0.00 56.10 55.44 2xhb s TRP 83 Cb 0.08 -2.15 0.03 0.00 -1.15 0.00 0.00 33.47 30.28 2xhb s TRP 83 CO 0.14 -0.43 1.17 0.21 0.02 0.00 0.00 176.95 178.07 2xhb s LYS 84 N 1.45 3.65 -0.32 4.98 2.20 0.12 -1.23 119.74 130.59 2xhb s LYS 84 Ca 0.05 0.49 -0.13 0.00 -0.36 0.00 0.00 55.97 56.02 2xhb s LYS 84 Cb -0.15 -3.94 -0.03 0.00 -1.51 0.00 0.00 37.83 32.20 2xhb s LYS 84 CO 0.00 -1.48 0.27 -0.51 -0.36 0.00 0.00 175.35 173.27 2xhb s LEU 85 N 4.66 4.35 0.37 5.43 1.43 0.34 -2.16 118.68 133.09 2xhb s LEU 85 Ca 0.47 -0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.28 2xhb s LEU 85 Cb -0.07 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 2xhb s LEU 85 CO 0.30 -0.21 0.68 -0.31 0.23 0.00 0.00 176.35 177.03 2xhb s TYR 86 N 1.83 3.49 0.32 0.29 1.51 -0.15 -1.33 117.35 123.32 2xhb s TYR 86 Ca 0.08 0.81 0.05 0.00 -1.01 0.00 0.00 57.07 57.01 2xhb s TYR 86 Cb -0.17 -2.26 -0.03 0.00 -0.11 0.00 0.00 41.96 39.39 2xhb s TYR 86 CO 0.11 -0.01 0.22 -0.06 -1.11 0.00 0.00 175.55 174.69 2xhb s PHE 87 N -2.31 1.66 -0.18 2.71 0.40 -0.57 -2.12 117.98 117.57 2xhb s PHE 87 Ca 0.47 -1.52 -0.17 0.00 -0.60 0.00 0.00 56.93 55.11 2xhb s PHE 87 Cb -0.10 -0.79 -0.13 0.00 0.51 0.00 0.00 43.02 42.51 2xhb s PHE 87 CO 0.33 -0.69 0.06 2.41 0.70 0.00 0.00 175.22 178.03 2xhb n THR 88 N -0.61 1.49 -4.33 0.64 -1.04 -1.26 -4.09 114.28 105.07 2xhb n THR 88 Ca 0.04 0.06 -0.30 0.00 -2.04 0.00 0.00 64.05 61.81 2xhb n THR 88 Cb 0.64 -2.17 -0.11 0.00 -1.82 0.00 0.00 70.33 66.86 2xhb n THR 88 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 2xhb s HIS 89 N -2.32 2.56 0.41 -1.42 5.65 -1.26 -4.46 115.29 114.45 2xhb s HIS 89 Ca -0.24 -0.25 0.25 0.00 0.25 0.00 0.00 55.06 55.08 2xhb s HIS 89 Cb 0.05 -1.37 1.35 0.00 -1.18 0.00 0.00 32.58 31.43 2xhb s HIS 89 CO 0.45 0.38 2.05 -1.00 -0.65 0.00 0.00 174.74 175.96 2xhb h PRO 90 N 3.80 0.00 0.00 2.88 0.13 -1.95 -1.95 132.00 134.91 2xhb h PRO 90 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2xhb h PRO 90 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2xhb h PRO 90 CO 0.47 0.14 0.00 1.04 -0.23 0.00 0.00 178.00 179.42 2xhb n GLN 91 N -3.74 0.17 0.21 0.86 1.13 -1.26 -2.32 117.38 112.44 2xhb n GLN 91 Ca -0.02 0.39 0.08 0.00 -1.94 0.00 0.00 57.00 55.51 2xhb n GLN 91 Cb 0.25 -1.82 0.47 0.00 0.11 0.00 0.00 30.24 29.25 2xhb n GLN 91 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2xhb h ASP 92 N 0.00 0.00 0.63 1.08 3.32 -1.76 -3.34 116.42 116.35 2xhb h ASP 92 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2xhb h ASP 92 Cb 0.36 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.92 2xhb h ASP 92 CO 0.00 0.28 -0.30 0.58 -1.72 0.00 0.00 179.24 178.07 2xhb h VAL 93 N 0.00 0.35 0.00 -1.35 2.07 -1.62 -1.83 116.25 113.87 2xhb h VAL 93 Ca -0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2xhb h VAL 93 Cb 0.69 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2xhb h VAL 93 CO 0.04 0.02 0.00 -0.81 0.02 0.00 0.00 177.57 176.83 2xhb n PRO 94 N -5.42 0.12 0.07 1.57 -0.04 -1.26 0.00 135.00 130.05 2xhb n PRO 94 Ca -0.13 0.30 -0.16 0.00 -0.04 0.00 0.00 63.50 63.47 2xhb n PRO 94 Cb 0.36 -1.70 -0.14 0.00 -0.04 0.00 0.00 33.50 31.97 2xhb n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2xhb h ALA 95 N 2.45 0.24 0.00 0.55 0.00 -1.62 -3.39 119.26 117.48 2xhb h ALA 95 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.86 2xhb h ALA 95 Cb 0.39 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2xhb h ALA 95 CO 0.00 1.11 -1.41 1.51 0.00 0.00 0.00 179.25 180.46 2xhb n ILE 96 N -3.46 0.00 -0.27 0.00 3.06 -0.71 -4.73 119.36 113.25 2xhb n ILE 96 Ca -0.14 -0.28 -0.07 0.00 -2.50 0.00 0.00 62.75 59.76 2xhb n ILE 96 Cb 1.03 0.35 -0.06 0.00 0.54 0.00 0.00 39.64 41.50 2xhb n ILE 96 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2xhb n ARG 97 N -1.83 -0.28 0.16 9.51 1.74 0.10 -2.42 116.66 123.64 2xhb n ARG 97 Ca -0.02 1.07 0.04 0.00 -0.77 0.00 0.00 57.85 58.17 2xhb n ARG 97 Cb 0.31 -1.58 0.18 0.00 -1.02 0.00 0.00 32.46 30.35 2xhb n ARG 97 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2xhb h ASP 98 N 0.00 0.00 0.34 0.55 5.19 -1.85 -2.56 116.42 118.09 2xhb h ASP 98 Ca 0.10 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.39 2xhb h ASP 98 Cb 0.26 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 2xhb h ASP 98 CO -0.60 0.45 -0.50 0.11 -3.12 0.00 0.00 179.24 175.57 2xhb h LYS 99 N 0.00 0.19 -0.29 3.56 1.57 -1.80 0.19 116.57 120.00 2xhb h LYS 99 Ca -0.00 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 2xhb h LYS 99 Cb 1.16 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2xhb h LYS 99 CO 0.06 0.66 -0.25 0.82 -0.57 0.00 0.00 179.45 180.17 2xhb h ILE 100 N 0.15 1.30 -0.34 1.86 2.04 -1.31 -2.64 117.51 118.58 2xhb h ILE 100 Ca 0.00 -1.40 -0.08 0.00 1.00 0.00 0.00 64.86 64.39 2xhb h ILE 100 Cb 0.95 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 2xhb h ILE 100 CO 0.08 0.45 -0.09 0.50 0.00 0.00 0.00 178.15 179.08 2xhb h LYS 101 N 0.42 0.66 0.00 2.37 3.64 -1.38 -2.85 116.57 119.44 2xhb h LYS 101 Ca 0.05 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2xhb h LYS 101 Cb 0.80 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2xhb h LYS 101 CO 0.06 0.83 0.07 0.93 -2.27 0.00 0.00 179.45 179.08 2xhb h GLU 102 N 0.45 0.00 -6.79 1.90 5.08 -0.61 -3.43 114.58 111.17 2xhb h GLU 102 Ca 0.09 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.92 2xhb h GLU 102 Cb 0.59 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.92 2xhb h GLU 102 CO 0.04 0.00 0.85 -1.58 -1.00 0.00 0.00 179.01 177.32 2xhb s HIS 103 N -4.06 2.81 0.30 4.33 2.46 -1.00 -4.91 115.29 115.22 2xhb s HIS 103 Ca -0.04 0.85 0.18 0.00 0.47 0.00 0.00 55.06 56.52 2xhb s HIS 103 Cb 0.11 -4.01 0.86 0.00 -0.13 0.00 0.00 32.58 29.42 2xhb s HIS 103 CO 0.36 -3.36 1.84 -1.35 -2.47 0.00 0.00 174.74 169.76 2xhb h PRO 104 N 4.87 0.00 0.00 2.88 0.11 -1.89 -2.06 132.00 135.92 2xhb h PRO 104 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2xhb h PRO 104 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2xhb h PRO 104 CO 0.79 0.32 0.00 0.00 -0.21 0.00 0.00 178.00 178.90 2xhb n ALA 105 N -2.35 2.20 -2.53 -0.75 0.00 -1.26 -4.77 120.51 111.04 2xhb n ALA 105 Ca -0.01 -0.03 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 2xhb n ALA 105 Cb 0.41 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.31 2xhb n ALA 105 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2xhb s VAL 106 N -3.10 5.22 0.02 0.00 1.01 -0.77 -0.11 120.40 122.67 2xhb s VAL 106 Ca 0.10 -0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.77 2xhb s VAL 106 Cb 0.13 -3.78 -0.17 0.00 0.00 0.00 0.00 36.38 32.56 2xhb s VAL 106 CO 0.55 -0.07 1.26 0.58 0.00 0.00 0.00 175.10 177.41 2xhb h VAL 107 N 5.53 1.39 -2.54 2.92 2.07 -1.18 -3.44 116.25 120.99 2xhb h VAL 107 Ca -0.30 -1.51 0.14 0.00 0.82 0.00 0.00 66.70 65.85 2xhb h VAL 107 Cb 1.15 2.11 -0.06 0.00 -1.52 0.00 0.00 31.29 32.97 2xhb h VAL 107 CO 0.67 0.44 0.43 -0.62 0.02 0.00 0.00 177.57 178.51 2xhb s ASP 108 N -6.24 -0.16 0.18 0.57 -1.08 -1.25 -5.04 116.67 103.65 2xhb s ASP 108 Ca -0.14 -0.53 0.10 0.00 -0.52 0.00 0.00 52.55 51.45 2xhb s ASP 108 Cb 0.04 0.57 -0.04 0.00 -1.46 0.00 0.00 42.92 42.03 2xhb s ASP 108 CO 0.76 -1.06 -0.21 0.27 0.52 0.00 0.00 175.17 175.45 2xhb s ILE 109 N -3.22 2.09 0.06 4.11 -4.36 -1.26 -2.18 121.20 116.44 2xhb s ILE 109 Ca 0.13 -1.97 0.03 0.00 -0.26 0.00 0.00 60.65 58.59 2xhb s ILE 109 Cb -0.03 -1.98 -0.03 0.00 1.25 0.00 0.00 42.46 41.68 2xhb s ILE 109 CO 0.04 -0.21 -0.10 -0.31 0.24 0.00 0.00 174.94 174.61 2xhb s TYR 110 N -1.83 0.85 -1.19 1.37 1.51 -0.38 -4.87 117.35 112.82 2xhb s TYR 110 Ca 0.18 -0.51 -0.16 0.00 -1.01 0.00 0.00 57.07 55.57 2xhb s TYR 110 Cb -0.07 -0.49 -0.01 0.00 -0.11 0.00 0.00 41.96 41.28 2xhb s TYR 110 CO 0.08 -0.04 0.74 0.39 -1.11 0.00 0.00 175.55 175.61 2xhb n GLU 111 N 1.31 -1.88 0.00 -0.62 1.02 -1.26 -1.32 120.64 117.88 2xhb n GLU 111 Ca -0.22 0.48 0.03 0.00 -0.02 0.00 0.00 57.16 57.44 2xhb n GLU 111 Cb 0.55 -4.35 0.02 0.00 -0.02 0.00 0.00 31.44 27.64 2xhb n GLU 111 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2xhb n TYR 112 N -4.18 0.00 -2.37 -0.32 0.18 -1.26 -4.48 117.16 104.73 2xhb n TYR 112 Ca -0.14 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.57 2xhb n TYR 112 Cb 0.61 0.00 0.05 0.00 -0.38 0.00 0.00 39.34 39.63 2xhb n TYR 112 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 2xhb n ASP 113 N 0.13 2.70 -4.40 9.48 5.75 -1.26 -4.83 116.55 124.12 2xhb n ASP 113 Ca 0.03 -2.83 -0.43 0.00 -0.01 0.00 0.00 54.79 51.56 2xhb n ASP 113 Cb 0.15 -0.41 -0.10 0.00 -1.03 0.00 0.00 41.12 39.74 2xhb n ASP 113 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2xhb s ILE 114 N -3.55 5.00 0.15 2.12 -1.09 -1.26 -5.06 121.20 117.51 2xhb s ILE 114 Ca 0.38 -0.90 -0.33 0.00 -2.23 0.00 0.00 60.65 57.56 2xhb s ILE 114 Cb 0.37 -3.87 -0.16 0.00 -1.58 0.00 0.00 42.46 37.21 2xhb s ILE 114 CO -0.03 -0.39 1.09 -2.65 -1.23 0.00 0.00 174.94 171.72 2xhb n PRO 115 N 5.11 0.87 -0.15 2.79 -0.02 -1.26 -4.63 135.00 137.70 2xhb n PRO 115 Ca -0.11 0.31 -0.03 0.00 -2.02 0.00 0.00 63.50 61.64 2xhb n PRO 115 Cb 0.45 -1.76 0.06 0.00 -0.02 0.00 0.00 33.50 32.23 2xhb n PRO 115 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2xhb h PHE 116 N 3.11 0.27 -0.16 6.00 3.57 -1.97 0.11 116.94 127.87 2xhb h PHE 116 Ca -0.43 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.05 2xhb h PHE 116 Cb 1.37 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 2xhb h PHE 116 CO 0.53 0.08 -0.11 0.00 -2.23 0.00 0.00 178.31 176.58 2xhb h ALA 117 N 1.33 1.53 0.08 2.41 0.00 -1.88 -0.70 119.26 122.03 2xhb h ALA 117 Ca 0.23 -0.19 -0.28 0.00 0.00 0.00 0.00 54.91 54.68 2xhb h ALA 117 Cb 0.26 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.98 2xhb h ALA 117 CO -0.25 0.34 -1.15 0.87 0.00 0.00 0.00 179.25 179.05 2xhb h LYS 118 N 0.24 0.54 -0.74 0.00 1.57 -1.53 -2.74 116.57 113.90 2xhb h LYS 118 Ca 0.05 -0.68 0.09 0.00 -1.87 0.00 0.00 60.65 58.23 2xhb h LYS 118 Cb 0.34 0.22 -0.07 0.00 0.08 0.00 0.00 32.23 32.81 2xhb h LYS 118 CO 0.02 1.29 0.40 -0.09 -0.57 0.00 0.00 179.45 180.49 2xhb h ARG 119 N 0.25 0.66 -0.11 3.15 9.65 -0.56 -1.90 114.38 125.52 2xhb h ARG 119 Ca -0.15 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.71 2xhb h ARG 119 Cb 1.82 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 30.24 2xhb h ARG 119 CO 0.21 0.43 0.01 -0.92 2.80 0.00 0.00 179.97 182.51 2xhb h TYR 120 N 0.68 0.01 -0.67 2.20 3.20 -1.09 -0.51 116.97 120.78 2xhb h TYR 120 Ca 0.36 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.29 2xhb h TYR 120 Cb 0.34 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 2xhb h TYR 120 CO -0.09 -0.00 0.38 -0.07 -1.64 0.00 0.00 178.16 176.74 2xhb h LEU 121 N 0.05 0.58 -0.11 2.82 3.38 -1.16 -1.42 115.31 119.45 2xhb h LEU 121 Ca 0.05 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2xhb h LEU 121 Cb 0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2xhb h LEU 121 CO -0.08 0.38 -0.05 0.40 0.09 0.00 0.00 178.44 179.18 2xhb h ILE 122 N 0.71 1.31 -0.27 1.22 2.04 -1.12 -1.46 117.51 119.95 2xhb h ILE 122 Ca 0.30 -1.04 -0.16 0.00 1.00 0.00 0.00 64.86 64.95 2xhb h ILE 122 Cb 0.16 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2xhb h ILE 122 CO -0.17 0.30 -0.47 0.44 0.00 0.00 0.00 178.15 178.25 2xhb h ASP 123 N -0.12 0.87 0.10 1.72 5.19 -0.90 -2.82 116.42 120.46 2xhb h ASP 123 Ca 0.03 -0.53 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2xhb h ASP 123 Cb 0.49 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.75 2xhb h ASP 123 CO 0.01 1.23 -0.00 0.29 -3.12 0.00 0.00 179.24 177.66 2xhb n LYS 124 N -4.11 0.91 -1.87 3.56 4.76 -0.55 -4.91 118.16 115.94 2xhb n LYS 124 Ca -0.05 -0.02 -0.14 0.00 -2.87 0.00 0.00 58.31 55.24 2xhb n LYS 124 Cb 0.58 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.24 2xhb n LYS 124 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2xhb n GLY 125 N 1.05 0.55 3.74 0.72 0.00 -1.07 -4.99 105.19 105.19 2xhb n GLY 125 Ca 0.22 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2xhb n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2xhb s LEU 126 N -3.63 4.58 -0.22 0.99 1.43 -0.57 -5.04 118.68 116.22 2xhb s LEU 126 Ca 0.00 1.86 -0.00 0.00 -1.03 0.00 0.00 54.13 54.96 2xhb s LEU 126 Cb 0.00 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.66 2xhb s LEU 126 CO 0.00 0.06 -0.13 -0.63 0.23 0.00 0.00 176.35 175.88 2xhb s ILE 127 N -0.63 2.46 0.66 -0.59 -1.09 -1.26 -4.68 121.20 116.07 2xhb s ILE 127 Ca 0.43 -1.01 -0.14 0.00 -2.23 0.00 0.00 60.65 57.70 2xhb s ILE 127 Cb -0.25 -2.17 -0.00 0.00 -1.58 0.00 0.00 42.46 38.46 2xhb s ILE 127 CO 0.31 0.34 1.08 -2.84 -1.23 0.00 0.00 174.94 172.60 2xhb s PRO 128 N 1.29 2.96 -1.62 2.79 0.02 -1.26 -4.03 135.00 135.15 2xhb s PRO 128 Ca 0.02 1.19 0.00 0.00 0.02 0.00 0.00 61.00 62.23 2xhb s PRO 128 Cb -0.15 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.38 2xhb s PRO 128 CO -0.08 -1.10 0.00 -1.33 -0.33 0.00 0.00 177.00 174.16 2xhb n MET 129 N -2.58 -1.38 -3.63 5.54 2.81 -0.35 -3.73 117.12 113.81 2xhb n MET 129 Ca 0.09 0.93 -0.36 0.00 -1.81 0.00 0.00 57.70 56.55 2xhb n MET 129 Cb 0.53 -5.36 -0.06 0.00 -0.71 0.00 0.00 33.22 27.62 2xhb n MET 129 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2xhb s GLU 130 N -4.56 3.74 0.37 0.03 2.12 -1.26 -4.80 118.70 114.35 2xhb s GLU 130 Ca 0.00 0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.51 2xhb s GLU 130 Cb 0.00 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.26 2xhb s GLU 130 CO 0.00 0.66 0.00 0.41 -0.54 0.00 0.00 175.26 175.79 2xhb n GLY 131 N 1.46 -1.82 3.12 -1.50 0.00 -1.26 -4.51 105.19 100.68 2xhb n GLY 131 Ca -0.13 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 2xhb n GLY 131 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2xhb s ASP 132 N -4.00 5.58 -0.05 1.61 -1.08 -1.26 -4.99 116.67 112.48 2xhb s ASP 132 Ca 0.00 -3.12 -0.02 0.00 -0.52 0.00 0.00 52.55 48.89 2xhb s ASP 132 Cb 0.00 -1.90 0.03 0.00 -1.46 0.00 0.00 42.92 39.59 2xhb s ASP 132 CO 0.00 -0.33 0.06 -1.61 0.52 0.00 0.00 175.17 173.81 2xhb s GLU 133 N -0.45 -0.06 -0.28 4.34 0.41 -1.26 -5.00 118.70 116.39 2xhb s GLU 133 Ca 0.20 0.36 -0.29 0.00 -0.41 0.00 0.00 54.97 54.83 2xhb s GLU 133 Cb -0.15 -0.58 0.01 0.00 -1.78 0.00 0.00 34.13 31.63 2xhb s GLU 133 CO -0.06 -0.34 1.19 -1.83 -0.49 0.00 0.00 175.26 173.72 2xhb s GLU 134 N 2.17 4.04 -0.01 1.61 -1.05 -1.26 -5.02 118.70 119.18 2xhb s GLU 134 Ca 0.05 1.24 -0.19 0.00 -0.15 0.00 0.00 54.97 55.92 2xhb s GLU 134 Cb -0.12 -3.79 -0.05 0.00 -0.44 0.00 0.00 34.13 29.72 2xhb s GLU 134 CO -0.03 -0.94 0.55 -0.51 0.95 0.00 0.00 175.26 175.28 2xhb s LEU 135 N 3.88 4.42 0.19 1.83 1.43 -1.26 -5.04 118.68 124.13 2xhb s LEU 135 Ca 0.51 1.10 -0.26 0.00 -1.03 0.00 0.00 54.13 54.46 2xhb s LEU 135 Cb -0.15 -2.85 -0.08 0.00 0.03 0.00 0.00 46.19 43.14 2xhb s LEU 135 CO 0.18 0.14 0.81 -0.75 0.23 0.00 0.00 176.35 176.95 2xhb s LYS 136 N -0.31 4.60 0.03 1.70 2.20 -1.26 -4.94 119.74 121.75 2xhb s LYS 136 Ca 0.29 1.20 0.03 0.00 -0.36 0.00 0.00 55.97 57.13 2xhb s LYS 136 Cb -0.18 -3.22 -0.02 0.00 -1.51 0.00 0.00 37.83 32.91 2xhb s LYS 136 CO 0.16 0.54 -0.09 -1.64 -0.36 0.00 0.00 175.35 173.96 2xhb s MET 137 N -1.25 0.60 -0.03 4.03 -1.94 -1.26 -0.17 119.30 119.28 2xhb s MET 137 Ca 0.38 -0.61 0.01 0.00 -1.71 0.00 0.00 55.69 53.75 2xhb s MET 137 Cb -0.23 -0.48 0.02 0.00 2.01 0.00 0.00 34.83 36.15 2xhb s MET 137 CO 0.27 0.11 -0.01 -1.17 -0.01 0.00 0.00 175.02 174.20 2xhb s LEU 138 N -1.10 1.37 0.16 -0.03 2.96 -0.36 -4.70 118.68 116.98 2xhb s LEU 138 Ca -0.04 -0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 2xhb s LEU 138 Cb -0.07 -0.25 -0.05 0.00 0.50 0.00 0.00 46.19 46.32 2xhb s LEU 138 CO 0.00 -0.06 0.37 0.00 -1.32 0.00 0.00 176.35 175.34 2xhb s ALA 139 N 0.77 3.82 0.02 5.97 0.00 0.28 -0.43 121.76 132.18 2xhb s ALA 139 Ca -0.08 -0.67 -0.20 0.00 0.00 0.00 0.00 51.96 51.01 2xhb s ALA 139 Cb -0.11 -2.06 0.04 0.00 0.00 0.00 0.00 23.12 20.98 2xhb s ALA 139 CO -0.01 0.60 0.45 -0.59 0.00 0.00 0.00 175.76 176.20 2xhb s PHE 140 N -1.73 -0.33 0.11 0.00 -0.12 -0.88 -1.38 117.98 113.65 2xhb s PHE 140 Ca 0.40 0.41 -0.04 0.00 -0.05 0.00 0.00 56.93 57.65 2xhb s PHE 140 Cb -0.12 0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 42.48 2xhb s PHE 140 CO 0.27 -0.55 0.10 0.34 -0.05 0.00 0.00 175.22 175.33 2xhb s ASP 141 N -1.72 0.27 0.18 1.98 -1.08 -0.22 -4.62 116.67 111.46 2xhb s ASP 141 Ca -0.08 -0.98 0.07 0.00 -0.52 0.00 0.00 52.55 51.04 2xhb s ASP 141 Cb -0.02 0.31 -0.04 0.00 -1.46 0.00 0.00 42.92 41.71 2xhb s ASP 141 CO 0.01 -0.73 -0.14 0.27 0.52 0.00 0.00 175.17 175.11 2xhb s ILE 142 N -3.96 1.57 -0.12 4.11 -4.36 -1.26 -1.06 121.20 116.12 2xhb s ILE 142 Ca 0.15 -2.10 0.01 0.00 -0.26 0.00 0.00 60.65 58.45 2xhb s ILE 142 Cb 0.06 -1.92 0.02 0.00 1.25 0.00 0.00 42.46 41.87 2xhb s ILE 142 CO -0.04 -0.59 -0.13 -0.70 0.24 0.00 0.00 174.94 173.72 2xhb s GLU 143 N -3.48 2.08 0.11 0.37 2.56 -0.10 -4.98 118.70 115.26 2xhb s GLU 143 Ca 0.19 -0.49 0.06 0.00 0.00 0.00 0.00 54.97 54.73 2xhb s GLU 143 Cb -0.01 -1.88 -0.04 0.00 2.00 0.00 0.00 34.13 34.20 2xhb s GLU 143 CO 0.05 -0.16 -0.03 0.95 -0.56 0.00 0.00 175.26 175.51 2xhb s THR 144 N 1.29 3.79 -0.16 -1.70 -4.23 -1.26 0.11 115.64 113.48 2xhb s THR 144 Ca -0.01 -1.14 -0.25 0.00 -1.18 0.00 0.00 61.69 59.11 2xhb s THR 144 Cb -0.14 -2.82 -0.23 0.00 1.34 0.00 0.00 72.50 70.66 2xhb s THR 144 CO -0.06 0.08 0.57 0.25 -0.54 0.00 0.00 174.62 174.92 2xhb h LEU 145 N 3.35 0.00 0.00 4.79 6.46 -1.65 -3.45 115.31 124.81 2xhb h LEU 145 Ca -0.48 -0.81 0.00 0.00 -0.12 0.00 0.00 57.88 56.47 2xhb h LEU 145 Cb 1.17 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 2xhb h LEU 145 CO 0.57 1.11 0.00 1.21 -0.62 0.00 0.00 178.44 180.71 2xhb n GLU 151 N -4.57 0.00 -2.25 1.25 2.13 -1.26 -4.55 120.64 111.38 2xhb n GLU 151 Ca -0.16 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.25 2xhb n GLU 151 Cb 0.51 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.19 2xhb n GLU 151 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2xhb s PHE 152 N 0.00 3.31 -1.45 4.31 5.36 -1.26 -2.92 117.98 125.33 2xhb s PHE 152 Ca 0.00 1.12 -0.02 0.00 -0.96 0.00 0.00 56.93 57.08 2xhb s PHE 152 Cb 0.00 -3.58 0.00 0.00 -0.34 0.00 0.00 43.02 39.10 2xhb s PHE 152 CO 0.00 -1.93 0.22 0.00 -1.46 0.00 0.00 175.22 172.04 2xhb n ALA 153 N 3.58 -0.65 -0.06 11.12 0.00 -1.26 -4.91 120.51 128.32 2xhb n ALA 153 Ca 0.09 0.19 -0.18 0.00 0.00 0.00 0.00 53.44 53.54 2xhb n ALA 153 Cb 0.44 -2.56 -0.13 0.00 0.00 0.00 0.00 19.45 17.20 2xhb n ALA 153 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2xhb h GLU 154 N -0.49 0.06 -7.41 0.00 4.81 -1.93 -3.45 114.58 106.17 2xhb h GLU 154 Ca -0.44 -0.11 -0.50 0.00 -0.13 0.00 0.00 59.36 58.19 2xhb h GLU 154 Cb 1.31 0.04 0.07 0.00 0.63 0.00 0.00 28.75 30.81 2xhb h GLU 154 CO 0.50 1.05 0.40 0.20 -0.73 0.00 0.00 179.01 180.43 2xhb s GLY 155 N -4.59 1.63 0.53 1.92 0.00 -1.26 -5.07 107.32 100.48 2xhb s GLY 155 Ca -0.22 -0.29 -0.09 0.00 0.00 0.00 0.00 44.72 44.12 2xhb s GLY 155 CO 0.68 0.04 0.89 2.56 0.00 0.00 0.00 173.10 177.27 2xhb s PRO 156 N -5.27 3.62 -0.26 2.90 0.04 -1.26 -4.76 135.00 130.02 2xhb s PRO 156 Ca 0.57 0.50 -0.28 0.00 0.04 0.00 0.00 61.00 61.82 2xhb s PRO 156 Cb -0.11 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 32.19 2xhb s PRO 156 CO 0.52 -0.32 1.03 0.42 0.04 0.00 0.00 177.00 178.68 2xhb s ILE 157 N -2.85 4.65 0.06 0.56 1.01 -1.26 -1.78 121.20 121.58 2xhb s ILE 157 Ca 0.52 1.90 -0.15 0.00 0.00 0.00 0.00 60.65 62.91 2xhb s ILE 157 Cb -0.11 -4.32 -0.24 0.00 0.01 0.00 0.00 42.46 37.80 2xhb s ILE 157 CO 0.45 -0.25 1.15 -0.07 0.00 0.00 0.00 174.94 176.23 2xhb h LEU 158 N 9.59 0.83 -7.77 2.97 3.38 -0.65 -3.47 115.31 120.18 2xhb h LEU 158 Ca -0.20 -0.76 -0.15 0.00 0.09 0.00 0.00 57.88 56.87 2xhb h LEU 158 Cb 1.06 -0.26 -0.20 0.00 0.09 0.00 0.00 40.66 41.35 2xhb h LEU 158 CO 0.98 1.49 -0.51 -0.04 0.09 0.00 0.00 178.44 180.45 2xhb s MET 159 N -3.23 0.48 -0.18 1.13 -1.94 -1.00 -4.01 119.30 110.56 2xhb s MET 159 Ca -0.10 -0.44 -0.01 0.00 -1.71 0.00 0.00 55.69 53.43 2xhb s MET 159 Cb 0.06 0.20 0.05 0.00 2.01 0.00 0.00 34.83 37.14 2xhb s MET 159 CO 0.90 -0.11 -0.04 0.42 -0.01 0.00 0.00 175.02 176.18 2xhb s ILE 160 N -1.47 1.12 0.06 2.53 1.01 -0.36 -0.92 121.20 123.18 2xhb s ILE 160 Ca -0.14 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.79 2xhb s ILE 160 Cb -0.07 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 2xhb s ILE 160 CO 0.01 0.05 0.17 -0.94 0.00 0.00 0.00 174.94 174.23 2xhb s SER 161 N 1.62 6.09 0.07 3.58 1.04 -0.22 -0.55 113.70 125.32 2xhb s SER 161 Ca -0.01 0.18 -0.05 0.00 0.48 0.00 0.00 55.95 56.55 2xhb s SER 161 Cb -0.16 -1.81 -0.02 0.00 0.10 0.00 0.00 66.02 64.14 2xhb s SER 161 CO -0.07 0.18 0.10 -0.72 0.98 0.00 0.00 173.24 173.70 2xhb s TYR 162 N -1.46 0.30 -0.13 5.02 -0.85 -0.51 -1.06 117.35 118.66 2xhb s TYR 162 Ca 0.33 -0.76 -0.13 0.00 -0.52 0.00 0.00 57.07 55.98 2xhb s TYR 162 Cb -0.13 -0.19 0.04 0.00 0.38 0.00 0.00 41.96 42.05 2xhb s TYR 162 CO 0.26 -0.46 0.37 0.00 -1.52 0.00 0.00 175.55 174.19 2xhb s ALA 163 N -3.76 -0.91 0.00 9.51 0.00 -0.48 -0.60 121.76 125.52 2xhb s ALA 163 Ca 0.05 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2xhb s ALA 163 Cb 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.63 2xhb s ALA 163 CO -0.10 -0.18 0.00 -0.40 0.00 0.00 0.00 175.76 175.08 2xhb n ASP 164 N 2.72 0.00 -0.24 0.00 5.75 0.78 -0.56 116.55 125.00 2xhb n ASP 164 Ca -0.14 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.58 2xhb n ASP 164 Cb 0.57 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.74 2xhb n ASP 164 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2xhb h GLU 165 N 0.00 1.10 0.00 0.11 4.39 -2.02 -2.55 114.58 115.61 2xhb h GLU 165 Ca 0.00 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 2xhb h GLU 165 Cb 0.00 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.50 2xhb h GLU 165 CO 0.00 0.96 -0.04 0.93 -1.16 0.00 0.00 179.01 179.70 2xhb h GLU 166 N 1.05 0.00 0.00 2.33 5.08 -1.98 -3.48 114.58 117.57 2xhb h GLU 166 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2xhb h GLU 166 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2xhb h GLU 166 CO 0.00 0.04 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 2xhb n GLY 167 N -0.64 0.93 2.79 -3.84 0.00 -0.96 -5.08 105.19 98.39 2xhb n GLY 167 Ca -0.02 -1.88 -0.26 0.00 0.00 0.00 0.00 46.02 43.86 2xhb n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xhb s ALA 168 N -1.06 1.05 0.46 4.61 0.00 -1.26 -0.15 121.76 125.40 2xhb s ALA 168 Ca 0.00 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.44 2xhb s ALA 168 Cb 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 2xhb s ALA 168 CO 0.00 -0.87 0.11 1.03 0.00 0.00 0.00 175.76 176.03 2xhb s ARG 169 N 1.83 2.15 -0.00 0.00 0.52 0.23 -4.92 118.95 118.76 2xhb s ARG 169 Ca 0.01 -2.12 0.00 0.00 -0.52 0.00 0.00 55.73 53.10 2xhb s ARG 169 Cb -0.15 -1.76 0.00 0.00 0.52 0.00 0.00 34.95 33.56 2xhb s ARG 169 CO -0.07 -0.25 -0.01 0.08 0.02 0.00 0.00 175.30 175.07 2xhb s VAL 170 N -2.74 0.08 -0.22 3.52 1.01 -0.50 -1.43 120.40 120.12 2xhb s VAL 170 Ca 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 2xhb s VAL 170 Cb 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 36.38 36.34 2xhb s VAL 170 CO 0.15 0.03 -0.08 -0.63 0.00 0.00 0.00 175.10 174.57 2xhb s ILE 171 N 0.06 2.97 0.11 2.22 1.01 0.29 -0.01 121.20 127.85 2xhb s ILE 171 Ca -0.00 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.95 2xhb s ILE 171 Cb -0.01 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 2xhb s ILE 171 CO -0.00 0.39 -0.07 0.28 0.00 0.00 0.00 174.94 175.53 2xhb s THR 172 N 1.40 0.81 -0.45 2.92 -1.32 -0.78 -1.22 115.64 117.01 2xhb s THR 172 Ca 0.04 -1.96 0.03 0.00 -1.21 0.00 0.00 61.69 58.59 2xhb s THR 172 Cb -0.15 -1.72 0.45 0.00 -1.51 0.00 0.00 72.50 69.58 2xhb s THR 172 CO -0.06 -0.84 1.54 -2.67 -2.21 0.00 0.00 174.62 170.38 2xhb n TRP 173 N -0.08 2.96 -3.86 9.09 4.27 -1.26 -0.72 117.44 127.85 2xhb n TRP 173 Ca -0.12 -2.56 -0.11 0.00 -3.89 0.00 0.00 57.50 50.82 2xhb n TRP 173 Cb 0.61 -0.79 -0.10 0.00 -1.36 0.00 0.00 31.31 29.67 2xhb n TRP 173 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 2xhb s LYS 174 N -3.70 0.47 -0.38 -2.67 2.20 -1.26 -4.81 119.74 109.60 2xhb s LYS 174 Ca 0.57 -0.33 -0.28 0.00 -0.36 0.00 0.00 55.97 55.56 2xhb s LYS 174 Cb 0.45 0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.96 2xhb s LYS 174 CO 0.01 -0.11 1.66 1.21 -0.36 0.00 0.00 175.35 177.75 2xhb s ASN 175 N -1.26 6.02 -0.20 1.43 3.84 -1.26 -4.84 114.94 118.67 2xhb s ASN 175 Ca -0.13 1.06 0.01 0.00 0.21 0.00 0.00 52.86 54.01 2xhb s ASN 175 Cb -0.07 -2.53 0.04 0.00 -0.55 0.00 0.00 41.25 38.14 2xhb s ASN 175 CO 0.02 -1.65 -0.13 -0.63 -2.79 0.00 0.00 177.10 171.92 2xhb s ILE 176 N 6.46 1.86 -1.24 -5.21 1.01 -1.26 -5.06 121.20 117.76 2xhb s ILE 176 Ca 0.72 -1.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.08 2xhb s ILE 176 Cb -0.19 -1.86 0.06 0.00 0.01 0.00 0.00 42.46 40.49 2xhb s ILE 176 CO 0.32 0.24 1.68 -1.81 0.00 0.00 0.00 174.94 175.38 2xhb s ASP 177 N 1.31 6.75 0.04 3.58 1.01 -1.26 -4.81 116.67 123.28 2xhb s ASP 177 Ca -0.01 -2.22 0.02 0.00 0.71 0.00 0.00 52.55 51.05 2xhb s ASP 177 Cb -0.16 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.17 2xhb s ASP 177 CO -0.09 -1.27 -0.07 -0.76 0.21 0.00 0.00 175.17 173.19 2xhb s LEU 178 N 4.47 2.24 0.18 1.23 1.43 -1.26 -5.08 118.68 121.89 2xhb s LEU 178 Ca 0.52 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 2xhb s LEU 178 Cb 0.03 -0.15 0.09 0.00 0.03 0.00 0.00 46.19 46.19 2xhb s LEU 178 CO 0.04 -0.19 1.73 1.55 0.23 0.00 0.00 176.35 179.70 2xhb h PRO 179 N 4.60 0.98 0.00 1.29 0.13 -2.04 -2.88 132.00 134.08 2xhb h PRO 179 Ca -0.35 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2xhb h PRO 179 Cb 1.20 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2xhb h PRO 179 CO 0.41 0.84 0.00 2.48 -0.23 0.00 0.00 178.00 181.50 2xhb n TYR 180 N -4.39 0.00 -3.48 1.56 4.11 -1.26 -4.75 117.16 108.94 2xhb n TYR 180 Ca 0.04 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.52 2xhb n TYR 180 Cb 0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.43 2xhb n TYR 180 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2xhb s VAL 181 N -2.00 5.13 -0.22 -3.48 1.01 -1.09 -1.41 120.40 118.35 2xhb s VAL 181 Ca 0.39 -0.72 -0.26 0.00 0.00 0.00 0.00 61.98 61.39 2xhb s VAL 181 Cb 0.18 -3.87 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 2xhb s VAL 181 CO 0.30 -0.31 0.89 -1.81 0.00 0.00 0.00 175.10 174.17 2xhb s ASP 182 N 1.71 6.94 -0.21 3.32 -0.00 0.98 -4.80 116.67 124.61 2xhb s ASP 182 Ca 0.04 1.17 -0.13 0.00 -0.00 0.00 0.00 52.55 53.63 2xhb s ASP 182 Cb -0.19 -2.47 -0.05 0.00 -0.00 0.00 0.00 42.92 40.21 2xhb s ASP 182 CO 0.09 -0.52 0.27 -0.69 -0.00 0.00 0.00 175.17 174.32 2xhb s VAL 183 N 2.73 5.30 0.29 -1.27 1.01 -1.26 -1.86 120.40 125.34 2xhb s VAL 183 Ca 0.38 0.44 0.08 0.00 0.00 0.00 0.00 61.98 62.88 2xhb s VAL 183 Cb -0.16 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 2xhb s VAL 183 CO 0.09 0.33 -0.10 0.54 0.00 0.00 0.00 175.10 175.96 2xhb s VAL 184 N 0.97 1.97 -0.04 2.92 0.11 0.10 -4.99 120.40 121.45 2xhb s VAL 184 Ca 0.13 -2.20 -0.21 0.00 -2.93 0.00 0.00 61.98 56.78 2xhb s VAL 184 Cb -0.14 -2.46 -0.14 0.00 -1.53 0.00 0.00 36.38 32.11 2xhb s VAL 184 CO 0.05 -0.31 0.88 0.77 -3.33 0.00 0.00 175.10 173.17 2xhb h SER 185 N 2.21 -0.27 -4.27 3.54 4.64 -1.90 -3.38 113.55 114.12 2xhb h SER 185 Ca -0.40 -0.25 -0.35 0.00 -0.47 0.00 0.00 61.79 60.31 2xhb h SER 185 Cb 1.24 0.07 -0.14 0.00 -0.31 0.00 0.00 62.40 63.26 2xhb h SER 185 CO 0.67 0.22 -0.63 0.42 -0.87 0.00 0.00 176.83 176.64 2xhb s THR 186 N -3.62 0.72 0.27 2.95 -4.23 -1.26 -4.86 115.64 105.61 2xhb s THR 186 Ca -0.12 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.38 2xhb s THR 186 Cb 0.01 -2.51 0.26 0.00 1.34 0.00 0.00 72.50 71.60 2xhb s THR 186 CO 0.44 -0.14 1.83 -0.08 -0.54 0.00 0.00 174.62 176.13 2xhb h GLU 187 N 2.43 0.92 -0.35 3.99 4.81 -1.91 0.51 114.58 124.98 2xhb h GLU 187 Ca -0.38 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.81 2xhb h GLU 187 Cb 1.24 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2xhb h GLU 187 CO 0.63 0.61 0.20 -0.22 -0.73 0.00 0.00 179.01 179.50 2xhb h LYS 188 N 0.94 0.41 0.00 1.92 3.64 -1.96 -1.78 116.57 119.74 2xhb h LYS 188 Ca 0.46 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.76 2xhb h LYS 188 Cb 0.43 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2xhb h LYS 188 CO -0.26 0.27 -0.28 0.93 -2.27 0.00 0.00 179.45 177.85 2xhb h GLU 189 N 0.42 0.00 -0.13 1.90 4.39 -1.79 -1.21 114.58 118.16 2xhb h GLU 189 Ca 0.14 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 2xhb h GLU 189 Cb -0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2xhb h GLU 189 CO -0.06 0.28 0.05 1.98 -1.16 0.00 0.00 179.01 180.10 2xhb h MET 190 N 0.00 0.20 -0.16 2.33 4.05 -0.48 -0.41 114.93 120.46 2xhb h MET 190 Ca -0.00 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 2xhb h MET 190 Cb 0.80 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.56 2xhb h MET 190 CO 0.04 0.31 0.03 0.82 0.23 0.00 0.00 176.91 178.33 2xhb h ILE 191 N 0.05 1.21 -0.95 1.77 2.04 -1.07 -2.02 117.51 118.54 2xhb h ILE 191 Ca 0.04 -0.68 0.09 0.00 1.00 0.00 0.00 64.86 65.31 2xhb h ILE 191 Cb 0.18 1.36 -0.07 0.00 -0.74 0.00 0.00 36.82 37.55 2xhb h ILE 191 CO -0.00 0.21 0.60 0.11 0.00 0.00 0.00 178.15 179.06 2xhb h LYS 192 N 0.05 0.99 -0.51 2.37 1.57 -1.25 -1.10 116.57 118.70 2xhb h LYS 192 Ca 0.05 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2xhb h LYS 192 Cb 0.29 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2xhb h LYS 192 CO 0.00 0.66 0.01 -0.09 -0.57 0.00 0.00 179.45 179.46 2xhb h ARG 193 N 1.02 0.85 -0.09 3.15 9.65 -0.87 -2.05 114.38 126.04 2xhb h ARG 193 Ca 0.44 -0.23 -0.10 0.00 -1.10 0.00 0.00 59.98 58.99 2xhb h ARG 193 Cb 0.31 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 2xhb h ARG 193 CO -0.22 0.84 -0.38 0.35 2.80 0.00 0.00 179.97 183.36 2xhb h PHE 194 N 0.79 0.23 -0.52 2.20 3.57 -0.77 -2.62 116.94 119.82 2xhb h PHE 194 Ca 0.15 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 2xhb h PHE 194 Cb 0.46 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 2xhb h PHE 194 CO 0.03 0.56 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.57 2xhb h LEU 195 N 0.17 0.92 -0.05 0.59 3.38 -0.77 -2.69 115.31 116.85 2xhb h LEU 195 Ca 0.02 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.68 2xhb h LEU 195 Cb 0.75 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2xhb h LEU 195 CO 0.06 1.01 -0.02 0.11 0.09 0.00 0.00 178.44 179.69 2xhb h LYS 196 N 0.80 -0.01 -0.68 1.13 1.57 -1.25 -2.39 116.57 115.74 2xhb h LYS 196 Ca 0.14 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2xhb h LYS 196 Cb 0.56 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 2xhb h LYS 196 CO 0.03 -0.01 0.45 0.28 -0.57 0.00 0.00 179.45 179.63 2xhb h VAL 197 N -0.01 1.15 -0.05 0.50 2.07 -1.46 0.21 116.25 118.67 2xhb h VAL 197 Ca 0.03 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2xhb h VAL 197 Cb 0.05 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2xhb h VAL 197 CO -0.06 0.16 -0.03 0.58 0.02 0.00 0.00 177.57 178.24 2xhb h VAL 198 N 0.88 1.34 -0.03 2.57 2.07 -1.34 -0.80 116.25 120.93 2xhb h VAL 198 Ca 0.25 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 2xhb h VAL 198 Cb -0.05 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2xhb h VAL 198 CO -0.06 0.29 -0.26 0.11 0.02 0.00 0.00 177.57 177.67 2xhb h LYS 199 N -0.30 0.05 -0.03 1.57 6.56 -1.06 0.02 116.57 123.38 2xhb h LYS 199 Ca 0.01 -0.02 -0.14 0.00 -1.06 0.00 0.00 60.65 59.44 2xhb h LYS 199 Cb 0.47 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 32.14 2xhb h LYS 199 CO 0.01 0.31 -0.53 0.93 -2.06 0.00 0.00 179.45 178.11 2xhb h GLU 200 N 0.05 0.41 0.00 3.15 4.39 -0.54 -3.25 114.58 118.79 2xhb h GLU 200 Ca 0.01 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.30 2xhb h GLU 200 Cb 0.49 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2xhb h GLU 200 CO 0.04 1.06 0.00 0.87 -1.16 0.00 0.00 179.01 179.82 2xhb h LYS 201 N -0.08 0.00 -6.87 2.33 1.57 -1.08 -3.48 116.57 108.95 2xhb h LYS 201 Ca -0.06 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.15 2xhb h LYS 201 Cb 1.22 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.39 2xhb h LYS 201 CO 0.11 0.00 -0.94 -3.47 -0.57 0.00 0.00 179.45 174.58 2xhb n ASP 202 N -2.92 0.41 -4.77 0.86 2.03 -0.01 -4.91 116.55 107.23 2xhb n ASP 202 Ca 0.03 -1.18 -0.33 0.00 0.52 0.00 0.00 54.79 53.82 2xhb n ASP 202 Cb 0.42 -2.13 0.05 0.00 -0.72 0.00 0.00 41.12 38.74 2xhb n ASP 202 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2xhb s PRO 203 N -7.08 2.80 -0.02 -0.67 0.04 -1.26 -4.93 135.00 123.89 2xhb s PRO 203 Ca 0.01 1.45 0.04 0.00 0.04 0.00 0.00 61.00 62.54 2xhb s PRO 203 Cb -0.00 -1.95 -0.25 0.00 0.04 0.00 0.00 34.50 32.34 2xhb s PRO 203 CO 0.96 -1.26 0.76 -0.44 0.04 0.00 0.00 177.00 177.06 2xhb h ASP 204 N 0.13 0.19 -3.25 6.66 3.32 -0.91 -3.46 116.42 119.10 2xhb h ASP 204 Ca -0.47 -0.31 -0.65 0.00 0.02 0.00 0.00 57.03 55.61 2xhb h ASP 204 Cb 1.25 -0.06 -0.34 0.00 0.22 0.00 0.00 39.33 40.40 2xhb h ASP 204 CO 0.54 1.27 -0.86 -0.69 -1.72 0.00 0.00 179.24 177.78 2xhb s VAL 205 N -2.61 1.90 -0.28 -1.35 1.01 -0.91 0.09 120.40 118.24 2xhb s VAL 205 Ca -0.08 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 2xhb s VAL 205 Cb 0.08 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 2xhb s VAL 205 CO 0.83 0.52 0.15 -0.76 0.00 0.00 0.00 175.10 175.83 2xhb s LEU 206 N 0.75 3.89 -0.15 3.92 1.43 -0.66 -1.22 118.68 126.64 2xhb s LEU 206 Ca -0.10 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 2xhb s LEU 206 Cb -0.16 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 2xhb s LEU 206 CO 0.01 -0.10 0.21 -0.63 0.23 0.00 0.00 176.35 176.07 2xhb s ILE 207 N 1.67 5.37 0.24 -0.59 1.01 0.43 -1.38 121.20 127.95 2xhb s ILE 207 Ca 0.06 0.37 0.01 0.00 0.00 0.00 0.00 60.65 61.09 2xhb s ILE 207 Cb -0.16 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2xhb s ILE 207 CO 0.07 0.48 0.13 0.42 0.00 0.00 0.00 174.94 176.05 2xhb s THR 208 N -0.08 0.24 -0.26 2.92 -4.23 -1.04 -2.07 115.64 111.11 2xhb s THR 208 Ca 0.14 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.66 2xhb s THR 208 Cb -0.12 -2.55 0.07 0.00 1.34 0.00 0.00 72.50 71.24 2xhb s THR 208 CO 0.03 0.00 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.60 2xhb s TYR 209 N -3.90 2.71 -1.26 3.99 5.04 -1.26 -0.23 117.35 122.44 2xhb s TYR 209 Ca 0.38 -2.04 -0.04 0.00 -2.44 0.00 0.00 57.07 52.94 2xhb s TYR 209 Cb 0.07 -1.84 0.00 0.00 0.35 0.00 0.00 41.96 40.54 2xhb s TYR 209 CO 0.14 -0.83 0.49 -1.71 -1.34 0.00 0.00 175.55 172.30 2xhb n ASN 210 N 4.58 -5.25 0.26 4.32 5.15 -1.26 -4.93 115.26 118.12 2xhb n ASN 210 Ca -0.10 -0.23 0.15 0.00 -0.60 0.00 0.00 54.58 53.80 2xhb n ASN 210 Cb 0.43 -4.09 0.54 0.00 -0.53 0.00 0.00 39.78 36.13 2xhb n ASN 210 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2xhb h GLY 211 N -1.11 0.00 1.54 8.20 0.00 -1.96 -2.91 103.07 106.83 2xhb h GLY 211 Ca -0.43 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 2xhb h GLY 211 CO 0.46 0.00 0.02 -0.55 0.00 0.00 0.00 176.54 176.47 2xhb h ASP 212 N 0.00 0.54 -0.00 0.19 5.19 -1.91 -3.12 116.42 117.30 2xhb h ASP 212 Ca -0.00 -0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 2xhb h ASP 212 Cb 0.66 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 2xhb h ASP 212 CO 0.01 0.60 -0.07 0.59 -3.12 0.00 0.00 179.24 177.25 2xhb n ASN 213 N -4.28 2.28 0.00 6.45 3.02 -1.16 -4.21 115.26 117.36 2xhb n ASN 213 Ca 0.02 -3.20 0.00 0.00 -0.03 0.00 0.00 54.58 51.37 2xhb n ASN 213 Cb 0.24 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 2xhb n ASN 213 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2xhb n PHE 214 N -1.38 -1.50 0.02 3.10 7.35 -1.11 -5.00 117.46 118.95 2xhb n PHE 214 Ca 0.17 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.80 2xhb n PHE 214 Cb 0.65 0.30 -0.04 0.00 0.35 0.00 0.00 39.48 40.74 2xhb n PHE 214 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2xhb h ALA 215 N 0.40 -0.67 -0.59 3.13 0.00 -1.69 0.48 119.26 120.32 2xhb h ALA 215 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2xhb h ALA 215 Cb 0.00 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2xhb h ALA 215 CO 0.00 -0.73 0.26 0.74 0.00 0.00 0.00 179.25 179.52 2xhb h PHE 216 N -0.25 0.46 -0.60 0.00 0.04 -1.89 -0.81 116.94 113.88 2xhb h PHE 216 Ca 0.00 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 2xhb h PHE 216 Cb 0.27 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 2xhb h PHE 216 CO -0.41 0.16 0.24 0.00 -0.60 0.00 0.00 178.31 177.70 2xhb h ALA 217 N 1.37 0.78 0.09 2.45 0.00 -1.70 0.87 119.26 123.12 2xhb h ALA 217 Ca 0.28 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2xhb h ALA 217 Cb 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2xhb h ALA 217 CO -0.25 0.39 -0.04 -0.92 0.00 0.00 0.00 179.25 178.43 2xhb h TYR 218 N 0.83 -0.11 -0.92 0.00 5.03 -0.63 -2.57 116.97 118.59 2xhb h TYR 218 Ca 0.20 -0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.65 2xhb h TYR 218 Cb 0.21 0.04 -0.09 0.00 1.55 0.00 0.00 36.73 38.43 2xhb h TYR 218 CO 0.01 0.04 0.53 -0.07 -1.32 0.00 0.00 178.16 177.35 2xhb h LEU 219 N -0.24 0.70 -0.08 2.82 3.38 -0.84 -1.51 115.31 119.54 2xhb h LEU 219 Ca -0.01 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2xhb h LEU 219 Cb 0.20 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2xhb h LEU 219 CO 0.02 0.32 -0.10 0.11 0.09 0.00 0.00 178.44 178.88 2xhb h LYS 220 N 0.77 -0.12 0.00 1.13 1.79 -0.69 -2.15 116.57 117.29 2xhb h LYS 220 Ca 0.49 0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.84 2xhb h LYS 220 Cb 0.62 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.28 2xhb h LYS 220 CO -0.33 -0.08 -0.59 -0.22 -1.08 0.00 0.00 179.45 177.15 2xhb h LYS 221 N -0.13 0.00 -0.05 3.15 1.63 -0.90 0.38 116.57 120.64 2xhb h LYS 221 Ca 0.07 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.78 2xhb h LYS 221 Cb 0.22 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2xhb h LYS 221 CO -0.16 0.59 -0.32 0.00 -3.45 0.00 0.00 179.45 176.11 2xhb h ARG 222 N 0.00 0.31 -0.13 1.90 2.47 -1.35 -1.58 114.38 116.01 2xhb h ARG 222 Ca -0.01 -0.26 -0.02 0.00 -1.26 0.00 0.00 59.98 58.43 2xhb h ARG 222 Cb 1.12 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 2xhb h ARG 222 CO 0.08 0.92 -0.01 0.77 0.56 0.00 0.00 179.97 182.29 2xhb h SER 223 N -0.21 0.16 -0.40 7.04 0.02 -1.24 0.74 113.55 119.67 2xhb h SER 223 Ca -0.02 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 2xhb h SER 223 Cb 0.99 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 2xhb h SER 223 CO 0.07 0.21 0.05 -0.08 -1.14 0.00 0.00 176.83 175.93 2xhb h GLU 224 N 0.18 0.68 0.03 3.45 4.81 -0.19 0.15 114.58 123.69 2xhb h GLU 224 Ca 0.04 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 2xhb h GLU 224 Cb 0.14 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.45 2xhb h GLU 224 CO 0.00 0.73 -0.23 -0.22 -0.73 0.00 0.00 179.01 178.56 2xhb h LYS 225 N 0.52 0.11 0.00 1.92 1.63 -0.64 -3.32 116.57 116.79 2xhb h LYS 225 Ca 0.12 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2xhb h LYS 225 Cb 0.39 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2xhb h LYS 225 CO 0.01 1.01 0.00 1.28 -3.45 0.00 0.00 179.45 178.30 2xhb n LEU 226 N -4.49 0.00 -0.73 5.20 4.32 0.25 -4.91 117.00 116.64 2xhb n LEU 226 Ca -0.11 0.25 -0.03 0.00 -0.02 0.00 0.00 56.01 56.10 2xhb n LEU 226 Cb 0.55 -0.25 0.01 0.00 -1.62 0.00 0.00 43.42 42.10 2xhb n LEU 226 CO 0.38 -0.04 0.01 0.61 -1.22 0.00 0.00 177.39 177.13 2xhb n GLY 227 N 0.81 0.58 3.61 -0.72 0.00 -0.87 -5.01 105.19 103.59 2xhb n GLY 227 Ca 0.13 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 2xhb n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xhb s VAL 228 N -2.74 3.82 -0.52 1.61 1.01 -0.01 -5.05 120.40 118.52 2xhb s VAL 228 Ca 0.05 -0.48 -0.22 0.00 0.00 0.00 0.00 61.98 61.34 2xhb s VAL 228 Cb -0.02 -2.59 0.05 0.00 0.00 0.00 0.00 36.38 33.82 2xhb s VAL 228 CO 0.07 0.57 0.80 -1.59 0.00 0.00 0.00 175.10 174.94 2xhb s LYS 229 N -0.93 3.25 -1.20 2.72 0.00 -1.26 -4.31 119.74 118.02 2xhb s LYS 229 Ca 0.13 -0.50 -0.21 0.00 0.00 0.00 0.00 55.97 55.40 2xhb s LYS 229 Cb -0.11 -4.06 0.01 0.00 0.00 0.00 0.00 37.83 33.67 2xhb s LYS 229 CO 0.03 -1.34 1.78 0.12 0.00 0.00 0.00 175.35 175.94 2xhb s PHE 230 N 3.36 2.41 -0.41 1.78 5.36 -1.26 -4.93 117.98 124.29 2xhb s PHE 230 Ca 0.24 -0.69 -0.18 0.00 -0.96 0.00 0.00 56.93 55.34 2xhb s PHE 230 Cb -0.15 -4.46 0.02 0.00 -0.34 0.00 0.00 43.02 38.09 2xhb s PHE 230 CO 0.17 -1.63 0.49 0.42 -1.46 0.00 0.00 175.22 173.21 2xhb s ILE 231 N 6.94 5.02 -0.07 3.12 -1.09 -1.26 -4.13 121.20 129.73 2xhb s ILE 231 Ca 0.59 -0.16 0.04 0.00 -2.23 0.00 0.00 60.65 58.89 2xhb s ILE 231 Cb 0.01 -4.06 -0.05 0.00 -1.58 0.00 0.00 42.46 36.78 2xhb s ILE 231 CO 0.07 -0.43 0.11 0.18 -1.23 0.00 0.00 174.94 173.64 2xhb n LEU 232 N 5.76 0.07 -4.76 2.97 4.77 -1.22 -4.95 117.00 119.62 2xhb n LEU 232 Ca -0.06 -0.19 -0.36 0.00 -0.03 0.00 0.00 56.01 55.37 2xhb n LEU 232 Cb 0.48 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 2xhb n LEU 232 CO 0.47 0.02 0.83 -0.83 -1.33 0.00 0.00 177.39 176.55 2xhb s GLY 233 N -2.02 2.72 0.18 -0.72 0.00 -0.66 -4.91 107.32 101.92 2xhb s GLY 233 Ca -0.00 0.95 -0.01 0.00 0.00 0.00 0.00 44.72 45.65 2xhb s GLY 233 CO 0.15 1.35 1.45 3.21 0.00 0.00 0.00 173.10 179.27 2xhb h ARG 234 N 1.30 0.42 -0.00 2.90 3.08 -1.60 -3.03 114.38 117.46 2xhb h ARG 234 Ca -0.50 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.22 2xhb h ARG 234 Cb 1.27 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2xhb h ARG 234 CO 0.57 0.96 -0.07 -0.85 -1.07 0.00 0.00 179.97 179.51 2xhb n GLU 235 N -3.86 0.06 0.00 0.04 0.00 -1.26 -4.91 120.64 110.71 2xhb n GLU 235 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.11 2xhb n GLU 235 Cb 0.69 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.63 2xhb n GLU 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2xhb n GLY 236 N 1.47 1.44 3.93 -1.84 0.00 -1.14 -5.13 105.19 103.93 2xhb n GLY 236 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2xhb n GLY 236 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2xhb s SER 237 N -2.00 6.16 0.73 1.61 1.04 -1.26 -4.90 113.70 115.08 2xhb s SER 237 Ca 0.00 0.60 -0.11 0.00 0.48 0.00 0.00 55.95 56.92 2xhb s SER 237 Cb 0.00 -1.99 0.04 0.00 0.10 0.00 0.00 66.02 64.17 2xhb s SER 237 CO 0.00 -0.51 1.10 -1.61 0.98 0.00 0.00 173.24 173.20 2xhb s GLU 238 N -4.55 2.46 0.17 4.02 2.02 -1.26 -1.66 118.70 119.91 2xhb s GLU 238 Ca 0.45 0.22 -0.31 0.00 0.02 0.00 0.00 54.97 55.34 2xhb s GLU 238 Cb -0.10 -2.03 -0.10 0.00 0.10 0.00 0.00 34.13 32.00 2xhb s GLU 238 CO 0.40 -1.24 1.54 -2.14 0.02 0.00 0.00 175.26 173.84 2xhb s PRO 239 N -5.40 4.23 -0.26 0.39 0.02 -1.26 -4.75 135.00 127.98 2xhb s PRO 239 Ca 0.59 2.33 -0.18 0.00 0.02 0.00 0.00 61.00 63.76 2xhb s PRO 239 Cb -0.11 -3.16 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 2xhb s PRO 239 CO 0.49 -0.57 0.53 0.15 -0.33 0.00 0.00 177.00 177.28 2xhb s LYS 240 N 1.00 4.08 -0.50 5.54 -0.14 -0.68 -4.95 119.74 124.09 2xhb s LYS 240 Ca 0.68 0.37 -0.24 0.00 -1.36 0.00 0.00 55.97 55.42 2xhb s LYS 240 Cb -0.43 -3.65 0.03 0.00 -1.68 0.00 0.00 37.83 32.11 2xhb s LYS 240 CO 0.32 -0.35 0.89 0.42 -0.76 0.00 0.00 175.35 175.88 2xhb s ILE 241 N 2.29 4.48 0.71 2.17 1.01 -1.26 -1.78 121.20 128.83 2xhb s ILE 241 Ca 0.22 0.41 -0.01 0.00 0.00 0.00 0.00 60.65 61.27 2xhb s ILE 241 Cb -0.16 -4.46 0.12 0.00 0.01 0.00 0.00 42.46 37.98 2xhb s ILE 241 CO 0.09 -0.95 0.99 -1.10 0.00 0.00 0.00 174.94 173.97 2xhb s GLN 242 N 3.71 1.73 -0.19 2.79 -0.21 0.17 -4.92 119.66 122.74 2xhb s GLN 242 Ca 0.31 -1.06 -0.00 0.00 0.02 0.00 0.00 55.36 54.63 2xhb s GLN 242 Cb -0.12 -2.33 0.05 0.00 1.00 0.00 0.00 33.01 31.61 2xhb s GLN 242 CO 0.22 -1.41 -0.06 0.50 -2.12 0.00 0.00 175.29 172.41 2xhb s ARG 243 N -5.13 1.59 -1.15 2.91 3.52 -1.26 -2.57 118.95 116.85 2xhb s ARG 243 Ca 0.66 -0.70 -0.10 0.00 -0.13 0.00 0.00 55.73 55.46 2xhb s ARG 243 Cb -0.06 -2.25 0.24 0.00 -1.56 0.00 0.00 34.95 31.33 2xhb s ARG 243 CO 0.44 -0.48 1.31 -1.33 -0.81 0.00 0.00 175.30 174.43 2xhb n MET 244 N 4.79 3.62 0.00 5.12 2.81 0.15 -4.96 117.12 128.64 2xhb n MET 244 Ca -0.12 -4.23 0.00 0.00 -1.81 0.00 0.00 57.70 51.53 2xhb n MET 244 Cb 0.47 -2.71 0.00 0.00 -0.71 0.00 0.00 33.22 30.26 2xhb n MET 244 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2xhb n GLY 245 N 2.92 1.71 0.00 3.03 0.00 -1.26 -2.11 105.19 109.48 2xhb n GLY 245 Ca 0.29 0.40 0.11 0.00 0.00 0.00 0.00 46.02 46.82 2xhb n GLY 245 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2xhb n ASP 246 N 10.78 0.00 -4.05 1.61 3.85 -1.26 -4.86 116.55 122.62 2xhb n ASP 246 Ca 0.00 0.29 -0.15 0.00 -0.71 0.00 0.00 54.79 54.22 2xhb n ASP 246 Cb 0.00 -0.42 -0.10 0.00 -1.35 0.00 0.00 41.12 39.26 2xhb n ASP 246 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2xhb s ARG 247 N -2.83 1.37 0.35 0.11 1.70 -0.90 -5.18 118.95 113.58 2xhb s ARG 247 Ca 0.15 -1.75 0.07 0.00 -0.47 0.00 0.00 55.73 53.74 2xhb s ARG 247 Cb 0.15 0.17 -0.02 0.00 -0.57 0.00 0.00 34.95 34.67 2xhb s ARG 247 CO 0.38 -0.43 0.36 -0.06 -1.08 0.00 0.00 175.30 174.47 2xhb s PHE 248 N -3.92 2.90 -0.08 5.89 0.40 -1.26 0.30 117.98 122.21 2xhb s PHE 248 Ca 0.39 -0.32 -0.30 0.00 -0.60 0.00 0.00 56.93 56.09 2xhb s PHE 248 Cb 0.06 -1.93 0.09 0.00 0.51 0.00 0.00 43.02 41.75 2xhb s PHE 248 CO 0.15 0.06 0.80 0.00 0.70 0.00 0.00 175.22 176.94 2xhb s ALA 249 N -2.31 -1.83 -0.14 5.36 0.00 -1.06 -4.72 121.76 117.06 2xhb s ALA 249 Ca 0.44 1.39 0.01 0.00 0.00 0.00 0.00 51.96 53.80 2xhb s ALA 249 Cb -0.06 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.84 2xhb s ALA 249 CO 0.28 -0.37 -0.15 0.08 0.00 0.00 0.00 175.76 175.61 2xhb s VAL 250 N -1.28 1.57 -0.01 0.00 1.01 -1.26 0.44 120.40 120.87 2xhb s VAL 250 Ca -0.07 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 2xhb s VAL 250 Cb -0.00 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 2xhb s VAL 250 CO 0.06 0.46 0.25 -1.61 0.00 0.00 0.00 175.10 174.26 2xhb s GLU 251 N 1.31 3.57 -0.27 2.72 2.02 -0.73 -4.75 118.70 122.57 2xhb s GLU 251 Ca 0.01 -0.08 0.02 0.00 0.02 0.00 0.00 54.97 54.95 2xhb s GLU 251 Cb -0.14 -3.10 0.06 0.00 0.10 0.00 0.00 34.13 31.05 2xhb s GLU 251 CO -0.08 0.67 -0.09 0.08 0.02 0.00 0.00 175.26 175.86 2xhb s VAL 252 N -1.26 2.30 0.20 2.63 1.01 -1.26 -1.69 120.40 122.33 2xhb s VAL 252 Ca 0.26 -1.62 -0.32 0.00 0.00 0.00 0.00 61.98 60.30 2xhb s VAL 252 Cb -0.13 -2.36 -0.11 0.00 0.00 0.00 0.00 36.38 33.78 2xhb s VAL 252 CO 0.15 -0.06 1.63 -0.54 0.00 0.00 0.00 175.10 176.28 2xhb s LYS 253 N 1.12 4.17 0.00 2.72 -0.14 -1.26 -1.65 119.74 124.69 2xhb s LYS 253 Ca -0.08 2.49 0.00 0.00 -1.36 0.00 0.00 55.97 57.02 2xhb s LYS 253 Cb -0.20 -3.11 0.00 0.00 -1.68 0.00 0.00 37.83 32.85 2xhb s LYS 253 CO -0.04 -0.67 0.00 0.41 -0.76 0.00 0.00 175.35 174.29 2xhb n GLY 254 N 3.66 2.80 3.48 -3.33 0.00 -1.26 -1.59 105.19 108.94 2xhb n GLY 254 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2xhb n GLY 254 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2xhb s ARG 255 N -0.50 1.67 -0.37 1.61 0.52 -0.66 -4.85 118.95 116.37 2xhb s ARG 255 Ca 0.00 -1.83 -0.11 0.00 -0.52 0.00 0.00 55.73 53.27 2xhb s ARG 255 Cb 0.00 -1.49 0.03 0.00 0.52 0.00 0.00 34.95 34.01 2xhb s ARG 255 CO 0.00 0.14 0.20 0.42 0.02 0.00 0.00 175.30 176.08 2xhb s ILE 256 N -2.75 4.57 -0.37 1.52 1.01 0.11 -4.44 121.20 120.85 2xhb s ILE 256 Ca 0.30 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 2xhb s ILE 256 Cb 0.01 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.96 2xhb s ILE 256 CO 0.14 -0.21 1.17 -2.28 0.00 0.00 0.00 174.94 173.76 2xhb s HIS 257 N 1.56 2.88 -0.59 3.97 5.65 -1.26 -1.66 115.29 125.85 2xhb s HIS 257 Ca 0.02 0.93 -0.05 0.00 0.25 0.00 0.00 55.06 56.22 2xhb s HIS 257 Cb -0.19 -4.02 0.15 0.00 -1.18 0.00 0.00 32.58 27.34 2xhb s HIS 257 CO 0.07 -1.23 0.41 0.12 -0.65 0.00 0.00 174.74 173.46 2xhb s PHE 258 N 4.20 3.48 -0.12 3.88 5.36 -0.48 -4.82 117.98 129.48 2xhb s PHE 258 Ca 0.50 -2.50 -0.29 0.00 -0.96 0.00 0.00 56.93 53.68 2xhb s PHE 258 Cb -0.12 -3.29 -0.01 0.00 -0.34 0.00 0.00 43.02 39.26 2xhb s PHE 258 CO 0.24 -0.90 0.99 0.34 -1.46 0.00 0.00 175.22 174.43 2xhb s ASP 259 N 1.26 7.20 0.28 6.13 -1.08 -1.26 -2.51 116.67 126.69 2xhb s ASP 259 Ca 0.14 1.48 0.13 0.00 -0.52 0.00 0.00 52.55 53.78 2xhb s ASP 259 Cb -0.20 -2.54 0.36 0.00 -1.46 0.00 0.00 42.92 39.07 2xhb s ASP 259 CO -0.04 -0.45 1.59 -0.07 0.52 0.00 0.00 175.17 176.72 2xhb h LEU 260 N 8.12 0.00 0.27 -1.34 3.38 -0.99 -3.38 115.31 121.37 2xhb h LEU 260 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2xhb h LEU 260 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2xhb h LEU 260 CO 0.86 0.59 -0.30 0.22 0.09 0.00 0.00 178.44 179.90 2xhb h TYR 261 N 0.00 -0.79 -0.58 1.13 3.20 -1.92 -1.43 116.97 116.58 2xhb h TYR 261 Ca -0.01 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2xhb h TYR 261 Cb 1.14 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.70 2xhb h TYR 261 CO 0.00 -0.42 0.31 -1.35 -1.64 0.00 0.00 178.16 175.05 2xhb h PRO 262 N -0.61 0.81 -0.10 1.82 0.11 -1.88 -2.58 132.00 129.57 2xhb h PRO 262 Ca -0.01 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 2xhb h PRO 262 Cb 0.57 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 2xhb h PRO 262 CO -0.08 0.60 0.04 0.28 -0.21 0.00 0.00 178.00 178.64 2xhb h VAL 263 N 0.81 1.15 -0.33 3.15 2.07 -1.60 -2.82 116.25 118.69 2xhb h VAL 263 Ca 0.21 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2xhb h VAL 263 Cb 0.04 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2xhb h VAL 263 CO -0.03 0.13 0.19 0.40 0.02 0.00 0.00 177.57 178.28 2xhb h ILE 264 N 0.01 1.12 -0.85 4.57 2.04 -1.08 -1.23 117.51 122.09 2xhb h ILE 264 Ca 0.03 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.62 2xhb h ILE 264 Cb 0.17 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 2xhb h ILE 264 CO -0.00 0.13 0.56 0.03 0.00 0.00 0.00 178.15 178.86 2xhb h ARG 265 N 0.42 1.01 0.00 2.37 3.08 -1.47 -0.01 114.38 119.78 2xhb h ARG 265 Ca 0.12 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 2xhb h ARG 265 Cb 0.04 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 2xhb h ARG 265 CO -0.02 0.67 -0.53 -0.09 -1.07 0.00 0.00 179.97 178.93 2xhb h ARG 266 N 1.04 0.00 0.00 0.04 2.43 -1.19 -3.38 114.38 113.32 2xhb h ARG 266 Ca 0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 2xhb h ARG 266 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2xhb h ARG 266 CO -0.11 0.53 -0.19 1.15 -1.51 0.00 0.00 179.97 179.85 2xhb h THR 267 N 0.00 0.00 -1.18 0.20 2.02 -0.34 -3.49 112.91 110.12 2xhb h THR 267 Ca -0.01 -0.54 -0.46 0.00 0.77 0.00 0.00 66.41 66.18 2xhb h THR 267 Cb 1.02 0.00 0.03 0.00 -1.74 0.00 0.00 68.15 67.46 2xhb h THR 267 CO 0.07 0.00 -0.15 0.27 0.37 0.00 0.00 175.52 176.08 2xhb s ILE 268 N -1.55 2.51 -0.18 3.11 -4.36 -0.10 -5.10 121.20 115.54 2xhb s ILE 268 Ca -0.05 -0.97 -0.04 0.00 -0.26 0.00 0.00 60.65 59.33 2xhb s ILE 268 Cb 0.01 -2.54 0.06 0.00 1.25 0.00 0.00 42.46 41.24 2xhb s ILE 268 CO 0.08 0.00 0.07 0.20 0.24 0.00 0.00 174.94 175.53 2xhb s ASN 269 N -4.53 2.55 0.20 4.36 0.02 -1.26 -4.62 114.94 111.65 2xhb s ASN 269 Ca 0.59 -0.68 -0.08 0.00 -1.02 0.00 0.00 52.86 51.67 2xhb s ASN 269 Cb -0.08 -0.38 -0.02 0.00 0.02 0.00 0.00 41.25 40.80 2xhb s ASN 269 CO 0.37 -0.33 0.30 -1.48 0.02 0.00 0.00 177.10 175.97 2xhb s LEU 270 N 2.03 0.85 -0.08 0.60 2.34 -1.26 -5.00 118.68 118.15 2xhb s LEU 270 Ca 0.01 -1.02 -0.25 0.00 0.06 0.00 0.00 54.13 52.93 2xhb s LEU 270 Cb -0.16 1.14 -0.21 0.00 -0.56 0.00 0.00 46.19 46.40 2xhb s LEU 270 CO -0.08 -0.95 0.95 -0.65 -1.06 0.00 0.00 176.35 174.56 2xhb h PRO 271 N 2.49 -0.05 -5.16 1.48 0.11 -1.94 -3.43 132.00 125.50 2xhb h PRO 271 Ca -0.31 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.17 2xhb h PRO 271 Cb 1.24 0.01 -0.20 0.00 0.11 0.00 0.00 31.00 32.16 2xhb h PRO 271 CO 0.46 0.60 -0.62 0.95 -0.21 0.00 0.00 178.00 179.18 2xhb s THR 272 N -3.22 4.30 -0.75 -1.15 -4.23 -1.26 -5.00 115.64 104.34 2xhb s THR 272 Ca -0.16 -0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.14 2xhb s THR 272 Cb -0.00 -2.95 0.40 0.00 1.34 0.00 0.00 72.50 71.29 2xhb s THR 272 CO 0.61 0.42 2.02 -1.22 -0.54 0.00 0.00 174.62 175.92 2xhb n TYR 273 N 4.08 3.12 -1.46 3.99 4.02 -1.26 -4.55 117.16 125.10 2xhb n TYR 273 Ca -0.17 -2.71 -0.29 0.00 -0.01 0.00 0.00 57.90 54.72 2xhb n TYR 273 Cb 0.52 -1.32 0.12 0.00 -0.02 0.00 0.00 39.34 38.64 2xhb n TYR 273 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2xhb s THR 274 N -4.95 2.64 0.37 -0.72 -4.23 -1.26 -4.84 115.64 102.65 2xhb s THR 274 Ca 0.59 0.21 0.10 0.00 -1.18 0.00 0.00 61.69 61.40 2xhb s THR 274 Cb 0.48 -2.89 0.12 0.00 1.34 0.00 0.00 72.50 71.55 2xhb s THR 274 CO -0.20 -0.27 1.86 0.25 -0.54 0.00 0.00 174.62 175.72 2xhb h LEU 275 N -1.34 0.17 0.01 4.79 5.85 -1.99 -1.36 115.31 121.43 2xhb h LEU 275 Ca -0.49 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.11 2xhb h LEU 275 Cb 1.29 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 42.28 2xhb h LEU 275 CO 0.59 0.42 -0.29 1.05 -0.34 0.00 0.00 178.44 179.87 2xhb h GLU 276 N 0.16 0.17 -0.05 1.25 9.09 -1.92 -2.31 114.58 120.96 2xhb h GLU 276 Ca 0.03 -0.20 0.02 0.00 0.05 0.00 0.00 59.36 59.25 2xhb h GLU 276 Cb 0.52 0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 27.66 2xhb h GLU 276 CO 0.04 0.97 -0.07 0.00 0.05 0.00 0.00 179.01 180.00 2xhb h ALA 277 N 0.21 -0.03 -0.14 1.06 0.00 -1.84 0.19 119.26 118.71 2xhb h ALA 277 Ca -0.04 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2xhb h ALA 277 Cb 1.08 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2xhb h ALA 277 CO 0.06 -0.54 0.00 0.28 0.00 0.00 0.00 179.25 179.04 2xhb h VAL 278 N -0.09 0.90 -0.13 0.00 2.07 -1.36 0.28 116.25 117.92 2xhb h VAL 278 Ca 0.04 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2xhb h VAL 278 Cb 0.16 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2xhb h VAL 278 CO -0.11 0.01 -0.00 0.22 0.02 0.00 0.00 177.57 177.71 2xhb h TYR 279 N 0.05 0.18 -0.05 1.57 3.20 -1.15 -1.97 116.97 118.81 2xhb h TYR 279 Ca 0.07 -0.01 -0.24 0.00 3.14 0.00 0.00 58.73 61.69 2xhb h TYR 279 Cb 0.08 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.30 2xhb h TYR 279 CO -0.15 0.20 -0.92 1.49 -1.64 0.00 0.00 178.16 177.15 2xhb h GLU 280 N 0.19 0.63 -0.18 1.82 4.81 0.01 -1.32 114.58 120.54 2xhb h GLU 280 Ca 0.05 -0.62 -0.09 0.00 -0.13 0.00 0.00 59.36 58.57 2xhb h GLU 280 Cb 0.14 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2xhb h GLU 280 CO 0.00 1.22 -0.28 0.00 -0.73 0.00 0.00 179.01 179.22 2xhb h ALA 281 N 0.58 1.18 0.08 2.92 0.00 -0.59 -1.18 119.26 122.24 2xhb h ALA 281 Ca -0.09 -0.34 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 2xhb h ALA 281 Cb 1.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2xhb h ALA 281 CO 0.18 0.53 -1.40 0.82 0.00 0.00 0.00 179.25 179.38 2xhb h ILE 282 N 0.31 0.96 -0.04 0.00 1.08 -1.39 -3.41 117.51 115.01 2xhb h ILE 282 Ca 0.04 -2.32 0.00 0.00 -0.39 0.00 0.00 64.86 62.19 2xhb h ILE 282 Cb 0.66 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 36.98 2xhb h ILE 282 CO 0.05 0.62 0.00 0.49 -0.69 0.00 0.00 178.15 178.62 2xhb n PHE 283 N -4.03 0.04 -3.81 1.37 3.72 -0.50 -5.02 117.46 109.23 2xhb n PHE 283 Ca -0.27 -0.04 -0.25 0.00 -0.05 0.00 0.00 57.45 56.84 2xhb n PHE 283 Cb 0.84 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.40 2xhb n PHE 283 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xhb n GLY 284 N 0.65 -0.35 3.07 1.37 0.00 -0.45 -5.00 105.19 104.49 2xhb n GLY 284 Ca 0.07 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 2xhb n GLY 284 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2xhb s GLN 285 N -6.27 0.23 0.66 1.61 0.74 -1.26 -5.07 119.66 110.30 2xhb s GLN 285 Ca 0.22 0.46 -0.14 0.00 0.05 0.00 0.00 55.36 55.95 2xhb s GLN 285 Cb -0.11 -0.04 0.00 0.00 1.10 0.00 0.00 33.01 33.96 2xhb s GLN 285 CO 0.83 -0.12 1.09 -1.25 -0.55 0.00 0.00 175.29 175.29 2xhb s PRO 286 N 0.88 2.84 -0.05 1.67 0.04 -1.26 -4.14 135.00 134.98 2xhb s PRO 286 Ca -0.06 1.29 0.02 0.00 0.04 0.00 0.00 61.00 62.29 2xhb s PRO 286 Cb -0.07 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.52 2xhb s PRO 286 CO -0.06 -1.20 -0.09 0.21 0.04 0.00 0.00 177.00 175.90 2xhb s LYS 287 N -4.27 1.31 0.20 4.56 2.20 -1.26 -5.04 119.74 117.44 2xhb s LYS 287 Ca 0.65 -0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 55.65 2xhb s LYS 287 Cb -0.19 -1.15 -0.09 0.00 -1.51 0.00 0.00 37.83 34.90 2xhb s LYS 287 CO 0.43 0.01 1.28 -1.83 -0.36 0.00 0.00 175.35 174.89 2xhb s GLU 288 N 0.64 4.42 -0.28 4.03 4.04 -1.26 -4.90 118.70 125.39 2xhb s GLU 288 Ca -0.12 2.01 -0.08 0.00 0.04 0.00 0.00 54.97 56.83 2xhb s GLU 288 Cb -0.14 -3.20 -0.01 0.00 0.02 0.00 0.00 34.13 30.80 2xhb s GLU 288 CO 0.02 -0.20 0.10 0.21 -1.84 0.00 0.00 175.26 173.55 2xhb s LYS 289 N -0.25 3.34 -0.23 -4.83 2.36 -1.26 -4.96 119.74 113.91 2xhb s LYS 289 Ca 0.55 -0.70 -0.15 0.00 -2.55 0.00 0.00 55.97 53.12 2xhb s LYS 289 Cb -0.36 -3.41 -0.04 0.00 -1.05 0.00 0.00 37.83 32.98 2xhb s LYS 289 CO 0.39 -0.36 0.38 0.08 1.55 0.00 0.00 175.35 177.39 2xhb s VAL 290 N 1.57 5.19 0.63 4.02 1.01 -1.26 -5.08 120.40 126.48 2xhb s VAL 290 Ca 0.04 0.65 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 2xhb s VAL 290 Cb -0.16 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.52 2xhb s VAL 290 CO 0.04 0.22 0.96 -0.31 0.00 0.00 0.00 175.10 176.01 2xhb s TYR 291 N 1.56 3.24 0.33 5.22 2.02 -1.26 -4.90 117.35 123.56 2xhb s TYR 291 Ca 0.17 0.72 0.19 0.00 -0.37 0.00 0.00 57.07 57.79 2xhb s TYR 291 Cb -0.15 -2.85 0.97 0.00 -0.40 0.00 0.00 41.96 39.53 2xhb s TYR 291 CO 0.08 -0.96 1.89 0.00 -1.57 0.00 0.00 175.55 175.00 2xhb h ALA 292 N -0.32 1.26 0.00 3.71 0.00 -1.97 -1.39 119.26 120.55 2xhb h ALA 292 Ca -0.45 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.08 2xhb h ALA 292 Cb 1.26 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2xhb h ALA 292 CO 0.61 0.34 -0.61 1.05 0.00 0.00 0.00 179.25 180.65 2xhb h GLU 293 N 0.00 0.00 0.08 0.00 9.09 -2.00 -2.93 114.58 118.81 2xhb h GLU 293 Ca -0.00 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.15 2xhb h GLU 293 Cb 0.59 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.68 2xhb h GLU 293 CO 0.04 0.61 -1.18 0.93 0.05 0.00 0.00 179.01 179.45 2xhb h GLU 294 N 0.00 0.16 -0.04 1.06 5.08 -1.74 -3.13 114.58 115.98 2xhb h GLU 294 Ca -0.01 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2xhb h GLU 294 Cb 1.09 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 2xhb h GLU 294 CO 0.08 1.12 -0.03 0.82 -1.00 0.00 0.00 179.01 180.00 2xhb h ILE 295 N 0.04 1.36 -0.30 3.13 2.04 -1.29 -0.22 117.51 122.28 2xhb h ILE 295 Ca -0.10 -1.13 0.06 0.00 1.00 0.00 0.00 64.86 64.70 2xhb h ILE 295 Cb 1.90 2.05 -0.06 0.00 -0.74 0.00 0.00 36.82 39.97 2xhb h ILE 295 CO 0.17 0.30 -0.10 0.00 0.00 0.00 0.00 178.15 178.52 2xhb h ALA 296 N 0.56 0.15 -0.62 1.87 0.00 -1.66 0.42 119.26 119.98 2xhb h ALA 296 Ca 0.01 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2xhb h ALA 296 Cb 0.50 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 2xhb h ALA 296 CO 0.01 -0.50 0.24 0.37 0.00 0.00 0.00 179.25 179.37 2xhb h GLN 297 N -0.05 0.41 -0.05 0.00 5.75 -1.51 0.39 115.11 120.06 2xhb h GLN 297 Ca 0.15 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 2xhb h GLN 297 Cb 0.27 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.73 2xhb h GLN 297 CO -0.33 0.27 0.00 0.00 -2.65 0.00 0.00 178.83 176.12 2xhb h ALA 298 N 1.43 0.07 -0.36 3.38 0.00 0.03 -2.20 119.26 121.61 2xhb h ALA 298 Ca 0.32 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2xhb h ALA 298 Cb 0.39 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2xhb h ALA 298 CO -0.31 -0.27 -0.12 2.35 0.00 0.00 0.00 179.25 180.90 2xhb h TRP 299 N -0.19 0.68 0.61 0.00 2.91 0.08 0.12 115.95 120.16 2xhb h TRP 299 Ca 0.01 -0.12 -0.03 0.00 1.13 0.00 0.00 58.89 59.89 2xhb h TRP 299 Cb 0.32 -0.18 0.01 0.00 -0.51 0.00 0.00 29.16 28.79 2xhb h TRP 299 CO 0.03 0.73 -0.29 1.49 -1.03 0.00 0.00 178.44 179.36 2xhb h GLU 300 N 0.58 -0.79 0.05 2.65 4.57 -0.17 -3.36 114.58 118.11 2xhb h GLU 300 Ca 0.10 0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2xhb h GLU 300 Cb 0.55 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2xhb h GLU 300 CO 0.03 -0.51 -0.02 1.79 -1.18 0.00 0.00 179.01 179.12 2xhb h THR 301 N -1.20 1.31 -0.19 0.32 1.35 -1.48 -3.48 112.91 109.54 2xhb h THR 301 Ca -0.08 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 2xhb h THR 301 Cb 0.64 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 2xhb h THR 301 CO 0.14 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 2xhb n GLY 302 N 0.53 0.61 2.61 5.82 0.00 0.41 -5.10 105.19 110.08 2xhb n GLY 302 Ca -0.09 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2xhb n GLY 302 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2xhb s GLU 303 N 0.21 0.45 0.00 1.61 4.04 -1.12 -4.82 118.70 119.07 2xhb s GLU 303 Ca 0.00 -0.84 0.00 0.00 0.04 0.00 0.00 54.97 54.17 2xhb s GLU 303 Cb 0.00 -1.52 0.00 0.00 0.02 0.00 0.00 34.13 32.63 2xhb s GLU 303 CO 0.00 -1.03 0.00 0.41 -1.84 0.00 0.00 175.26 172.80 2xhb n GLY 304 N 4.95 1.44 0.26 -3.83 0.00 -1.26 -4.37 105.19 102.38 2xhb n GLY 304 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 2xhb n GLY 304 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2xhb h LEU 305 N 0.00 0.00 -0.42 0.99 3.38 -1.87 -2.12 115.31 115.26 2xhb h LEU 305 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2xhb h LEU 305 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2xhb h LEU 305 CO 0.00 0.10 -0.28 -0.33 0.09 0.00 0.00 178.44 178.02 2xhb h GLU 306 N 0.00 0.94 -0.08 1.13 5.08 -1.98 0.63 114.58 120.30 2xhb h GLU 306 Ca -0.00 -0.44 -0.14 0.00 -1.00 0.00 0.00 59.36 57.77 2xhb h GLU 306 Cb 0.51 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2xhb h GLU 306 CO 0.01 1.10 -0.58 -0.09 -1.00 0.00 0.00 179.01 178.46 2xhb h ARG 307 N 0.77 0.26 -0.25 2.33 2.43 -1.88 -0.84 114.38 117.19 2xhb h ARG 307 Ca 0.08 -0.17 -0.19 0.00 -0.81 0.00 0.00 59.98 58.90 2xhb h ARG 307 Cb 0.87 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2xhb h ARG 307 CO 0.08 0.77 -0.59 0.28 -1.51 0.00 0.00 179.97 178.99 2xhb h VAL 308 N 0.20 1.28 -0.15 0.20 2.07 -1.35 -2.59 116.25 115.92 2xhb h VAL 308 Ca -0.00 -1.79 -0.11 0.00 0.82 0.00 0.00 66.70 65.62 2xhb h VAL 308 Cb 1.08 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 2xhb h VAL 308 CO 0.09 0.58 -0.38 0.00 0.02 0.00 0.00 177.57 177.88 2xhb h ALA 309 N 0.72 1.09 -0.26 1.67 0.00 -0.74 -2.41 119.26 119.32 2xhb h ALA 309 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2xhb h ALA 309 Cb 1.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2xhb h ALA 309 CO 0.13 0.58 -0.08 -0.09 0.00 0.00 0.00 179.25 179.79 2xhb h ARG 310 N 0.27 0.52 -0.90 0.00 2.43 -1.15 -1.86 114.38 113.69 2xhb h ARG 310 Ca 0.03 -0.21 0.08 0.00 -0.81 0.00 0.00 59.98 59.07 2xhb h ARG 310 Cb 0.79 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.25 2xhb h ARG 310 CO 0.06 0.75 0.56 -0.92 -1.51 0.00 0.00 179.97 178.91 2xhb h TYR 311 N 0.27 1.03 -0.39 2.20 3.20 -1.36 0.54 116.97 122.45 2xhb h TYR 311 Ca 0.06 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.80 2xhb h TYR 311 Cb 0.57 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2xhb h TYR 311 CO 0.05 0.48 -0.39 1.03 -1.64 0.00 0.00 178.16 177.70 2xhb h SER 312 N 0.98 1.01 -0.52 -2.11 0.87 -1.38 -0.76 113.55 111.65 2xhb h SER 312 Ca 0.41 -0.47 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 2xhb h SER 312 Cb 0.26 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 2xhb h SER 312 CO -0.20 1.27 0.15 -0.03 -0.53 0.00 0.00 176.83 177.49 2xhb h MET 313 N 0.77 0.81 -0.42 2.24 1.85 -0.88 -2.62 114.93 116.68 2xhb h MET 313 Ca 0.06 -0.18 -0.12 0.00 -0.61 0.00 0.00 59.70 58.85 2xhb h MET 313 Cb 0.98 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.89 2xhb h MET 313 CO 0.10 0.76 -0.23 0.93 -0.40 0.00 0.00 176.91 178.06 2xhb h GLU 314 N 0.71 0.87 -0.59 0.39 5.08 -0.86 -1.62 114.58 118.56 2xhb h GLU 314 Ca 0.17 -0.37 0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2xhb h GLU 314 Cb 0.29 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 2xhb h GLU 314 CO -0.00 1.01 0.14 -0.44 -1.00 0.00 0.00 179.01 178.72 2xhb h ASP 315 N 0.75 0.04 -0.42 1.42 3.32 -1.02 0.30 116.42 120.80 2xhb h ASP 315 Ca 0.10 0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 2xhb h ASP 315 Cb 0.78 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 2xhb h ASP 315 CO 0.06 0.03 -0.10 0.00 -1.72 0.00 0.00 179.24 177.52 2xhb h ALA 316 N 1.46 0.58 -0.11 3.45 0.00 -1.25 -2.72 119.26 120.68 2xhb h ALA 316 Ca 0.31 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 2xhb h ALA 316 Cb 0.45 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2xhb h ALA 316 CO -0.38 0.45 -0.72 -0.22 0.00 0.00 0.00 179.25 178.38 2xhb h LYS 317 N 0.63 0.68 -0.52 0.00 3.64 -0.79 -2.34 116.57 117.88 2xhb h LYS 317 Ca 0.11 -0.58 -0.03 0.00 -1.27 0.00 0.00 60.65 58.87 2xhb h LYS 317 Cb 0.62 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 2xhb h LYS 317 CO 0.04 1.20 0.19 0.28 -2.27 0.00 0.00 179.45 178.89 2xhb h VAL 318 N 0.35 1.20 -0.51 2.00 2.07 -0.51 -2.25 116.25 118.59 2xhb h VAL 318 Ca -0.06 -0.63 -0.12 0.00 0.82 0.00 0.00 66.70 66.71 2xhb h VAL 318 Cb 1.36 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2xhb h VAL 318 CO 0.15 0.24 -0.15 0.74 0.02 0.00 0.00 177.57 178.57 2xhb h THR 319 N 0.74 1.27 -0.26 2.57 2.02 -1.37 -0.35 112.91 117.53 2xhb h THR 319 Ca 0.18 -1.31 -0.06 0.00 0.77 0.00 0.00 66.41 65.99 2xhb h THR 319 Cb 0.17 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2xhb h THR 319 CO -0.01 0.46 -0.05 0.22 0.37 0.00 0.00 175.52 176.50 2xhb h TYR 320 N 0.86 0.56 0.00 3.16 3.20 -1.20 0.44 116.97 123.99 2xhb h TYR 320 Ca 0.13 -0.12 -0.13 0.00 3.14 0.00 0.00 58.73 61.75 2xhb h TYR 320 Cb 0.72 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2xhb h TYR 320 CO 0.05 0.70 -0.60 1.05 -1.64 0.00 0.00 178.16 177.73 2xhb h GLU 321 N 0.25 0.00 -0.69 1.82 4.11 -1.43 0.25 114.58 118.89 2xhb h GLU 321 Ca 0.07 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.42 2xhb h GLU 321 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2xhb h GLU 321 CO 0.02 0.60 0.15 -0.07 0.07 0.00 0.00 179.01 179.78 2xhb h LEU 322 N 0.00 1.07 -0.62 3.06 3.38 -0.96 -3.02 115.31 118.21 2xhb h LEU 322 Ca -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2xhb h LEU 322 Cb 1.11 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2xhb h LEU 322 CO 0.08 1.04 0.36 1.23 0.09 0.00 0.00 178.44 181.23 2xhb h GLY 323 N 1.05 0.91 2.00 0.83 0.00 0.89 -2.53 103.07 106.22 2xhb h GLY 323 Ca 0.21 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2xhb h GLY 323 CO 0.01 0.38 -0.02 0.50 0.00 0.00 0.00 176.54 177.41 2xhb h LYS 324 N 0.84 0.00 0.19 4.80 1.57 -0.53 -2.14 116.57 121.30 2xhb h LYS 324 Ca 0.22 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.75 2xhb h LYS 324 Cb 0.01 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.35 2xhb h LYS 324 CO -0.04 0.02 -1.09 1.49 -0.57 0.00 0.00 179.45 179.26 2xhb h GLU 325 N 0.00 0.40 0.02 3.15 4.57 -1.33 -3.41 114.58 117.98 2xhb h GLU 325 Ca -0.00 -0.68 -0.33 0.00 -1.18 0.00 0.00 59.36 57.17 2xhb h GLU 325 Cb 0.04 0.25 -0.05 0.00 -0.16 0.00 0.00 28.75 28.83 2xhb h GLU 325 CO 0.00 1.32 -1.98 1.19 -1.18 0.00 0.00 179.01 178.36 2xhb n PHE 326 N -3.96 0.71 -0.07 0.92 3.01 -1.09 -4.46 117.46 112.52 2xhb n PHE 326 Ca -0.15 0.23 -0.07 0.00 1.01 0.00 0.00 57.45 58.47 2xhb n PHE 326 Cb 0.94 -1.12 -0.01 0.00 -0.01 0.00 0.00 39.48 39.28 2xhb n PHE 326 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 2xhb h PHE 327 N 0.01 -0.13 -0.92 1.38 3.57 -1.61 -1.54 116.94 117.70 2xhb h PHE 327 Ca -0.40 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.30 2xhb h PHE 327 Cb 2.07 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 40.84 2xhb h PHE 327 CO 0.01 -0.11 0.59 -1.35 -2.23 0.00 0.00 178.31 175.22 2xhb h PRO 328 N 0.01 0.61 -0.05 6.41 0.11 -1.79 0.51 132.00 137.80 2xhb h PRO 328 Ca 0.14 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 2xhb h PRO 328 Cb 0.20 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 2xhb h PRO 328 CO -0.28 0.40 -0.03 1.98 -0.21 0.00 0.00 178.00 179.85 2xhb h MET 329 N 0.62 0.12 -0.34 1.05 -1.53 -1.54 -2.00 114.93 111.31 2xhb h MET 329 Ca 0.48 -0.05 -0.03 0.00 -3.44 0.00 0.00 59.70 56.66 2xhb h MET 329 Cb 0.90 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.93 2xhb h MET 329 CO -0.23 0.52 0.08 0.93 0.14 0.00 0.00 176.91 178.35 2xhb h GLU 330 N -0.29 0.49 -0.44 0.39 4.39 -0.62 -1.28 114.58 117.22 2xhb h GLU 330 Ca 0.01 -0.08 0.06 0.00 0.34 0.00 0.00 59.36 59.70 2xhb h GLU 330 Cb 0.49 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 2xhb h GLU 330 CO 0.01 0.46 0.14 0.00 -1.16 0.00 0.00 179.01 178.46 2xhb h ALA 331 N 1.61 0.52 -0.49 3.43 0.00 0.14 -1.58 119.26 122.89 2xhb h ALA 331 Ca 0.12 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 2xhb h ALA 331 Cb 0.19 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2xhb h ALA 331 CO -0.00 -0.26 -0.20 1.96 0.00 0.00 0.00 179.25 180.75 2xhb h GLN 332 N 0.30 0.99 -0.74 0.00 1.08 -0.62 -2.82 115.11 113.30 2xhb h GLN 332 Ca 0.21 -0.42 -0.02 0.00 -1.45 0.00 0.00 58.65 56.98 2xhb h GLN 332 Cb 0.23 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.58 2xhb h GLN 332 CO -0.23 1.10 0.40 -0.07 -0.95 0.00 0.00 178.83 179.07 2xhb h LEU 333 N 0.85 0.92 -1.38 1.46 3.38 -1.09 -1.79 115.31 117.65 2xhb h LEU 333 Ca 0.11 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2xhb h LEU 333 Cb 0.78 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2xhb h LEU 333 CO 0.06 0.75 0.42 0.28 0.09 0.00 0.00 178.44 180.04 2xhb h SER 334 N 1.04 0.72 -0.17 -0.43 0.02 -1.15 -0.80 113.55 112.77 2xhb h SER 334 Ca 0.26 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 61.02 2xhb h SER 334 Cb 0.03 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 2xhb h SER 334 CO -0.04 0.52 -0.54 -0.09 -1.14 0.00 0.00 176.83 175.54 2xhb h ARG 335 N 0.85 0.76 -0.16 3.45 2.43 -1.10 0.37 114.38 120.99 2xhb h ARG 335 Ca 0.23 -0.48 -0.11 0.00 -0.81 0.00 0.00 59.98 58.82 2xhb h ARG 335 Cb -0.09 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2xhb h ARG 335 CO -0.05 1.10 -0.31 -0.07 -1.51 0.00 0.00 179.97 179.13 2xhb h LEU 336 N 0.59 0.55 -0.29 3.80 3.38 -1.20 -3.29 115.31 118.84 2xhb h LEU 336 Ca 0.02 -0.55 -0.20 0.00 0.09 0.00 0.00 57.88 57.23 2xhb h LEU 336 Cb 1.12 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2xhb h LEU 336 CO 0.11 1.00 -0.73 0.58 0.09 0.00 0.00 178.44 179.50 2xhb h VAL 337 N 0.12 1.32 -0.62 1.22 2.07 -1.21 -3.47 116.25 115.67 2xhb h VAL 337 Ca 0.01 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.52 2xhb h VAL 337 Cb 0.91 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2xhb h VAL 337 CO 0.07 0.62 0.00 0.61 0.02 0.00 0.00 177.57 178.89 2xhb n GLY 338 N 0.59 0.81 3.27 2.17 0.00 0.11 -4.14 105.19 108.00 2xhb n GLY 338 Ca -0.06 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 2xhb n GLY 338 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2xhb s GLN 339 N -4.34 1.30 0.70 1.61 -1.52 -1.12 -4.69 119.66 111.59 2xhb s GLN 339 Ca 0.00 -1.68 -0.15 0.00 -1.95 0.00 0.00 55.36 51.57 2xhb s GLN 339 Cb 0.00 -0.13 0.02 0.00 -0.22 0.00 0.00 33.01 32.68 2xhb s GLN 339 CO 0.00 -0.29 1.17 -1.54 -0.25 0.00 0.00 175.29 174.38 2xhb s SER 340 N -3.25 4.59 0.48 5.90 1.04 -1.26 -4.63 113.70 116.57 2xhb s SER 340 Ca 0.35 2.22 0.26 0.00 0.48 0.00 0.00 55.95 59.26 2xhb s SER 340 Cb 0.07 -2.58 1.19 0.00 0.10 0.00 0.00 66.02 64.81 2xhb s SER 340 CO 0.11 -1.99 1.95 0.25 0.98 0.00 0.00 173.24 174.54 2xhb h LEU 341 N -0.11 0.00 -0.57 2.42 6.46 -1.91 -0.96 115.31 120.64 2xhb h LEU 341 Ca -0.47 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.24 2xhb h LEU 341 Cb 1.28 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.18 2xhb h LEU 341 CO 0.52 0.18 0.16 -0.25 -0.62 0.00 0.00 178.44 178.42 2xhb h TRP 342 N 0.00 0.94 -0.01 1.25 7.01 -1.87 -1.53 115.95 121.74 2xhb h TRP 342 Ca -0.00 -0.10 -0.04 0.00 2.11 0.00 0.00 58.89 60.85 2xhb h TRP 342 Cb 0.54 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.34 2xhb h TRP 342 CO 0.00 0.80 -0.17 -0.44 -2.79 0.00 0.00 178.44 175.84 2xhb h ASP 343 N 0.81 0.16 -0.18 2.65 3.32 -1.82 -3.22 116.42 118.14 2xhb h ASP 343 Ca 0.18 -0.75 -0.06 0.00 0.02 0.00 0.00 57.03 56.42 2xhb h ASP 343 Cb 0.31 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2xhb h ASP 343 CO -0.00 0.89 -0.06 0.58 -1.72 0.00 0.00 179.24 178.93 2xhb h VAL 344 N -0.55 1.21 0.00 -1.35 2.07 -1.22 -1.82 116.25 114.59 2xhb h VAL 344 Ca -0.02 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 2xhb h VAL 344 Cb 0.91 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2xhb h VAL 344 CO 0.03 0.29 -0.10 0.77 0.02 0.00 0.00 177.57 178.58 2xhb h SER 345 N 0.47 0.00 -0.33 0.57 4.64 -1.38 -3.17 113.55 114.34 2xhb h SER 345 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2xhb h SER 345 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2xhb h SER 345 CO 0.02 0.10 0.00 0.54 -0.87 0.00 0.00 176.83 176.62 2xhb n ARG 346 N -3.25 2.33 -3.96 4.77 1.74 -0.73 -3.94 116.66 113.62 2xhb n ARG 346 Ca 0.00 -1.98 -0.26 0.00 -0.77 0.00 0.00 57.85 54.84 2xhb n ARG 346 Cb 0.36 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 2xhb n ARG 346 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2xhb s SER 347 N -1.06 6.29 0.53 0.55 0.01 -0.90 -5.07 113.70 114.05 2xhb s SER 347 Ca 0.27 0.14 -0.19 0.00 1.31 0.00 0.00 55.95 57.47 2xhb s SER 347 Cb 0.15 -1.88 -0.06 0.00 0.21 0.00 0.00 66.02 64.44 2xhb s SER 347 CO 0.20 0.04 1.10 -0.94 0.41 0.00 0.00 173.24 174.05 2xhb s SER 348 N -3.30 5.85 0.36 2.44 1.04 -1.26 -4.89 113.70 113.94 2xhb s SER 348 Ca 0.34 2.10 0.18 0.00 0.48 0.00 0.00 55.95 59.05 2xhb s SER 348 Cb -0.11 -2.57 1.22 0.00 0.10 0.00 0.00 66.02 64.66 2xhb s SER 348 CO 0.28 -1.13 1.62 0.74 0.98 0.00 0.00 173.24 175.74 2xhb h THR 349 N 1.22 0.14 0.35 2.02 2.02 -1.96 -0.56 112.91 116.14 2xhb h THR 349 Ca -0.50 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 2xhb h THR 349 Cb 1.25 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2xhb h THR 349 CO 0.57 0.03 -0.25 1.23 0.37 0.00 0.00 175.52 177.47 2xhb h GLY 350 N 0.16 -0.63 2.00 2.16 0.00 -1.91 -2.95 103.07 101.90 2xhb h GLY 350 Ca 0.79 0.28 -0.02 0.00 0.00 0.00 0.00 47.33 48.38 2xhb h GLY 350 CO -0.69 -0.24 -0.10 3.43 0.00 0.00 0.00 176.54 178.93 2xhb h ASN 351 N -0.60 0.00 -0.70 0.19 2.35 -1.66 -1.90 115.58 113.26 2xhb h ASN 351 Ca -0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2xhb h ASN 351 Cb 0.51 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 2xhb h ASN 351 CO 0.01 0.10 0.39 -0.07 -1.65 0.00 0.00 177.43 176.21 2xhb h LEU 352 N 0.00 0.88 -0.42 1.61 3.38 -0.98 -2.56 115.31 117.21 2xhb h LEU 352 Ca -0.00 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 2xhb h LEU 352 Cb 0.56 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2xhb h LEU 352 CO 0.01 0.71 -0.75 0.58 0.09 0.00 0.00 178.44 179.08 2xhb h VAL 353 N 1.00 1.41 0.26 1.22 2.07 -1.20 -2.87 116.25 118.13 2xhb h VAL 353 Ca 0.25 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.54 2xhb h VAL 353 Cb 0.02 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 2xhb h VAL 353 CO -0.04 0.66 -0.24 -0.33 0.02 0.00 0.00 177.57 177.64 2xhb h GLU 354 N 0.21 -0.51 -0.23 1.57 4.39 -1.15 -1.05 114.58 117.82 2xhb h GLU 354 Ca -0.03 0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 2xhb h GLU 354 Cb 1.32 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.08 2xhb h GLU 354 CO 0.12 -0.34 -0.42 -1.49 -1.16 0.00 0.00 179.01 175.72 2xhb h TRP 355 N -0.53 0.65 -0.18 4.33 4.06 -1.53 0.54 115.95 123.29 2xhb h TRP 355 Ca -0.01 -0.19 0.04 0.00 2.06 0.00 0.00 58.89 60.79 2xhb h TRP 355 Cb 0.48 -0.14 -0.04 0.00 -1.00 0.00 0.00 29.16 28.46 2xhb h TRP 355 CO -0.15 0.87 -0.09 0.35 -3.56 0.00 0.00 178.44 175.86 2xhb h PHE 356 N 0.44 -0.21 -0.29 0.49 3.57 -1.48 -2.31 116.94 117.16 2xhb h PHE 356 Ca 0.04 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 2xhb h PHE 356 Cb 0.92 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 2xhb h PHE 356 CO 0.04 -0.14 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.69 2xhb h LEU 357 N -0.07 0.53 0.14 0.59 3.38 -0.59 -1.87 115.31 117.42 2xhb h LEU 357 Ca 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2xhb h LEU 357 Cb 0.22 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2xhb h LEU 357 CO -0.22 0.75 -0.07 -0.07 0.09 0.00 0.00 178.44 178.92 2xhb h LEU 358 N 0.48 -0.16 -0.47 1.67 3.38 -0.82 0.38 115.31 119.77 2xhb h LEU 358 Ca 0.07 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.96 2xhb h LEU 358 Cb 0.64 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 2xhb h LEU 358 CO 0.05 0.07 0.10 -0.09 0.09 0.00 0.00 178.44 178.65 2xhb h ARG 359 N -0.40 0.23 -0.36 1.13 2.43 -1.36 -0.67 114.38 115.39 2xhb h ARG 359 Ca -0.02 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 2xhb h ARG 359 Cb 0.31 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2xhb h ARG 359 CO 0.03 0.15 -0.17 0.87 -1.51 0.00 0.00 179.97 179.34 2xhb h LYS 360 N 0.24 0.66 -0.68 0.20 1.79 -1.26 -2.66 116.57 114.85 2xhb h LYS 360 Ca 0.23 -0.23 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 2xhb h LYS 360 Cb 0.29 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.85 2xhb h LYS 360 CO -0.30 0.79 0.40 0.00 -1.08 0.00 0.00 179.45 179.27 2xhb h ALA 361 N 1.22 0.91 -0.45 3.86 0.00 0.58 -2.16 119.26 123.23 2xhb h ALA 361 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2xhb h ALA 361 Cb 0.63 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2xhb h ALA 361 CO 0.04 0.11 -0.02 -0.92 0.00 0.00 0.00 179.25 178.47 2xhb h TYR 362 N 0.75 0.79 -0.08 0.00 3.20 -0.93 0.51 116.97 121.21 2xhb h TYR 362 Ca 0.29 -0.11 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 2xhb h TYR 362 Cb 0.12 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 2xhb h TYR 362 CO -0.06 0.75 -0.48 0.93 -1.64 0.00 0.00 178.16 177.66 2xhb h GLU 363 N 0.69 0.19 -0.52 1.82 5.08 -1.12 -2.91 114.58 117.82 2xhb h GLU 363 Ca 0.13 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2xhb h GLU 363 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2xhb h GLU 363 CO 0.02 0.63 0.00 0.54 -1.00 0.00 0.00 179.01 179.20 2xhb n ARG 364 N -3.97 2.35 -2.24 2.33 1.74 -0.85 -4.94 116.66 111.09 2xhb n ARG 364 Ca -0.02 -2.08 -0.18 0.00 -0.77 0.00 0.00 57.85 54.79 2xhb n ARG 364 Cb 0.52 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.47 2xhb n ARG 364 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2xhb n ASN 365 N 1.22 -5.32 -4.57 0.55 5.15 -0.72 -4.90 115.26 106.67 2xhb n ASN 365 Ca 0.20 0.05 -0.41 0.00 -0.60 0.00 0.00 54.58 53.81 2xhb n ASN 365 Cb 0.51 -4.39 -0.07 0.00 -0.53 0.00 0.00 39.78 35.29 2xhb n ASN 365 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2xhb s GLU 366 N -4.73 3.67 0.24 1.20 2.56 0.17 -2.51 118.70 119.30 2xhb s GLU 366 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 54.97 54.60 2xhb s GLU 366 Cb 0.00 -3.80 -0.11 0.00 2.00 0.00 0.00 34.13 32.22 2xhb s GLU 366 CO 0.00 -0.65 1.60 -1.17 -0.56 0.00 0.00 175.26 174.48 2xhb s LEU 367 N 2.48 4.36 0.05 2.70 2.96 0.33 -4.27 118.68 127.29 2xhb s LEU 367 Ca 0.21 2.84 -0.30 0.00 -0.22 0.00 0.00 54.13 56.66 2xhb s LEU 367 Cb -0.15 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 2xhb s LEU 367 CO 0.13 -0.89 0.96 0.00 -1.32 0.00 0.00 176.35 175.24 2xhb s ALA 368 N 0.49 3.21 0.69 5.97 0.00 -1.26 -4.58 121.76 126.28 2xhb s ALA 368 Ca 0.67 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 53.02 2xhb s ALA 368 Cb -0.47 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.38 2xhb s ALA 368 CO 0.40 -0.12 1.14 -2.14 0.00 0.00 0.00 175.76 175.04 2xhb s PRO 369 N 0.49 2.53 0.77 0.00 0.02 -1.26 -4.47 135.00 133.08 2xhb s PRO 369 Ca 0.49 1.48 -0.12 0.00 0.02 0.00 0.00 61.00 62.88 2xhb s PRO 369 Cb -0.22 -1.91 0.05 0.00 0.02 0.00 0.00 34.50 32.45 2xhb s PRO 369 CO 0.29 -1.48 1.11 -0.80 -0.33 0.00 0.00 177.00 175.79 2xhb s ASN 370 N -2.48 4.78 0.54 2.53 0.01 -1.26 -4.75 114.94 114.30 2xhb s ASN 370 Ca 0.69 1.17 -0.13 0.00 -0.71 0.00 0.00 52.86 53.88 2xhb s ASN 370 Cb -0.23 -1.90 -0.06 0.00 0.41 0.00 0.00 41.25 39.48 2xhb s ASN 370 CO 0.44 -1.77 0.96 -0.54 -1.51 0.00 0.00 177.10 174.68 2xhb s LYS 371 N -5.28 3.77 0.06 -0.60 1.02 -1.26 -4.42 119.74 113.03 2xhb s LYS 371 Ca 0.60 0.76 -0.34 0.00 0.02 0.00 0.00 55.97 57.02 2xhb s LYS 371 Cb -0.13 -2.16 -0.18 0.00 -0.52 0.00 0.00 37.83 34.84 2xhb s LYS 371 CO 0.53 -0.35 1.51 -1.35 -0.92 0.00 0.00 175.35 174.77 2xhb h PRO 372 N 0.44 -1.06 -6.21 -1.68 0.11 -1.84 -3.50 132.00 118.26 2xhb h PRO 372 Ca -0.46 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2xhb h PRO 372 Cb 1.19 0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.54 2xhb h PRO 372 CO 0.62 -0.70 0.00 -0.25 -0.21 0.00 0.00 178.00 177.46 2xhb n ASP 373 N -5.29 0.00 -1.72 -2.05 10.43 -1.26 -5.19 116.55 111.47 2xhb n ASP 373 Ca -0.13 0.00 -0.04 0.00 2.57 0.00 0.00 54.79 57.19 2xhb n ASP 373 Cb 0.46 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.42 2xhb n ASP 373 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2xhb n ALA 385 N -0.82 -0.53 0.00 2.24 0.00 -1.26 -5.24 120.51 114.90 2xhb n ALA 385 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2xhb n ALA 385 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2xhb n ALA 385 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xhb n GLY 386 N -0.21 0.02 0.00 0.00 0.00 -1.26 -5.20 105.19 98.54 2xhb n GLY 386 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2xhb n GLY 386 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xhb n GLY 387 N -0.17 -0.58 3.74 -0.02 0.00 -1.26 -5.04 105.19 101.87 2xhb n GLY 387 Ca 0.00 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 2xhb n GLY 387 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2xhb s TYR 388 N -3.30 3.08 -0.42 1.61 6.14 -1.26 -4.91 117.35 118.28 2xhb s TYR 388 Ca 0.00 1.02 0.04 0.00 0.64 0.00 0.00 57.07 58.78 2xhb s TYR 388 Cb 0.00 -3.78 0.17 0.00 0.42 0.00 0.00 41.96 38.77 2xhb s TYR 388 CO 0.00 -2.57 0.42 0.08 0.64 0.00 0.00 175.55 174.12 2xhb s VAL 389 N 0.17 -0.08 0.17 3.14 1.01 -1.26 -3.09 120.40 120.46 2xhb s VAL 389 Ca 0.60 -1.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.31 2xhb s VAL 389 Cb -0.41 -0.88 -0.08 0.00 0.00 0.00 0.00 36.38 35.02 2xhb s VAL 389 CO 0.41 -0.85 1.26 -0.75 0.00 0.00 0.00 175.10 175.17 2xhb s LYS 390 N 0.52 4.43 -0.02 2.72 2.20 -1.15 -4.98 119.74 123.45 2xhb s LYS 390 Ca 0.29 1.96 -0.30 0.00 -0.36 0.00 0.00 55.97 57.56 2xhb s LYS 390 Cb -0.02 -3.23 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 2xhb s LYS 390 CO -0.13 -0.21 1.42 -1.21 -0.36 0.00 0.00 175.35 174.87 2xhb s GLU 391 N 0.04 4.26 0.82 4.03 0.41 -1.26 -4.57 118.70 122.43 2xhb s GLU 391 Ca 0.56 1.97 -0.11 0.00 -0.41 0.00 0.00 54.97 56.98 2xhb s GLU 391 Cb -0.34 -3.64 0.08 0.00 -1.78 0.00 0.00 34.13 28.45 2xhb s GLU 391 CO 0.36 -0.62 1.09 -1.25 -0.49 0.00 0.00 175.26 174.35 2xhb s PRO 392 N 2.70 1.90 0.55 0.39 0.04 -1.26 -4.97 135.00 134.35 2xhb s PRO 392 Ca 0.64 0.92 -0.19 0.00 0.04 0.00 0.00 61.00 62.41 2xhb s PRO 392 Cb -0.31 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 2xhb s PRO 392 CO 0.26 -1.82 1.12 -1.21 0.04 0.00 0.00 177.00 175.39 2xhb s GLU 393 N -4.97 3.36 0.21 4.56 0.41 -0.07 -5.02 118.70 117.17 2xhb s GLU 393 Ca 0.62 1.58 -0.06 0.00 -0.41 0.00 0.00 54.97 56.70 2xhb s GLU 393 Cb -0.17 -2.01 -0.06 0.00 -1.78 0.00 0.00 34.13 30.12 2xhb s GLU 393 CO 0.56 -0.84 0.47 0.50 -0.49 0.00 0.00 175.26 175.46 2xhb s ARG 394 N -3.33 3.66 0.69 1.61 3.52 -1.26 -4.43 118.95 119.40 2xhb s ARG 394 Ca 0.72 -0.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.32 2xhb s ARG 394 Cb -0.23 -2.74 0.00 0.00 -1.56 0.00 0.00 34.95 30.42 2xhb s ARG 394 CO 0.27 0.35 0.00 0.41 -0.81 0.00 0.00 175.30 175.52 2xhb n GLY 395 N -0.36 -1.83 3.45 8.12 0.00 -0.26 -4.93 105.19 109.38 2xhb n GLY 395 Ca -0.02 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 2xhb n GLY 395 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2xhb s LEU 396 N 0.00 3.31 -0.08 0.99 2.96 -1.26 -4.32 118.68 120.27 2xhb s LEU 396 Ca 0.00 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 2xhb s LEU 396 Cb 0.00 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 2xhb s LEU 396 CO 0.00 0.04 -0.11 0.26 -1.32 0.00 0.00 176.35 175.22 2xhb s TRP 397 N 1.14 2.82 0.37 5.38 0.52 0.22 -4.94 118.94 124.45 2xhb s TRP 397 Ca 0.03 -0.22 -0.17 0.00 0.02 0.00 0.00 56.10 55.76 2xhb s TRP 397 Cb -0.14 -1.73 -0.10 0.00 -1.15 0.00 0.00 33.47 30.35 2xhb s TRP 397 CO 0.02 0.13 0.82 -1.21 0.02 0.00 0.00 176.95 176.72 2xhb s GLU 398 N -0.43 4.07 -0.68 4.98 8.01 -1.26 -1.94 118.70 131.45 2xhb s GLU 398 Ca 0.06 0.82 -0.08 0.00 0.01 0.00 0.00 54.97 55.78 2xhb s GLU 398 Cb -0.12 -2.34 0.01 0.00 -4.31 0.00 0.00 34.13 27.37 2xhb s GLU 398 CO 0.02 0.08 0.65 0.09 0.01 0.00 0.00 175.26 176.10 2xhb n ASN 399 N -0.52 -6.46 -4.82 -0.19 3.02 0.36 -4.82 115.26 101.83 2xhb n ASN 399 Ca 0.05 -0.31 -0.34 0.00 -0.03 0.00 0.00 54.58 53.95 2xhb n ASN 399 Cb 0.53 -3.52 -0.07 0.00 -0.61 0.00 0.00 39.78 36.12 2xhb n ASN 399 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2xhb s ILE 400 N -2.71 4.99 0.11 2.41 1.01 0.54 -4.50 121.20 123.05 2xhb s ILE 400 Ca 0.09 -0.21 0.10 0.00 0.00 0.00 0.00 60.65 60.63 2xhb s ILE 400 Cb -0.02 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 2xhb s ILE 400 CO 0.82 0.42 -0.25 0.68 0.00 0.00 0.00 174.94 176.62 2xhb s VAL 401 N -1.16 2.06 -0.15 2.92 -7.23 -0.24 0.74 120.40 117.34 2xhb s VAL 401 Ca 0.21 -1.64 -0.00 0.00 -1.81 0.00 0.00 61.98 58.74 2xhb s VAL 401 Cb -0.12 -1.83 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 2xhb s VAL 401 CO 0.12 0.07 -0.13 -0.47 -0.31 0.00 0.00 175.10 174.38 2xhb s TYR 402 N -1.06 2.81 -0.01 2.82 5.04 -0.77 -1.30 117.35 124.89 2xhb s TYR 402 Ca 0.11 -0.81 0.06 0.00 -2.44 0.00 0.00 57.07 53.99 2xhb s TYR 402 Cb -0.10 -1.88 -0.03 0.00 0.35 0.00 0.00 41.96 40.30 2xhb s TYR 402 CO 0.05 -0.33 -0.19 -0.51 -1.34 0.00 0.00 175.55 173.23 2xhb s LEU 403 N 0.62 2.50 -0.16 6.97 1.43 -0.63 -1.32 118.68 128.09 2xhb s LEU 403 Ca -0.07 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 2xhb s LEU 403 Cb -0.16 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 2xhb s LEU 403 CO 0.03 0.31 0.19 -0.62 0.23 0.00 0.00 176.35 176.49 2xhb s ASP 404 N -0.92 6.34 -0.00 2.29 3.68 0.10 -1.02 116.67 127.14 2xhb s ASP 404 Ca 0.12 0.40 0.15 0.00 2.13 0.00 0.00 52.55 55.35 2xhb s ASP 404 Cb -0.10 -2.12 -0.19 0.00 -1.45 0.00 0.00 42.92 39.06 2xhb s ASP 404 CO 0.02 0.22 0.69 0.49 0.13 0.00 0.00 175.17 176.72 2xhb n PHE 405 N 3.07 0.89 -0.41 -5.34 3.72 0.18 -3.12 117.46 116.45 2xhb n PHE 405 Ca -0.16 0.31 0.34 0.00 -0.05 0.00 0.00 57.45 57.89 2xhb n PHE 405 Cb 0.53 -1.11 0.61 0.00 -0.94 0.00 0.00 39.48 38.57 2xhb n PHE 405 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2xhb h ARG 406 N 0.00 0.10 -0.06 -1.08 3.08 -1.77 0.19 114.38 114.84 2xhb h ARG 406 Ca -0.24 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.82 2xhb h ARG 406 Cb 1.80 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.82 2xhb h ARG 406 CO 0.06 0.07 0.15 0.66 -1.07 0.00 0.00 179.97 179.84 2xhb h SER 407 N 0.11 0.00 -0.68 7.04 4.64 -1.82 -2.65 113.55 120.19 2xhb h SER 407 Ca 0.81 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 62.14 2xhb h SER 407 Cb 2.38 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.43 2xhb h SER 407 CO -0.51 0.00 0.45 -0.07 -0.87 0.00 0.00 176.83 175.83 2xhb h LEU 408 N 0.00 0.76 -0.57 5.97 4.07 -0.74 -3.37 115.31 121.43 2xhb h LEU 408 Ca 0.03 -0.02 -0.15 0.00 0.08 0.00 0.00 57.88 57.83 2xhb h LEU 408 Cb 0.34 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 2xhb h LEU 408 CO -0.00 0.55 -0.43 1.88 -1.08 0.00 0.00 178.44 179.36 2xhb h TYR 409 N 0.90 0.80 -0.42 1.13 0.05 -1.68 -2.89 116.97 114.86 2xhb h TYR 409 Ca 0.26 -0.24 0.03 0.00 0.05 0.00 0.00 58.73 58.82 2xhb h TYR 409 Cb -0.08 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.46 2xhb h TYR 409 CO -0.03 0.98 0.22 -1.35 -1.05 0.00 0.00 178.16 176.93 2xhb h PRO 410 N 0.54 0.43 -0.69 4.88 0.11 -1.78 -1.55 132.00 133.94 2xhb h PRO 410 Ca 0.04 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 2xhb h PRO 410 Cb 0.96 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 2xhb h PRO 410 CO 0.09 0.29 0.38 0.77 -0.21 0.00 0.00 178.00 179.32 2xhb h SER 411 N 0.44 0.85 -0.70 -2.05 0.02 -1.75 -0.85 113.55 109.52 2xhb h SER 411 Ca 0.18 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2xhb h SER 411 Cb 0.07 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 2xhb h SER 411 CO -0.12 0.68 0.45 0.40 -1.14 0.00 0.00 176.83 177.11 2xhb h ILE 412 N 0.96 1.15 -0.46 3.27 2.04 -1.26 0.24 117.51 123.45 2xhb h ILE 412 Ca 0.25 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 2xhb h ILE 412 Cb 0.02 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 2xhb h ILE 412 CO -0.04 0.17 0.21 0.40 0.00 0.00 0.00 178.15 178.88 2xhb h ILE 413 N 0.92 1.20 0.11 -0.67 2.04 -0.73 -2.14 117.51 118.23 2xhb h ILE 413 Ca 0.26 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2xhb h ILE 413 Cb -0.07 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2xhb h ILE 413 CO -0.07 0.22 -0.05 0.40 0.00 0.00 0.00 178.15 178.65 2xhb h ILE 414 N 0.61 1.08 -0.27 -0.67 2.04 -0.81 -1.50 117.51 117.98 2xhb h ILE 414 Ca 0.16 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 2xhb h ILE 414 Cb 0.15 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2xhb h ILE 414 CO -0.02 0.20 0.08 0.74 0.00 0.00 0.00 178.15 179.15 2xhb h THR 415 N -0.54 1.20 -0.46 -0.27 2.02 -0.58 -2.96 112.91 111.31 2xhb h THR 415 Ca -0.02 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.52 2xhb h THR 415 Cb 0.44 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2xhb h THR 415 CO 0.02 0.21 0.00 1.41 0.37 0.00 0.00 175.52 177.54 2xhb n HIS 416 N -4.72 0.66 -2.86 3.16 8.25 -0.81 -4.94 115.22 113.97 2xhb n HIS 416 Ca -0.03 -0.32 -0.18 0.00 -0.26 0.00 0.00 57.72 56.93 2xhb n HIS 416 Cb 0.16 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.26 2xhb n HIS 416 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2xhb n ASN 417 N 0.84 -4.33 -4.63 0.41 5.15 -0.63 -4.86 115.26 107.20 2xhb n ASN 417 Ca 0.16 -0.10 -0.43 0.00 -0.60 0.00 0.00 54.58 53.61 2xhb n ASN 417 Cb 0.42 -3.60 -0.03 0.00 -0.53 0.00 0.00 39.78 36.04 2xhb n ASN 417 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2xhb s VAL 418 N -2.84 3.61 0.04 3.44 1.01 -0.80 -4.67 120.40 120.18 2xhb s VAL 418 Ca 0.19 0.69 -0.27 0.00 0.00 0.00 0.00 61.98 62.59 2xhb s VAL 418 Cb -0.10 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.73 2xhb s VAL 418 CO 0.23 -0.25 0.63 -0.55 0.00 0.00 0.00 175.10 175.16 2xhb s SER 419 N 4.45 -0.60 0.31 3.32 0.15 -1.26 -4.52 113.70 115.55 2xhb s SER 419 Ca 0.74 0.40 -0.00 0.00 0.70 0.00 0.00 55.95 57.79 2xhb s SER 419 Cb -0.27 0.56 0.49 0.00 -1.71 0.00 0.00 66.02 65.09 2xhb s SER 419 CO 0.30 -0.75 1.93 -0.65 1.20 0.00 0.00 173.24 175.27 2xhb h PRO 420 N 2.62 0.91 0.00 5.44 0.11 -1.92 -1.30 132.00 137.86 2xhb h PRO 420 Ca -0.30 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2xhb h PRO 420 Cb 1.21 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2xhb h PRO 420 CO 0.39 0.67 0.00 -0.40 -0.21 0.00 0.00 178.00 178.45 2xhb n ASP 421 N -4.37 0.05 -0.12 -2.05 5.75 -1.26 -2.74 116.55 111.80 2xhb n ASP 421 Ca 0.06 0.51 0.06 0.00 -0.01 0.00 0.00 54.79 55.41 2xhb n ASP 421 Cb 0.10 -0.52 -0.04 0.00 -1.03 0.00 0.00 41.12 39.63 2xhb n ASP 421 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2xhb n THR 422 N -1.55 0.00 -2.02 2.12 -2.24 -0.68 -4.87 114.28 105.04 2xhb n THR 422 Ca 0.04 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 2xhb n THR 422 Cb 0.21 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 2xhb n THR 422 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2xhb s LEU 423 N -2.28 4.38 -1.18 3.22 2.96 -0.58 -1.86 118.68 123.34 2xhb s LEU 423 Ca 0.07 2.61 -0.05 0.00 -0.22 0.00 0.00 54.13 56.54 2xhb s LEU 423 Cb 0.10 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 43.18 2xhb s LEU 423 CO 0.44 -0.71 0.09 0.59 -1.32 0.00 0.00 176.35 175.44 2xhb n ASN 424 N 2.84 0.09 -4.77 3.68 3.02 -0.76 -4.87 115.26 114.50 2xhb n ASN 424 Ca 0.09 -1.01 -0.36 0.00 -0.03 0.00 0.00 54.58 53.27 2xhb n ASN 424 Cb 0.40 -1.25 -0.00 0.00 -0.61 0.00 0.00 39.78 38.32 2xhb n ASN 424 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2xhb s ARG 425 N -6.54 3.47 -0.37 3.52 6.06 -1.23 -4.99 118.95 118.87 2xhb s ARG 425 Ca 0.07 1.66 -0.15 0.00 -2.50 0.00 0.00 55.73 54.81 2xhb s ARG 425 Cb -0.04 -2.12 -0.00 0.00 0.06 0.00 0.00 34.95 32.85 2xhb s ARG 425 CO 0.78 -0.76 0.32 -1.83 -2.50 0.00 0.00 175.30 171.32 2xhb s GLU 426 N -3.11 3.36 0.00 5.12 1.03 -1.26 -4.59 118.70 119.24 2xhb s GLU 426 Ca 0.70 -0.66 0.00 0.00 0.03 0.00 0.00 54.97 55.04 2xhb s GLU 426 Cb -0.25 -3.86 0.00 0.00 -0.80 0.00 0.00 34.13 29.21 2xhb s GLU 426 CO 0.29 -0.59 0.00 0.41 -1.33 0.00 0.00 175.26 174.04 2xhb n GLY 427 N 5.07 0.90 3.59 -3.83 0.00 -1.26 -5.10 105.19 104.56 2xhb n GLY 427 Ca -0.10 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 2xhb n GLY 427 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xhb h GLU 429 N 2.66 0.00 -5.63 0.00 4.81 -1.99 -3.46 114.58 110.97 2xhb h GLU 429 Ca -0.46 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.16 2xhb h GLU 429 Cb 1.22 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.28 2xhb h GLU 429 CO 0.56 0.61 -0.86 -1.21 -0.73 0.00 0.00 179.01 177.38 2xhb s GLU 430 N -2.78 2.04 -0.01 1.92 0.41 -1.26 -5.09 118.70 113.94 2xhb s GLU 430 Ca -0.01 -0.73 -0.01 0.00 -0.41 0.00 0.00 54.97 53.82 2xhb s GLU 430 Cb 0.09 -1.78 0.00 0.00 -1.78 0.00 0.00 34.13 30.66 2xhb s GLU 430 CO 0.80 0.31 0.02 0.71 -0.49 0.00 0.00 175.26 176.62 2xhb s TYR 431 N -0.09 -0.00 -0.19 1.61 1.51 -1.26 -1.89 117.35 117.03 2xhb s TYR 431 Ca -0.03 0.02 -0.06 0.00 -1.01 0.00 0.00 57.07 55.99 2xhb s TYR 431 Cb -0.12 -0.00 -0.03 0.00 -0.11 0.00 0.00 41.96 41.69 2xhb s TYR 431 CO 0.02 -0.02 0.03 -0.51 -1.11 0.00 0.00 175.55 173.97 2xhb s ASP 432 N -0.08 5.22 -0.14 2.29 1.11 -0.89 -4.95 116.67 119.22 2xhb s ASP 432 Ca -0.01 -0.07 -0.05 0.00 0.18 0.00 0.00 52.55 52.60 2xhb s ASP 432 Cb -0.01 -1.90 -0.04 0.00 1.07 0.00 0.00 42.92 42.05 2xhb s ASP 432 CO -0.00 0.11 0.03 -0.69 1.18 0.00 0.00 175.17 175.80 2xhb s VAL 433 N 0.75 4.52 0.33 -1.27 1.01 -1.26 -1.95 120.40 122.54 2xhb s VAL 433 Ca 0.02 -0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 2xhb s VAL 433 Cb -0.14 -2.98 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 2xhb s VAL 433 CO 0.02 0.52 1.05 0.00 0.00 0.00 0.00 175.10 176.70 2xhb s ALA 434 N -0.12 3.25 0.59 5.51 0.00 0.21 -4.97 121.76 126.22 2xhb s ALA 434 Ca 0.06 0.76 -0.18 0.00 0.00 0.00 0.00 51.96 52.60 2xhb s ALA 434 Cb -0.12 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 2xhb s ALA 434 CO 0.02 -0.13 1.13 -2.14 0.00 0.00 0.00 175.76 174.63 2xhb s PRO 435 N -1.92 3.11 0.00 0.00 0.02 -1.26 -2.42 135.00 132.53 2xhb s PRO 435 Ca 0.50 1.53 0.00 0.00 0.02 0.00 0.00 61.00 63.06 2xhb s PRO 435 Cb -0.26 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.28 2xhb s PRO 435 CO 0.33 -1.03 0.00 0.00 -0.33 0.00 0.00 177.00 175.97 2xhb n GLN 436 N -1.76 0.00 0.08 5.54 -0.00 -1.26 -4.05 117.38 115.93 2xhb n GLN 436 Ca 0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 57.06 2xhb n GLN 436 Cb 0.51 0.00 0.13 0.00 -0.00 0.00 0.00 30.24 30.88 2xhb n GLN 436 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.06 176.67 2xhb h VAL 437 N 0.00 1.38 0.00 -0.39 -1.51 -1.94 -3.48 116.25 110.31 2xhb h VAL 437 Ca 0.00 -1.93 0.00 0.00 -1.23 0.00 0.00 66.70 63.54 2xhb h VAL 437 Cb 0.00 1.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2xhb h VAL 437 CO 0.00 0.57 0.00 0.61 -1.23 0.00 0.00 177.57 177.52 2xhb n GLY 438 N 0.22 0.48 3.78 5.19 0.00 -1.02 -5.03 105.19 108.81 2xhb n GLY 438 Ca -0.02 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 2xhb n GLY 438 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2xhb s HIS 439 N -2.00 2.90 0.14 1.61 3.76 -1.26 -4.68 115.29 115.76 2xhb s HIS 439 Ca 0.00 1.56 0.06 0.00 -0.15 0.00 0.00 55.06 56.52 2xhb s HIS 439 Cb 0.00 -3.30 -0.04 0.00 1.11 0.00 0.00 32.58 30.35 2xhb s HIS 439 CO 0.00 -1.34 0.03 0.15 -0.85 0.00 0.00 174.74 172.73 2xhb s LYS 440 N -2.84 2.57 -0.06 1.40 -0.14 -1.26 -0.62 119.74 118.78 2xhb s LYS 440 Ca 0.65 -0.95 -0.02 0.00 -1.36 0.00 0.00 55.97 54.29 2xhb s LYS 440 Cb -0.26 -2.49 0.04 0.00 -1.68 0.00 0.00 37.83 33.44 2xhb s LYS 440 CO 0.31 0.49 0.12 -0.06 -0.76 0.00 0.00 175.35 175.45 2xhb s PHE 441 N -1.57 -0.11 0.50 3.18 0.08 -0.82 -1.82 117.98 117.41 2xhb s PHE 441 Ca 0.28 0.40 -0.22 0.00 0.12 0.00 0.00 56.93 57.51 2xhb s PHE 441 Cb -0.10 -0.15 -0.06 0.00 -0.57 0.00 0.00 43.02 42.13 2xhb s PHE 441 CO 0.19 -0.16 1.23 0.00 -0.10 0.00 0.00 175.22 176.39 2xhb n LYS 443 N -0.73 -0.67 0.07 0.00 4.76 -0.79 -4.74 118.16 116.07 2xhb n LYS 443 Ca 0.09 -0.46 -0.03 0.00 -2.87 0.00 0.00 58.31 55.04 2xhb n LYS 443 Cb 0.47 -0.96 0.21 0.00 -1.84 0.00 0.00 35.03 32.91 2xhb n LYS 443 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2xhb h ASP 444 N 0.00 0.32 -4.63 4.39 5.19 -1.94 -3.45 116.42 116.31 2xhb h ASP 444 Ca 0.00 -0.13 -0.25 0.00 -0.62 0.00 0.00 57.03 56.03 2xhb h ASP 444 Cb 0.02 -0.09 -0.17 0.00 0.18 0.00 0.00 39.33 39.27 2xhb h ASP 444 CO 0.00 0.68 -0.71 0.72 -3.12 0.00 0.00 179.24 176.80 2xhb s PHE 445 N -4.21 0.84 0.20 4.55 -0.71 -1.26 -5.14 117.98 112.25 2xhb s PHE 445 Ca -0.05 -0.75 -0.30 0.00 -1.04 0.00 0.00 56.93 54.79 2xhb s PHE 445 Cb 0.13 -0.49 -0.08 0.00 -1.21 0.00 0.00 43.02 41.38 2xhb s PHE 445 CO 0.78 -0.11 0.98 -1.25 -1.34 0.00 0.00 175.22 174.28 2xhb s PRO 446 N -2.99 4.76 0.80 1.99 0.05 -1.26 -4.98 135.00 133.37 2xhb s PRO 446 Ca 0.04 1.54 -0.11 0.00 0.05 0.00 0.00 61.00 62.52 2xhb s PRO 446 Cb -0.01 -3.30 0.07 0.00 0.05 0.00 0.00 34.50 31.32 2xhb s PRO 446 CO -0.03 0.35 1.09 0.20 0.05 0.00 0.00 177.00 178.66 2xhb s GLY 447 N -0.68 1.66 0.06 0.56 0.00 -1.26 -4.86 107.32 102.80 2xhb s GLY 447 Ca 0.44 0.14 -0.24 0.00 0.00 0.00 0.00 44.72 45.06 2xhb s GLY 447 CO 0.33 0.52 1.38 -2.75 0.00 0.00 0.00 173.10 172.58 2xhb h PHE 448 N -1.21 -0.97 0.23 1.90 3.57 -1.95 -1.86 116.94 116.65 2xhb h PHE 448 Ca -0.45 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 2xhb h PHE 448 Cb 1.25 0.38 0.00 0.00 2.79 0.00 0.00 35.95 40.37 2xhb h PHE 448 CO 0.53 -0.45 -0.11 0.82 -2.23 0.00 0.00 178.31 176.87 2xhb h ILE 449 N -0.65 0.81 -0.97 1.41 5.03 -1.94 -2.74 117.51 118.46 2xhb h ILE 449 Ca -0.04 -0.25 0.17 0.00 -0.12 0.00 0.00 64.86 64.62 2xhb h ILE 449 Cb 0.58 0.96 -0.10 0.00 -3.03 0.00 0.00 36.82 35.23 2xhb h ILE 449 CO -0.07 0.06 0.57 -0.65 -0.68 0.00 0.00 178.15 177.38 2xhb h PRO 450 N -0.44 0.74 -0.37 2.37 0.11 -1.79 0.44 132.00 133.05 2xhb h PRO 450 Ca -0.03 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.91 2xhb h PRO 450 Cb 0.34 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 2xhb h PRO 450 CO 0.05 0.49 -0.27 0.66 -0.21 0.00 0.00 178.00 178.72 2xhb h SER 451 N 0.76 0.80 -0.48 -2.05 4.64 -1.29 0.29 113.55 116.22 2xhb h SER 451 Ca 0.54 -0.31 -0.09 0.00 -0.47 0.00 0.00 61.79 61.47 2xhb h SER 451 Cb 0.79 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 2xhb h SER 451 CO -0.37 1.03 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.52 2xhb h LEU 452 N 0.67 0.86 -0.80 5.97 3.38 -0.96 -2.28 115.31 122.14 2xhb h LEU 452 Ca 0.08 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2xhb h LEU 452 Cb 0.80 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2xhb h LEU 452 CO 0.07 0.98 0.09 -0.07 0.09 0.00 0.00 178.44 179.59 2xhb h LEU 453 N 0.72 0.94 -1.16 1.67 3.38 0.07 -2.07 115.31 118.87 2xhb h LEU 453 Ca 0.13 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2xhb h LEU 453 Cb 0.56 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2xhb h LEU 453 CO 0.03 0.95 0.51 1.23 0.09 0.00 0.00 178.44 181.25 2xhb h GLY 454 N 1.03 1.15 1.74 0.83 0.00 -0.33 -2.71 103.07 104.77 2xhb h GLY 454 Ca 0.19 -0.45 -0.21 0.00 0.00 0.00 0.00 47.33 46.85 2xhb h GLY 454 CO 0.01 0.44 -0.93 -0.55 0.00 0.00 0.00 176.54 175.51 2xhb h ASP 455 N 1.10 0.31 -0.77 0.19 3.32 -1.20 -1.84 116.42 117.54 2xhb h ASP 455 Ca 0.29 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 57.11 2xhb h ASP 455 Cb -0.08 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 2xhb h ASP 455 CO -0.06 1.08 0.49 -0.07 -1.72 0.00 0.00 179.24 178.97 2xhb h LEU 456 N 0.12 0.82 -0.07 1.55 3.38 -1.18 0.39 115.31 120.31 2xhb h LEU 456 Ca -0.06 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 2xhb h LEU 456 Cb 1.58 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 42.15 2xhb h LEU 456 CO 0.15 0.57 -0.50 -0.07 0.09 0.00 0.00 178.44 178.68 2xhb h LEU 457 N 0.97 0.57 -1.28 1.67 3.38 -1.45 -1.18 115.31 117.98 2xhb h LEU 457 Ca 0.30 -0.67 0.08 0.00 0.09 0.00 0.00 57.88 57.69 2xhb h LEU 457 Cb -0.01 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 2xhb h LEU 457 CO -0.10 1.15 0.53 -0.33 0.09 0.00 0.00 178.44 179.78 2xhb h GLU 458 N 0.03 0.80 -0.35 1.13 4.39 -1.20 -0.37 114.58 119.01 2xhb h GLU 458 Ca -0.04 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.46 2xhb h GLU 458 Cb 1.16 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 2xhb h GLU 458 CO 0.10 0.53 -0.37 1.49 -1.16 0.00 0.00 179.01 179.60 2xhb h GLU 459 N 0.83 0.83 -0.53 2.33 4.22 -0.87 -2.34 114.58 119.04 2xhb h GLU 459 Ca 0.37 -0.42 -0.00 0.00 0.08 0.00 0.00 59.36 59.38 2xhb h GLU 459 Cb 0.35 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2xhb h GLU 459 CO -0.14 1.06 0.32 -0.09 -2.18 0.00 0.00 179.01 177.97 2xhb h ARG 460 N 0.68 0.73 -0.39 1.92 2.43 0.17 0.26 114.38 120.18 2xhb h ARG 460 Ca 0.06 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 2xhb h ARG 460 Cb 0.94 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2xhb h ARG 460 CO 0.09 0.54 -0.28 1.96 -1.51 0.00 0.00 179.97 180.76 2xhb h GLN 461 N 0.72 0.82 -0.19 0.20 1.08 -1.17 -0.90 115.11 115.67 2xhb h GLN 461 Ca 0.19 -0.37 -0.06 0.00 -1.45 0.00 0.00 58.65 56.96 2xhb h GLN 461 Cb 0.00 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2xhb h GLN 461 CO -0.03 1.00 -0.15 -0.22 -0.95 0.00 0.00 178.83 178.48 2xhb h LYS 462 N 0.70 0.32 -0.24 1.46 1.63 -1.14 -1.94 116.57 117.36 2xhb h LYS 462 Ca 0.08 -0.08 -0.11 0.00 -0.85 0.00 0.00 60.65 59.69 2xhb h LYS 462 Cb 0.82 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.41 2xhb h LYS 462 CO 0.07 0.47 -0.26 0.28 -3.45 0.00 0.00 179.45 176.56 2xhb h VAL 463 N 0.30 1.32 -0.43 2.00 2.07 -0.67 -2.94 116.25 117.90 2xhb h VAL 463 Ca 0.06 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 2xhb h VAL 463 Cb 0.44 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2xhb h VAL 463 CO 0.03 0.45 0.19 0.11 0.02 0.00 0.00 177.57 178.37 2xhb h LYS 464 N 0.31 0.60 0.37 1.57 1.57 -0.85 0.15 116.57 120.29 2xhb h LYS 464 Ca 0.04 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2xhb h LYS 464 Cb 0.82 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2xhb h LYS 464 CO 0.06 0.48 -0.18 0.87 -0.57 0.00 0.00 179.45 180.12 2xhb h LYS 465 N 0.61 -0.48 0.00 3.15 1.57 -1.38 -2.64 116.57 117.40 2xhb h LYS 465 Ca 0.15 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2xhb h LYS 465 Cb 0.09 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2xhb h LYS 465 CO -0.02 -0.18 -0.10 -0.22 -0.57 0.00 0.00 179.45 178.36 2xhb h LYS 466 N -0.78 0.00 0.13 3.15 3.11 -1.35 -2.49 116.57 118.34 2xhb h LYS 466 Ca -0.05 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.78 2xhb h LYS 466 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.75 2xhb h LYS 466 CO 0.08 0.10 -0.06 1.98 -2.81 0.00 0.00 179.45 178.74 2xhb h MET 467 N 0.00 -0.17 -0.36 1.90 -1.53 -0.59 -1.77 114.93 112.41 2xhb h MET 467 Ca -0.00 0.01 -0.10 0.00 -3.44 0.00 0.00 59.70 56.17 2xhb h MET 467 Cb 0.24 0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.31 2xhb h MET 467 CO 0.01 0.03 -0.19 0.87 0.14 0.00 0.00 176.91 177.77 2xhb h LYS 468 N -0.34 0.68 0.48 0.39 1.57 -1.20 -3.25 116.57 114.90 2xhb h LYS 468 Ca -0.02 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 2xhb h LYS 468 Cb 0.27 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2xhb h LYS 468 CO 0.03 0.82 -0.23 0.00 -0.57 0.00 0.00 179.45 179.50 2xhb h ALA 469 N 1.19 -0.64 -2.85 3.86 0.00 -1.46 -3.43 119.26 115.94 2xhb h ALA 469 Ca 0.09 -0.19 -0.53 0.00 0.00 0.00 0.00 54.91 54.28 2xhb h ALA 469 Cb 0.66 0.25 0.09 0.00 0.00 0.00 0.00 17.79 18.79 2xhb h ALA 469 CO 0.05 -0.72 0.85 0.99 0.00 0.00 0.00 179.25 180.42 2xhb s THR 470 N -4.90 2.06 -0.22 0.00 2.01 -0.67 -4.93 115.64 108.98 2xhb s THR 470 Ca -0.15 0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.92 2xhb s THR 470 Cb 0.02 -3.03 0.01 0.00 0.01 0.00 0.00 72.50 69.51 2xhb s THR 470 CO 0.52 0.01 0.48 -0.38 -0.69 0.00 0.00 174.62 174.56 2xhb n ILE 471 N 1.63 0.00 -1.77 1.82 5.41 -1.26 -4.80 119.36 120.38 2xhb n ILE 471 Ca 0.06 -0.49 -0.43 0.00 1.00 0.00 0.00 62.75 62.89 2xhb n ILE 471 Cb 0.38 1.03 -0.03 0.00 -0.71 0.00 0.00 39.64 40.31 2xhb n ILE 471 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2xhb s ASP 472 N -0.34 5.66 0.46 4.38 3.68 -1.26 -4.85 116.67 124.39 2xhb s ASP 472 Ca 0.02 1.67 0.22 0.00 2.13 0.00 0.00 52.55 56.59 2xhb s ASP 472 Cb 0.02 -2.52 1.21 0.00 -1.45 0.00 0.00 42.92 40.18 2xhb s ASP 472 CO 0.03 -1.84 1.88 -0.65 0.13 0.00 0.00 175.17 174.73 2xhb h PRO 473 N 14.06 0.26 -0.06 4.34 0.11 -1.98 0.26 132.00 148.99 2xhb h PRO 473 Ca -0.38 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 65.46 2xhb h PRO 473 Cb 1.21 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 32.28 2xhb h PRO 473 CO 0.99 0.17 -0.93 0.82 -0.21 0.00 0.00 178.00 178.83 2xhb h ILE 474 N 0.27 1.28 0.00 4.15 1.08 -1.99 -2.51 117.51 119.77 2xhb h ILE 474 Ca 0.44 -2.13 -0.00 0.00 -0.39 0.00 0.00 64.86 62.78 2xhb h ILE 474 Cb 1.28 2.21 -0.00 0.00 -3.07 0.00 0.00 36.82 37.25 2xhb h ILE 474 CO -0.12 0.67 -0.00 -0.33 -0.69 0.00 0.00 178.15 177.68 2xhb h GLU 475 N 0.46 0.00 -0.04 2.37 5.08 -1.47 -1.51 114.58 119.47 2xhb h GLU 475 Ca -0.10 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 2xhb h GLU 475 Cb 1.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 2xhb h GLU 475 CO 0.19 0.00 -0.62 -0.22 -1.00 0.00 0.00 179.01 177.35 2xhb h LYS 476 N 0.00 0.15 0.01 2.33 1.63 -0.52 -1.48 116.57 118.69 2xhb h LYS 476 Ca -0.00 -0.10 -0.22 0.00 -0.85 0.00 0.00 60.65 59.47 2xhb h LYS 476 Cb 0.90 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.52 2xhb h LYS 476 CO 0.00 0.72 -1.07 -0.22 -3.45 0.00 0.00 179.45 175.43 2xhb h LYS 477 N 0.11 0.02 -0.13 1.90 3.11 -1.33 -2.85 116.57 117.39 2xhb h LYS 477 Ca -0.01 -0.04 -0.08 0.00 -2.81 0.00 0.00 60.65 57.72 2xhb h LYS 477 Cb 1.12 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.37 2xhb h LYS 477 CO 0.09 0.99 -0.21 1.25 -2.81 0.00 0.00 179.45 178.75 2xhb h LEU 478 N 0.01 0.42 -1.11 5.20 6.46 -1.19 -2.44 115.31 122.65 2xhb h LEU 478 Ca -0.04 -0.53 -0.08 0.00 -0.12 0.00 0.00 57.88 57.11 2xhb h LEU 478 Cb 1.80 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.60 2xhb h LEU 478 CO 0.13 0.87 -0.37 -0.07 -0.62 0.00 0.00 178.44 178.38 2xhb h LEU 479 N -0.02 0.00 -0.59 2.25 3.38 -1.40 -2.23 115.31 116.70 2xhb h LEU 479 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2xhb h LEU 479 Cb 0.78 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 2xhb h LEU 479 CO 0.05 0.37 0.31 -0.78 0.09 0.00 0.00 178.44 178.47 2xhb h ASP 480 N 0.00 0.74 -0.35 -0.43 3.58 -1.45 -2.72 116.42 115.80 2xhb h ASP 480 Ca -0.00 -0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.29 2xhb h ASP 480 Cb 0.80 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 2xhb h ASP 480 CO 0.05 0.64 0.04 1.88 -2.88 0.00 0.00 179.24 178.97 2xhb h TYR 481 N 0.79 0.63 -0.27 0.28 0.05 -1.03 -2.13 116.97 115.29 2xhb h TYR 481 Ca 0.20 -0.09 0.05 0.00 0.05 0.00 0.00 58.73 58.94 2xhb h TYR 481 Cb 0.07 -0.17 -0.05 0.00 1.01 0.00 0.00 36.73 37.60 2xhb h TYR 481 CO -0.01 0.66 -0.03 -0.09 -1.05 0.00 0.00 178.16 177.64 2xhb h ARG 482 N 0.41 0.04 -0.80 4.88 2.43 -1.35 0.18 114.38 120.18 2xhb h ARG 482 Ca 0.10 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2xhb h ARG 482 Cb 0.38 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 2xhb h ARG 482 CO 0.01 0.03 0.51 0.37 -1.51 0.00 0.00 179.97 179.38 2xhb h GLN 483 N 0.05 0.95 -0.37 0.20 -0.00 -1.49 -2.06 115.11 112.39 2xhb h GLN 483 Ca 0.13 -0.06 -0.06 0.00 -0.00 0.00 0.00 58.65 58.66 2xhb h GLN 483 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 27.48 27.43 2xhb h GLN 483 CO -0.24 0.63 -0.02 0.00 0.00 0.00 0.00 178.83 179.20 2xhb h ARG 484 N 0.98 0.60 -0.21 1.69 3.08 -0.57 -2.62 114.38 117.33 2xhb h ARG 484 Ca 0.32 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 2xhb h ARG 484 Cb 0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2xhb h ARG 484 CO -0.12 0.63 -0.39 0.00 -1.07 0.00 0.00 179.97 179.02 2xhb h ALA 485 N 1.42 0.92 -0.22 0.04 0.00 -0.21 -2.33 119.26 118.88 2xhb h ALA 485 Ca 0.12 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 2xhb h ALA 485 Cb 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2xhb h ALA 485 CO 0.02 0.63 -0.29 0.82 0.00 0.00 0.00 179.25 180.42 2xhb h ILE 486 N 0.41 1.27 -0.06 0.00 2.04 -1.20 -2.18 117.51 117.79 2xhb h ILE 486 Ca 0.04 -1.34 -0.00 0.00 1.00 0.00 0.00 64.86 64.56 2xhb h ILE 486 Cb 0.87 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 38.37 2xhb h ILE 486 CO 0.07 0.42 0.02 0.50 0.00 0.00 0.00 178.15 179.16 2xhb h LYS 487 N 0.39 0.09 -0.92 2.37 3.64 -1.23 0.15 116.57 121.05 2xhb h LYS 487 Ca 0.05 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2xhb h LYS 487 Cb 0.72 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 2xhb h LYS 487 CO 0.05 0.27 0.57 0.82 -2.27 0.00 0.00 179.45 178.89 2xhb h ILE 488 N -0.11 1.25 -0.06 2.00 2.04 -1.34 0.23 117.51 121.53 2xhb h ILE 488 Ca 0.02 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 2xhb h ILE 488 Cb 0.22 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 2xhb h ILE 488 CO -0.00 0.26 -0.04 0.25 0.00 0.00 0.00 178.15 178.62 2xhb h LEU 489 N 1.27 0.14 -0.87 1.44 5.85 -1.33 -3.08 115.31 118.72 2xhb h LEU 489 Ca 0.33 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2xhb h LEU 489 Cb -0.07 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2xhb h LEU 489 CO -0.06 0.54 0.53 0.00 -0.34 0.00 0.00 178.44 179.11 2xhb h ALA 490 N 0.60 1.11 0.00 1.25 0.00 -0.55 -2.19 119.26 119.49 2xhb h ALA 490 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2xhb h ALA 490 Cb 0.49 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2xhb h ALA 490 CO 0.01 0.57 0.00 0.09 0.00 0.00 0.00 179.25 179.92 2xhb n ASN 491 N -4.42 0.00 0.02 0.00 3.02 0.06 -2.96 115.26 110.97 2xhb n ASN 491 Ca 0.09 0.07 0.11 0.00 -0.03 0.00 0.00 54.58 54.82 2xhb n ASN 491 Cb 0.05 -0.28 -0.08 0.00 -0.61 0.00 0.00 39.78 38.87 2xhb n ASN 491 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2xhb n SER 492 N -1.28 0.45 -0.20 6.41 7.64 -0.82 -4.41 113.62 121.41 2xhb n SER 492 Ca 0.07 -0.15 -0.06 0.00 1.01 0.00 0.00 58.87 59.73 2xhb n SER 492 Cb 0.11 1.26 0.03 0.00 -1.01 0.00 0.00 64.21 64.60 2xhb n SER 492 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2xhb h PHE 493 N 0.00 0.72 0.20 1.43 -1.00 -1.60 0.07 116.94 116.75 2xhb h PHE 493 Ca 0.00 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.80 2xhb h PHE 493 Cb 0.85 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 40.13 2xhb h PHE 493 CO 0.00 0.46 -0.49 -0.92 -1.61 0.00 0.00 178.31 175.76 2xhb h TYR 494 N 0.77 -1.38 -0.85 -0.55 3.20 -1.80 -1.65 116.97 114.71 2xhb h TYR 494 Ca 0.21 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.19 2xhb h TYR 494 Cb -0.07 0.58 -0.06 0.00 1.54 0.00 0.00 36.73 38.72 2xhb h TYR 494 CO -0.03 -0.59 0.55 0.78 -1.64 0.00 0.00 178.16 177.23 2xhb h GLY 495 N -0.77 1.20 1.77 1.82 0.00 -1.77 -2.59 103.07 102.72 2xhb h GLY 495 Ca -0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 2xhb h GLY 495 CO -0.23 0.24 -0.06 -1.82 0.00 0.00 0.00 176.54 174.67 2xhb h TYR 496 N 0.89 0.30 -0.49 5.60 3.20 -0.14 -2.77 116.97 123.56 2xhb h TYR 496 Ca 0.38 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.29 2xhb h TYR 496 Cb 0.31 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 2xhb h TYR 496 CO -0.00 0.36 0.33 1.88 -1.64 0.00 0.00 178.16 179.09 2xhb h TYR 497 N 0.28 0.38 -0.65 -3.82 0.05 -0.91 -2.11 116.97 110.19 2xhb h TYR 497 Ca 0.06 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.85 2xhb h TYR 497 Cb 0.30 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.91 2xhb h TYR 497 CO 0.01 0.20 0.00 0.41 -1.05 0.00 0.00 178.16 177.73 2xhb n GLY 498 N -1.52 2.67 3.75 3.88 0.00 -1.05 -1.72 105.19 111.20 2xhb n GLY 498 Ca 0.07 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 2xhb n GLY 498 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2xhb s TYR 499 N -1.37 3.30 0.03 1.61 5.04 -0.80 -4.71 117.35 120.45 2xhb s TYR 499 Ca 0.47 1.42 -0.25 0.00 -2.44 0.00 0.00 57.07 56.27 2xhb s TYR 499 Cb 0.27 -3.52 -0.18 0.00 0.35 0.00 0.00 41.96 38.88 2xhb s TYR 499 CO 0.28 -1.46 1.45 0.00 -1.34 0.00 0.00 175.55 174.47 2xhb h ALA 500 N 4.44 -0.12 -0.56 3.97 0.00 -1.93 -2.72 119.26 122.35 2xhb h ALA 500 Ca -0.46 -0.14 -0.28 0.00 0.00 0.00 0.00 54.91 54.02 2xhb h ALA 500 Cb 1.22 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.88 2xhb h ALA 500 CO 0.71 -0.44 0.36 1.63 0.00 0.00 0.00 179.25 181.51 2xhb n LYS 501 N -5.02 1.80 -2.70 0.00 4.01 -1.26 -4.76 118.16 110.23 2xhb n LYS 501 Ca -0.08 -1.73 -0.42 0.00 -0.51 0.00 0.00 58.31 55.57 2xhb n LYS 501 Cb 0.18 -1.69 -0.03 0.00 -0.51 0.00 0.00 35.03 32.98 2xhb n LYS 501 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2xhb s ALA 502 N -1.90 3.21 0.10 7.82 0.00 -1.03 -4.70 121.76 125.27 2xhb s ALA 502 Ca 0.33 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.58 2xhb s ALA 502 Cb 0.27 -3.36 -0.12 0.00 0.00 0.00 0.00 23.12 19.91 2xhb s ALA 502 CO 0.06 -0.31 1.74 0.00 0.00 0.00 0.00 175.76 177.26 2xhb h ARG 503 N 6.86 0.04 -2.01 0.00 3.08 -1.86 -3.07 114.38 117.43 2xhb h ARG 503 Ca -0.39 -0.00 -0.67 0.00 0.07 0.00 0.00 59.98 58.98 2xhb h ARG 503 Cb 1.21 -0.01 -0.24 0.00 0.08 0.00 0.00 29.97 31.01 2xhb h ARG 503 CO 0.77 0.03 0.84 0.91 -1.07 0.00 0.00 179.97 181.45 2xhb n TRP 504 N -5.08 2.48 -2.28 3.04 8.01 -1.26 -4.70 117.44 117.65 2xhb n TRP 504 Ca -0.06 -2.19 -0.38 0.00 -1.31 0.00 0.00 57.50 53.56 2xhb n TRP 504 Cb 0.04 -1.26 -0.02 0.00 -2.01 0.00 0.00 31.31 28.06 2xhb n TRP 504 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.69 176.21 2xhb s TYR 505 N -3.22 3.05 -0.34 -5.99 5.04 -1.16 -4.81 117.35 109.92 2xhb s TYR 505 Ca 0.54 1.55 0.01 0.00 -2.44 0.00 0.00 57.07 56.73 2xhb s TYR 505 Cb 0.41 -3.40 0.19 0.00 0.35 0.00 0.00 41.96 39.51 2xhb s TYR 505 CO -0.34 -1.35 0.76 0.00 -1.34 0.00 0.00 175.55 173.27 2xhb h LYS 507 N 7.06 0.79 -0.60 0.00 3.64 -1.96 -2.54 116.57 122.95 2xhb h LYS 507 Ca -0.01 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 2xhb h LYS 507 Cb 1.19 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 2xhb h LYS 507 CO 0.05 0.66 0.27 0.93 -2.27 0.00 0.00 179.45 179.10 2xhb h GLU 508 N 0.77 0.88 -0.93 1.90 3.07 -1.95 -1.37 114.58 116.95 2xhb h GLU 508 Ca 0.18 -0.14 0.09 0.00 -0.50 0.00 0.00 59.36 58.99 2xhb h GLU 508 Cb 0.19 -0.15 -0.07 0.00 -0.84 0.00 0.00 28.75 27.88 2xhb h GLU 508 CO -0.01 0.73 0.60 0.00 -1.40 0.00 0.00 179.01 178.92 2xhb h ALA 510 N 1.53 -0.28 -0.87 0.00 0.00 -1.21 -2.13 119.26 116.30 2xhb h ALA 510 Ca 0.43 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 55.35 2xhb h ALA 510 Cb 0.34 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.11 2xhb h ALA 510 CO -0.18 -0.33 0.33 0.93 0.00 0.00 0.00 179.25 180.00 2xhb h GLU 511 N -0.93 0.34 -0.24 0.00 5.08 -1.20 0.82 114.58 118.44 2xhb h GLU 511 Ca -0.03 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2xhb h GLU 511 Cb 0.48 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2xhb h GLU 511 CO 0.05 0.22 0.08 0.77 -1.00 0.00 0.00 179.01 179.13 2xhb h SER 512 N 0.35 0.34 -0.59 1.42 0.02 -1.13 -0.13 113.55 113.83 2xhb h SER 512 Ca 0.53 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 61.23 2xhb h SER 512 Cb 1.01 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.43 2xhb h SER 512 CO -0.55 0.45 0.16 0.58 -1.14 0.00 0.00 176.83 176.34 2xhb h VAL 513 N 0.22 1.24 0.16 2.27 2.07 -0.59 -1.60 116.25 120.02 2xhb h VAL 513 Ca 0.08 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.73 2xhb h VAL 513 Cb 0.23 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2xhb h VAL 513 CO -0.00 0.33 -0.17 0.74 0.02 0.00 0.00 177.57 178.49 2xhb h THR 514 N 0.93 0.62 -0.07 2.57 2.02 -0.68 -1.48 112.91 116.80 2xhb h THR 514 Ca 0.20 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.42 2xhb h THR 514 Cb 0.31 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 2xhb h THR 514 CO -0.00 0.00 -0.23 0.00 0.37 0.00 0.00 175.52 175.66 2xhb h ALA 515 N 0.43 -0.25 0.00 6.16 0.00 -0.69 -1.07 119.26 123.84 2xhb h ALA 515 Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2xhb h ALA 515 Cb 0.35 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2xhb h ALA 515 CO -0.05 -0.71 -0.09 -1.49 0.00 0.00 0.00 179.25 176.91 2xhb h TRP 516 N -0.32 0.00 -0.47 0.00 6.55 -1.29 -2.54 115.95 117.88 2xhb h TRP 516 Ca 0.08 0.00 -0.09 0.00 0.95 0.00 0.00 58.89 59.83 2xhb h TRP 516 Cb 0.44 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.73 2xhb h TRP 516 CO -0.31 0.09 -0.07 0.78 -1.05 0.00 0.00 178.44 177.89 2xhb h GLY 517 N 0.36 0.94 -0.37 1.49 0.00 -0.12 -3.26 103.07 102.10 2xhb h GLY 517 Ca -0.00 -0.75 0.21 0.00 0.00 0.00 0.00 47.33 46.79 2xhb h GLY 517 CO 0.01 0.68 0.16 3.21 0.00 0.00 0.00 176.54 180.60 2xhb h ARG 518 N 0.72 0.18 -0.16 4.80 2.47 -0.87 -0.02 114.38 121.51 2xhb h ARG 518 Ca 0.12 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.87 2xhb h ARG 518 Cb 0.60 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.84 2xhb h ARG 518 CO 0.04 0.12 -0.10 1.96 0.56 0.00 0.00 179.97 182.54 2xhb h GLN 519 N 0.19 -0.10 -0.19 0.04 4.20 -1.68 0.83 115.11 118.39 2xhb h GLN 519 Ca 0.49 0.01 -0.11 0.00 0.06 0.00 0.00 58.65 59.10 2xhb h GLN 519 Cb 0.94 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 2xhb h GLN 519 CO -0.64 -0.07 -0.36 1.88 -0.67 0.00 0.00 178.83 178.98 2xhb h TYR 520 N -0.10 0.48 0.14 2.96 0.05 -1.33 0.21 116.97 119.38 2xhb h TYR 520 Ca 0.09 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 2xhb h TYR 520 Cb 0.24 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.88 2xhb h TYR 520 CO -0.24 0.72 -0.07 0.82 -1.05 0.00 0.00 178.16 178.34 2xhb h ILE 521 N 0.35 1.02 -0.18 -2.88 2.04 -0.52 -0.30 117.51 117.05 2xhb h ILE 521 Ca 0.04 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 65.19 2xhb h ILE 521 Cb 0.79 1.49 -0.06 0.00 -0.74 0.00 0.00 36.82 38.30 2xhb h ILE 521 CO 0.06 0.18 -0.20 -0.33 0.00 0.00 0.00 178.15 177.86 2xhb h GLU 522 N -0.56 -0.22 -0.74 2.37 5.08 0.80 -0.47 114.58 120.85 2xhb h GLU 522 Ca -0.02 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2xhb h GLU 522 Cb 0.43 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2xhb h GLU 522 CO 0.03 -0.15 0.47 1.15 -1.00 0.00 0.00 179.01 179.52 2xhb h THR 523 N -0.23 1.12 -0.52 1.13 2.02 -0.59 0.80 112.91 116.65 2xhb h THR 523 Ca 0.12 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 2xhb h THR 523 Cb 0.40 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 2xhb h THR 523 CO -0.31 0.17 0.23 0.74 0.37 0.00 0.00 175.52 176.72 2xhb h THR 524 N 0.93 1.20 -0.31 3.16 2.02 -0.58 -0.53 112.91 118.80 2xhb h THR 524 Ca 0.29 -0.60 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 2xhb h THR 524 Cb -0.01 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2xhb h THR 524 CO -0.10 0.23 -0.18 0.40 0.37 0.00 0.00 175.52 176.24 2xhb h ILE 525 N 0.69 1.25 -0.11 3.11 2.04 -0.66 -2.06 117.51 121.77 2xhb h ILE 525 Ca 0.18 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 2xhb h ILE 525 Cb 0.15 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2xhb h ILE 525 CO -0.02 0.38 0.03 -0.09 0.00 0.00 0.00 178.15 178.45 2xhb h ARG 526 N 0.51 0.18 -0.39 2.37 2.43 -0.43 -2.94 114.38 116.11 2xhb h ARG 526 Ca 0.08 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2xhb h ARG 526 Cb 0.60 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 2xhb h ARG 526 CO 0.04 0.36 0.11 0.93 -1.51 0.00 0.00 179.97 179.90 2xhb h GLU 527 N -0.02 0.61 0.00 0.20 4.39 -0.98 -2.38 114.58 116.39 2xhb h GLU 527 Ca 0.04 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 2xhb h GLU 527 Cb 0.26 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2xhb h GLU 527 CO 0.00 0.63 -0.25 0.97 -1.16 0.00 0.00 179.01 179.20 2xhb h ILE 528 N 0.48 1.05 0.11 3.13 2.10 -1.42 -1.09 117.51 121.87 2xhb h ILE 528 Ca 0.12 -0.90 -0.16 0.00 1.08 0.00 0.00 64.86 65.01 2xhb h ILE 528 Cb 0.29 1.50 0.02 0.00 -1.09 0.00 0.00 36.82 37.53 2xhb h ILE 528 CO -0.00 0.25 -0.71 -0.33 -1.08 0.00 0.00 178.15 176.27 2xhb h GLU 529 N 0.00 0.24 0.09 2.19 5.08 -1.43 -1.79 114.58 118.96 2xhb h GLU 529 Ca -0.00 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2xhb h GLU 529 Cb 0.48 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2xhb h GLU 529 CO 0.03 1.19 -0.04 0.93 -1.00 0.00 0.00 179.01 180.12 2xhb h GLU 530 N -0.49 -0.11 0.00 2.33 5.08 -1.33 -1.86 114.58 118.20 2xhb h GLU 530 Ca -0.13 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2xhb h GLU 530 Cb 1.53 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.80 2xhb h GLU 530 CO 0.11 -0.08 0.00 0.87 -1.00 0.00 0.00 179.01 178.92 2xhb h LYS 531 N -0.91 0.00 0.00 2.33 1.57 -1.44 -3.35 116.57 114.78 2xhb h LYS 531 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2xhb h LYS 531 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2xhb h LYS 531 CO 0.02 0.00 -0.24 1.19 -0.57 0.00 0.00 179.45 179.85 2xhb n PHE 532 N -2.87 0.00 -0.76 -1.35 3.01 -1.23 -5.06 117.46 109.20 2xhb n PHE 532 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2xhb n PHE 532 Cb 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 2xhb n PHE 532 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2xhb n GLY 533 N 1.02 0.61 3.82 1.37 0.00 -0.70 -4.96 105.19 106.35 2xhb n GLY 533 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 2xhb n GLY 533 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2xhb s PHE 534 N -2.00 3.10 -0.20 1.61 0.40 -0.71 -4.66 117.98 115.53 2xhb s PHE 534 Ca 0.00 1.44 0.00 0.00 -0.60 0.00 0.00 56.93 57.77 2xhb s PHE 534 Cb 0.00 -2.90 0.02 0.00 0.51 0.00 0.00 43.02 40.65 2xhb s PHE 534 CO 0.00 -1.18 -0.16 0.21 0.70 0.00 0.00 175.22 174.79 2xhb s LYS 535 N -4.84 2.99 -0.21 0.44 2.20 0.16 -4.17 119.74 116.32 2xhb s LYS 535 Ca 0.59 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 55.07 2xhb s LYS 535 Cb -0.14 -2.70 -0.01 0.00 -1.51 0.00 0.00 37.83 33.48 2xhb s LYS 535 CO 0.51 -0.25 1.21 0.08 -0.36 0.00 0.00 175.35 176.55 2xhb s VAL 536 N 1.31 4.35 -0.09 4.02 1.01 -1.26 -2.24 120.40 127.51 2xhb s VAL 536 Ca 0.04 1.62 -0.04 0.00 0.00 0.00 0.00 61.98 63.60 2xhb s VAL 536 Cb -0.14 -4.11 -0.26 0.00 0.00 0.00 0.00 36.38 31.87 2xhb s VAL 536 CO -0.10 -0.21 0.50 -0.07 0.00 0.00 0.00 175.10 175.21 2xhb h LEU 537 N 9.86 0.37 -7.26 3.92 3.38 -1.31 -3.44 115.31 120.83 2xhb h LEU 537 Ca -0.25 -0.75 -0.11 0.00 0.09 0.00 0.00 57.88 56.86 2xhb h LEU 537 Cb 1.09 -0.12 -0.24 0.00 0.09 0.00 0.00 40.66 41.48 2xhb h LEU 537 CO 0.98 1.67 -0.21 -0.47 0.09 0.00 0.00 178.44 180.50 2xhb s TYR 538 N -2.57 -0.53 -0.08 1.13 5.04 -1.17 -0.89 117.35 118.27 2xhb s TYR 538 Ca -0.17 1.24 -0.04 0.00 -2.44 0.00 0.00 57.07 55.66 2xhb s TYR 538 Cb 0.07 0.20 0.04 0.00 0.35 0.00 0.00 41.96 42.62 2xhb s TYR 538 CO 0.80 -0.27 0.18 0.00 -1.34 0.00 0.00 175.55 174.92 2xhb s ALA 539 N 0.55 -0.35 0.10 3.97 0.00 -1.26 0.22 121.76 124.99 2xhb s ALA 539 Ca -0.03 0.77 0.01 0.00 0.00 0.00 0.00 51.96 52.71 2xhb s ALA 539 Cb -0.04 -0.58 -0.00 0.00 0.00 0.00 0.00 23.12 22.49 2xhb s ALA 539 CO -0.03 -0.24 0.04 -0.40 0.00 0.00 0.00 175.76 175.13 2xhb n ASP 540 N 4.41 0.81 0.24 0.00 3.85 0.67 -2.92 116.55 123.62 2xhb n ASP 540 Ca -0.23 -1.52 0.16 0.00 -0.71 0.00 0.00 54.79 52.49 2xhb n ASP 540 Cb 0.52 0.27 0.87 0.00 -1.35 0.00 0.00 41.12 41.43 2xhb n ASP 540 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2xhb h THR 541 N 1.18 0.49 0.01 2.12 1.03 -1.89 -3.06 112.91 112.79 2xhb h THR 541 Ca -0.07 0.00 -0.35 0.00 -0.01 0.00 0.00 66.41 65.97 2xhb h THR 541 Cb 0.29 0.90 -0.06 0.00 -1.07 0.00 0.00 68.15 68.22 2xhb h THR 541 CO 0.11 0.00 -2.18 0.47 -0.01 0.00 0.00 175.52 173.92 2xhb n ASP 542 N -3.81 0.85 0.00 0.00 10.43 -1.26 -4.62 116.55 118.14 2xhb n ASP 542 Ca -0.00 0.11 0.00 0.00 2.57 0.00 0.00 54.79 57.47 2xhb n ASP 542 Cb 0.23 0.23 0.00 0.00 1.84 0.00 0.00 41.12 43.42 2xhb n ASP 542 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2xhb n GLY 543 N 1.82 -1.13 3.19 0.44 0.00 -1.16 0.47 105.19 108.82 2xhb n GLY 543 Ca -0.31 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 2xhb n GLY 543 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2xhb s PHE 544 N -3.00 -0.14 -0.02 1.61 -0.71 -0.19 -0.24 117.98 115.29 2xhb s PHE 544 Ca 0.00 0.23 -0.06 0.00 -1.04 0.00 0.00 56.93 56.07 2xhb s PHE 544 Cb 0.00 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.82 2xhb s PHE 544 CO 0.00 -0.32 0.22 -0.06 -1.34 0.00 0.00 175.22 173.72 2xhb s PHE 545 N -1.11 3.58 -0.01 3.49 0.40 0.13 -1.61 117.98 122.85 2xhb s PHE 545 Ca -0.12 0.51 -0.22 0.00 -0.60 0.00 0.00 56.93 56.51 2xhb s PHE 545 Cb -0.05 -1.94 0.04 0.00 0.51 0.00 0.00 43.02 41.58 2xhb s PHE 545 CO 0.03 0.65 0.48 0.00 0.70 0.00 0.00 175.22 177.08 2xhb s ALA 546 N -1.25 -1.22 0.26 5.36 0.00 -0.42 -0.74 121.76 123.75 2xhb s ALA 546 Ca 0.25 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.92 2xhb s ALA 546 Cb -0.13 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 2xhb s ALA 546 CO 0.14 -0.35 0.23 -0.08 0.00 0.00 0.00 175.76 175.70 2xhb s THR 547 N -1.56 0.00 -0.30 0.00 -1.32 -0.95 -1.08 115.64 110.43 2xhb s THR 547 Ca -0.11 -1.93 -0.01 0.00 -1.21 0.00 0.00 61.69 58.44 2xhb s THR 547 Cb -0.02 -2.49 0.06 0.00 -1.51 0.00 0.00 72.50 68.53 2xhb s THR 547 CO 0.05 0.00 -0.01 -0.63 -2.21 0.00 0.00 174.62 171.82 2xhb s ILE 548 N -3.82 2.80 0.02 5.08 1.01 -1.26 0.36 121.20 125.38 2xhb s ILE 548 Ca 0.38 -1.54 -0.36 0.00 0.00 0.00 0.00 60.65 59.13 2xhb s ILE 548 Cb 0.04 -2.66 -0.15 0.00 0.01 0.00 0.00 42.46 39.70 2xhb s ILE 548 CO 0.18 -0.16 1.53 -2.65 0.00 0.00 0.00 174.94 173.84 2xhb n PRO 549 N 4.56 1.51 -0.50 2.79 -0.02 -1.26 -1.60 135.00 140.48 2xhb n PRO 549 Ca -0.12 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2xhb n PRO 549 Cb 0.43 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2xhb n PRO 549 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2xhb n GLY 550 N 3.25 1.30 3.87 -1.23 0.00 -1.26 -5.03 105.19 106.09 2xhb n GLY 550 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 2xhb n GLY 550 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xhb s ALA 551 N -3.24 3.42 0.58 4.61 0.00 -0.62 -5.08 121.76 121.43 2xhb s ALA 551 Ca 0.00 -0.20 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 2xhb s ALA 551 Cb 0.00 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 2xhb s ALA 551 CO 0.00 0.20 1.06 0.34 0.00 0.00 0.00 175.76 177.37 2xhb s ASP 552 N -2.80 5.78 0.25 0.00 2.15 -1.26 -4.93 116.67 115.86 2xhb s ASP 552 Ca 0.50 1.87 -0.03 0.00 0.43 0.00 0.00 52.55 55.32 2xhb s ASP 552 Cb -0.10 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.41 2xhb s ASP 552 CO 0.26 -1.17 1.81 0.00 -0.17 0.00 0.00 175.17 175.90 2xhb h ALA 553 N 0.58 1.25 -0.43 3.66 0.00 -1.98 -2.73 119.26 119.61 2xhb h ALA 553 Ca -0.47 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 2xhb h ALA 553 Cb 1.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2xhb h ALA 553 CO 0.57 0.12 -0.28 0.93 0.00 0.00 0.00 179.25 180.59 2xhb h GLU 554 N 0.83 0.96 -0.14 0.00 4.39 -2.00 -2.08 114.58 116.54 2xhb h GLU 554 Ca 0.42 -0.45 0.04 0.00 0.34 0.00 0.00 59.36 59.71 2xhb h GLU 554 Cb 0.39 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 2xhb h GLU 554 CO -0.25 1.11 -0.13 1.15 -1.16 0.00 0.00 179.01 179.73 2xhb h THR 555 N 0.79 0.63 -0.27 1.13 2.02 -1.91 -0.70 112.91 114.60 2xhb h THR 555 Ca 0.09 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.31 2xhb h THR 555 Cb 0.87 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 2xhb h THR 555 CO 0.08 0.00 0.05 0.58 0.37 0.00 0.00 175.52 176.60 2xhb h VAL 556 N -0.15 0.87 -0.09 3.16 2.07 -1.25 0.69 116.25 121.54 2xhb h VAL 556 Ca 0.09 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.60 2xhb h VAL 556 Cb 0.29 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 2xhb h VAL 556 CO -0.23 0.03 -0.17 0.11 0.02 0.00 0.00 177.57 177.33 2xhb h LYS 557 N 0.15 -0.22 -0.25 1.57 1.57 -1.29 0.22 116.57 118.31 2xhb h LYS 557 Ca 0.13 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2xhb h LYS 557 Cb 0.13 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2xhb h LYS 557 CO -0.17 -0.15 0.15 -0.22 -0.57 0.00 0.00 179.45 178.50 2xhb h LYS 558 N -0.23 0.35 -0.11 3.15 3.64 -0.31 -0.35 116.57 122.70 2xhb h LYS 558 Ca 0.08 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 2xhb h LYS 558 Cb 0.34 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2xhb h LYS 558 CO -0.22 0.28 -0.37 0.87 -2.27 0.00 0.00 179.45 177.74 2xhb h LYS 559 N 0.31 0.24 -0.26 1.90 6.56 0.47 -1.19 116.57 124.60 2xhb h LYS 559 Ca 0.09 -0.10 -0.07 0.00 -1.06 0.00 0.00 60.65 59.51 2xhb h LYS 559 Cb 0.03 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.67 2xhb h LYS 559 CO -0.02 0.58 -0.09 0.00 -2.06 0.00 0.00 179.45 177.86 2xhb h ALA 560 N 1.41 0.37 -0.29 3.86 0.00 -0.11 -0.73 119.26 123.78 2xhb h ALA 560 Ca 0.02 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2xhb h ALA 560 Cb 0.76 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2xhb h ALA 560 CO 0.06 0.20 -0.14 0.87 0.00 0.00 0.00 179.25 180.24 2xhb h LYS 561 N 0.27 0.49 -0.71 0.00 1.57 -0.99 -1.11 116.57 116.09 2xhb h LYS 561 Ca 0.06 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 2xhb h LYS 561 Cb 0.58 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 2xhb h LYS 561 CO 0.03 0.62 0.20 0.93 -0.57 0.00 0.00 179.45 180.66 2xhb h GLU 562 N 0.45 1.11 -0.52 3.15 5.08 -1.06 -2.85 114.58 119.95 2xhb h GLU 562 Ca 0.08 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 2xhb h GLU 562 Cb 0.51 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2xhb h GLU 562 CO 0.03 0.97 0.04 0.35 -1.00 0.00 0.00 179.01 179.40 2xhb h PHE 563 N 1.05 0.89 0.03 4.33 3.57 -0.59 -2.50 116.94 123.71 2xhb h PHE 563 Ca 0.22 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2xhb h PHE 563 Cb 0.33 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2xhb h PHE 563 CO 0.03 0.80 -0.01 1.25 -2.23 0.00 0.00 178.31 178.14 2xhb h LEU 564 N 0.79 -0.03 -1.37 0.59 5.85 -1.05 0.11 115.31 120.20 2xhb h LEU 564 Ca 0.16 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2xhb h LEU 564 Cb 0.42 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2xhb h LEU 564 CO 0.01 -0.01 0.35 0.44 -0.34 0.00 0.00 178.44 178.89 2xhb h ASP 565 N -0.05 0.68 0.09 1.25 3.32 -1.49 -2.16 116.42 118.06 2xhb h ASP 565 Ca -0.00 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 2xhb h ASP 565 Cb 0.04 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2xhb h ASP 565 CO 0.01 0.53 -0.04 0.22 -1.72 0.00 0.00 179.24 178.23 2xhb h TYR 566 N 0.79 -0.11 -0.46 4.55 3.20 -0.94 -3.00 116.97 121.01 2xhb h TYR 566 Ca 0.21 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.97 2xhb h TYR 566 Cb -0.03 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2xhb h TYR 566 CO 0.00 0.36 -0.13 0.97 -1.64 0.00 0.00 178.16 177.72 2xhb h ILE 567 N -0.64 1.27 0.00 1.81 6.09 -0.71 -2.22 117.51 123.11 2xhb h ILE 567 Ca -0.01 -1.26 -0.03 0.00 -1.37 0.00 0.00 64.86 62.19 2xhb h ILE 567 Cb 0.52 1.14 -0.00 0.00 0.47 0.00 0.00 36.82 38.94 2xhb h ILE 567 CO 0.02 0.43 -0.12 0.78 -3.07 0.00 0.00 178.15 176.19 2xhb h ASN 568 N 0.74 0.00 0.17 2.19 2.35 -1.52 0.29 115.58 119.79 2xhb h ASN 568 Ca 0.11 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.67 2xhb h ASN 568 Cb 0.69 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.05 2xhb h ASN 568 CO 0.05 0.12 -0.74 0.00 -1.65 0.00 0.00 177.43 175.21 2xhb h ALA 569 N 1.88 0.53 0.03 -0.83 0.00 -1.31 -3.34 119.26 116.21 2xhb h ALA 569 Ca -0.00 -0.61 -0.24 0.00 0.00 0.00 0.00 54.91 54.07 2xhb h ALA 569 Cb 0.54 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2xhb h ALA 569 CO 0.02 0.75 -1.16 -0.22 0.00 0.00 0.00 179.25 178.63 2xhb h LYS 570 N 0.33 0.06 -6.22 0.00 3.64 -0.74 -3.44 116.57 110.20 2xhb h LYS 570 Ca -0.04 -0.09 -0.58 0.00 -1.27 0.00 0.00 60.65 58.66 2xhb h LYS 570 Cb 1.33 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 33.10 2xhb h LYS 570 CO 0.13 0.97 0.70 -0.51 -2.27 0.00 0.00 179.45 178.48 2xhb s LEU 571 N -6.71 3.93 0.19 5.20 1.43 0.01 -4.98 118.68 117.75 2xhb s LEU 571 Ca -0.01 0.64 -0.31 0.00 -1.03 0.00 0.00 54.13 53.42 2xhb s LEU 571 Cb 0.09 -3.36 -0.16 0.00 0.03 0.00 0.00 46.19 42.79 2xhb s LEU 571 CO 0.83 -0.93 0.89 -2.65 0.23 0.00 0.00 176.35 174.73 2xhb n PRO 572 N 6.97 0.65 0.00 1.29 -0.02 -1.26 -4.35 135.00 138.27 2xhb n PRO 572 Ca 0.09 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2xhb n PRO 572 Cb 0.48 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 2xhb n PRO 572 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2xhb n GLY 573 N 1.77 3.20 0.79 -1.23 0.00 -1.26 -2.03 105.19 106.43 2xhb n GLY 573 Ca 0.15 0.27 0.06 0.00 0.00 0.00 0.00 46.02 46.51 2xhb n GLY 573 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2xhb n LEU 574 N 0.00 2.30 -4.62 0.99 4.32 -1.26 -4.82 117.00 113.90 2xhb n LEU 574 Ca 0.00 -1.15 -0.43 0.00 -0.02 0.00 0.00 56.01 54.41 2xhb n LEU 574 Cb 0.00 -0.30 -0.02 0.00 -1.62 0.00 0.00 43.42 41.48 2xhb n LEU 574 CO 0.00 0.54 1.37 -0.76 -1.22 0.00 0.00 177.39 177.32 2xhb s LEU 575 N -1.04 3.80 0.26 2.23 1.43 -0.86 -4.87 118.68 119.64 2xhb s LEU 575 Ca 0.28 1.48 0.06 0.00 -1.03 0.00 0.00 54.13 54.91 2xhb s LEU 575 Cb 0.15 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.78 2xhb s LEU 575 CO 0.18 -1.34 -0.06 -1.61 0.23 0.00 0.00 176.35 173.76 2xhb s GLU 576 N 4.83 1.49 0.04 1.70 2.02 -1.26 -4.74 118.70 122.79 2xhb s GLU 576 Ca 0.71 -1.75 0.01 0.00 0.02 0.00 0.00 54.97 53.97 2xhb s GLU 576 Cb -0.23 -1.05 -0.03 0.00 0.10 0.00 0.00 34.13 32.93 2xhb s GLU 576 CO 0.30 0.02 -0.05 -0.51 0.02 0.00 0.00 175.26 175.04 2xhb s LEU 577 N -3.40 2.32 0.10 1.80 1.43 -1.26 -3.94 118.68 115.72 2xhb s LEU 577 Ca 0.29 -0.66 0.09 0.00 -1.03 0.00 0.00 54.13 52.81 2xhb s LEU 577 Cb 0.04 -0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.20 2xhb s LEU 577 CO 0.11 -0.32 -0.22 -1.61 0.23 0.00 0.00 176.35 174.53 2xhb s GLU 578 N -2.18 1.23 -0.39 1.70 2.02 -1.18 -4.94 118.70 114.96 2xhb s GLU 578 Ca -0.07 -1.18 -0.18 0.00 0.02 0.00 0.00 54.97 53.57 2xhb s GLU 578 Cb -0.05 -1.53 0.01 0.00 0.10 0.00 0.00 34.13 32.65 2xhb s GLU 578 CO -0.02 0.36 0.49 -0.47 0.02 0.00 0.00 175.26 175.64 2xhb s TYR 579 N -1.09 3.16 -0.21 1.61 5.04 -1.26 -0.72 117.35 123.89 2xhb s TYR 579 Ca 0.08 -0.06 -0.17 0.00 -2.44 0.00 0.00 57.07 54.48 2xhb s TYR 579 Cb -0.10 -2.95 -0.19 0.00 0.35 0.00 0.00 41.96 39.07 2xhb s TYR 579 CO 0.04 -0.63 0.14 -1.91 -1.34 0.00 0.00 175.55 171.85 2xhb n GLU 580 N 5.74 0.61 -3.73 4.97 0.00 -0.43 -5.02 120.64 122.78 2xhb n GLU 580 Ca -0.06 0.46 -0.02 0.00 0.00 0.00 0.00 57.16 57.54 2xhb n GLU 580 Cb 0.48 -1.70 -0.01 0.00 0.00 0.00 0.00 31.44 30.22 2xhb n GLU 580 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2xhb s GLY 581 N -5.14 -0.26 0.03 8.31 0.00 -1.24 -5.01 107.32 104.01 2xhb s GLY 581 Ca -0.29 0.24 0.03 0.00 0.00 0.00 0.00 44.72 44.69 2xhb s GLY 581 CO 0.61 0.08 -0.02 -0.12 0.00 0.00 0.00 173.10 173.64 2xhb s PHE 582 N -3.07 2.98 -0.03 1.90 5.36 -1.26 -1.84 117.98 122.02 2xhb s PHE 582 Ca 0.13 0.00 0.01 0.00 -0.96 0.00 0.00 56.93 56.12 2xhb s PHE 582 Cb 0.00 -1.60 0.01 0.00 -0.34 0.00 0.00 43.02 41.09 2xhb s PHE 582 CO 0.01 0.44 -0.04 0.71 -1.46 0.00 0.00 175.22 174.88 2xhb s TYR 583 N -1.13 0.58 0.13 10.12 2.02 0.23 -4.67 117.35 124.62 2xhb s TYR 583 Ca 0.21 -0.12 -0.18 0.00 -0.37 0.00 0.00 57.07 56.60 2xhb s TYR 583 Cb -0.11 -0.50 -0.03 0.00 -0.40 0.00 0.00 41.96 40.92 2xhb s TYR 583 CO 0.12 -0.12 1.74 -0.22 -1.57 0.00 0.00 175.55 175.50 2xhb h LYS 584 N 6.81 0.43 -3.16 -0.62 3.64 0.03 0.16 116.57 123.86 2xhb h LYS 584 Ca -0.36 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.98 2xhb h LYS 584 Cb 1.16 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 2xhb h LYS 584 CO 0.48 0.36 0.16 -0.98 -2.27 0.00 0.00 179.45 177.21 2xhb s ARG 585 N -5.90 1.85 0.08 1.90 1.70 -1.12 -0.49 118.95 116.98 2xhb s ARG 585 Ca -0.13 -1.17 -0.26 0.00 -0.47 0.00 0.00 55.73 53.70 2xhb s ARG 585 Cb 0.09 0.58 0.09 0.00 -0.57 0.00 0.00 34.95 35.15 2xhb s ARG 585 CO 0.72 -0.84 1.14 0.20 -1.08 0.00 0.00 175.30 175.44 2xhb s GLY 586 N -2.98 -0.17 0.26 3.88 0.00 -0.82 -0.96 107.32 106.53 2xhb s GLY 586 Ca 0.15 0.15 0.01 0.00 0.00 0.00 0.00 44.72 45.03 2xhb s GLY 586 CO 0.09 1.74 0.11 -0.11 0.00 0.00 0.00 173.10 174.93 2xhb s PHE 587 N -2.48 1.47 -0.12 1.90 -0.12 -0.57 -0.61 117.98 117.46 2xhb s PHE 587 Ca 0.19 -1.26 -0.04 0.00 -0.05 0.00 0.00 56.93 55.77 2xhb s PHE 587 Cb 0.00 -0.82 0.06 0.00 -0.63 0.00 0.00 43.02 41.63 2xhb s PHE 587 CO 0.01 -0.43 0.19 -0.06 -0.05 0.00 0.00 175.22 174.87 2xhb s PHE 588 N -3.81 -0.23 -0.06 3.49 0.40 -1.26 -2.22 117.98 114.29 2xhb s PHE 588 Ca 0.38 0.58 -0.04 0.00 -0.60 0.00 0.00 56.93 57.25 2xhb s PHE 588 Cb 0.07 -0.25 -0.01 0.00 0.51 0.00 0.00 43.02 43.34 2xhb s PHE 588 CO 0.14 -0.35 -0.07 0.28 0.70 0.00 0.00 175.22 175.92 2xhb h VAL 589 N 6.34 0.00 -2.17 -0.44 2.07 -1.36 -3.45 116.25 117.25 2xhb h VAL 589 Ca -0.14 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 2xhb h VAL 589 Cb 1.12 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2xhb h VAL 589 CO 0.17 0.00 0.01 1.07 0.02 0.00 0.00 177.57 178.84 2xhb n THR 590 N -3.23 0.00 -1.61 2.57 5.66 -1.05 -4.74 114.28 111.87 2xhb n THR 590 Ca -0.03 -0.15 -0.55 0.00 -3.05 0.00 0.00 64.05 60.27 2xhb n THR 590 Cb 0.10 0.12 -0.07 0.00 -1.55 0.00 0.00 70.33 68.93 2xhb n THR 590 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2xhb n LYS 591 N -0.06 0.99 -1.94 1.09 4.81 -1.26 -1.15 118.16 120.64 2xhb n LYS 591 Ca -0.00 0.36 -0.17 0.00 -0.87 0.00 0.00 58.31 57.63 2xhb n LYS 591 Cb 0.07 -1.99 -0.04 0.00 0.02 0.00 0.00 35.03 33.08 2xhb n LYS 591 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2xhb n LYS 592 N 3.11 -1.65 -3.66 1.64 4.01 -1.26 -4.93 118.16 115.42 2xhb n LYS 592 Ca 0.21 0.91 -0.28 0.00 -0.51 0.00 0.00 58.31 58.64 2xhb n LYS 592 Cb 0.16 -5.38 -0.16 0.00 -0.51 0.00 0.00 35.03 29.14 2xhb n LYS 592 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2xhb s LYS 593 N -4.21 0.40 0.33 1.97 1.02 -0.30 -3.56 119.74 115.39 2xhb s LYS 593 Ca 0.00 -0.44 -0.18 0.00 0.02 0.00 0.00 55.97 55.37 2xhb s LYS 593 Cb 0.00 -1.82 0.04 0.00 -0.52 0.00 0.00 37.83 35.53 2xhb s LYS 593 CO 0.00 -0.78 0.77 1.52 -0.92 0.00 0.00 175.35 175.94 2xhb s TYR 594 N 1.95 -0.02 -0.10 3.18 -0.85 -0.98 -0.90 117.35 119.63 2xhb s TYR 594 Ca 0.03 -0.56 -0.12 0.00 -0.52 0.00 0.00 57.07 55.91 2xhb s TYR 594 Cb -0.17 0.78 0.03 0.00 0.38 0.00 0.00 41.96 42.99 2xhb s TYR 594 CO -0.17 -1.41 0.32 0.00 -1.52 0.00 0.00 175.55 172.77 2xhb s ALA 595 N -2.99 -0.79 0.09 9.51 0.00 -0.94 -1.57 121.76 125.07 2xhb s ALA 595 Ca 0.14 0.82 -0.06 0.00 0.00 0.00 0.00 51.96 52.85 2xhb s ALA 595 Cb -0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 2xhb s ALA 595 CO 0.09 -0.17 0.14 0.14 0.00 0.00 0.00 175.76 175.97 2xhb s VAL 596 N -0.06 0.15 -0.03 0.00 -7.23 -0.96 -1.52 120.40 110.75 2xhb s VAL 596 Ca -0.02 -1.41 -0.01 0.00 -1.81 0.00 0.00 61.98 58.73 2xhb s VAL 596 Cb -0.03 -1.51 0.03 0.00 0.56 0.00 0.00 36.38 35.43 2xhb s VAL 596 CO 0.01 -0.66 0.03 -0.51 -0.31 0.00 0.00 175.10 173.66 2xhb s ILE 597 N -3.90 0.01 0.93 -0.62 2.07 -0.13 0.05 121.20 119.59 2xhb s ILE 597 Ca 0.09 0.24 -0.13 0.00 -1.41 0.00 0.00 60.65 59.44 2xhb s ILE 597 Cb 0.06 -0.17 0.20 0.00 0.13 0.00 0.00 42.46 42.67 2xhb s ILE 597 CO -0.08 0.14 1.27 1.51 -1.91 0.00 0.00 174.94 175.87 2xhb s ASP 598 N 1.42 3.23 0.34 4.50 1.47 -1.15 0.68 116.67 127.16 2xhb s ASP 598 Ca -0.05 0.08 0.26 0.00 1.18 0.00 0.00 52.55 54.03 2xhb s ASP 598 Cb -0.13 -0.14 1.13 0.00 -0.34 0.00 0.00 42.92 43.44 2xhb s ASP 598 CO -0.03 -2.64 1.79 -0.33 0.68 0.00 0.00 175.17 174.64 2xhb h GLU 599 N -1.48 0.00 -0.51 2.11 5.08 -1.93 -1.28 114.58 116.58 2xhb h GLU 599 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2xhb h GLU 599 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2xhb h GLU 599 CO 0.36 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.76 2xhb n GLU 600 N -2.46 2.24 -3.75 2.33 -0.58 -1.26 -4.93 120.64 112.23 2xhb n GLU 600 Ca 0.01 -1.46 -0.26 0.00 -0.42 0.00 0.00 57.16 55.03 2xhb n GLU 600 Cb 0.23 -1.48 0.05 0.00 -0.57 0.00 0.00 31.44 29.66 2xhb n GLU 600 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2xhb n ASP 601 N 0.54 -4.95 -4.32 1.62 8.00 -0.48 -4.98 116.55 111.97 2xhb n ASP 601 Ca 0.13 -0.68 -0.39 0.00 0.71 0.00 0.00 54.79 54.56 2xhb n ASP 601 Cb 0.45 -4.42 -0.11 0.00 -0.02 0.00 0.00 41.12 37.02 2xhb n ASP 601 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2xhb s LYS 602 N -6.38 2.71 0.32 -1.24 3.01 -1.26 -4.90 119.74 112.00 2xhb s LYS 602 Ca 0.54 -1.18 -0.28 0.00 -1.01 0.00 0.00 55.97 54.04 2xhb s LYS 602 Cb -0.26 -3.64 -0.09 0.00 -1.01 0.00 0.00 37.83 32.83 2xhb s LYS 602 CO 0.78 -0.73 1.14 0.42 0.51 0.00 0.00 175.35 177.47 2xhb s ILE 603 N 1.48 3.32 -0.30 2.17 1.01 -1.26 -2.92 121.20 124.70 2xhb s ILE 603 Ca 0.01 1.26 -0.03 0.00 0.00 0.00 0.00 60.65 61.89 2xhb s ILE 603 Cb -0.20 -3.78 0.11 0.00 0.01 0.00 0.00 42.46 38.60 2xhb s ILE 603 CO 0.05 0.25 0.14 -0.89 0.00 0.00 0.00 174.94 174.49 2xhb s THR 604 N -1.25 -0.04 0.15 2.92 2.01 0.11 -4.98 115.64 114.57 2xhb s THR 604 Ca 0.48 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 2xhb s THR 604 Cb -0.32 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 2xhb s THR 604 CO 0.41 -0.77 0.38 0.42 -0.69 0.00 0.00 174.62 174.37 2xhb s THR 605 N 1.94 5.17 -0.06 -0.82 -4.23 -1.26 -2.26 115.64 114.12 2xhb s THR 605 Ca 0.10 -0.02 0.05 0.00 -1.18 0.00 0.00 61.69 60.64 2xhb s THR 605 Cb -0.17 -3.64 -0.00 0.00 1.34 0.00 0.00 72.50 70.02 2xhb s THR 605 CO -0.31 0.00 -0.20 -0.60 -0.54 0.00 0.00 174.62 172.97 2xhb s ARG 606 N -2.76 2.18 -1.86 3.99 6.06 -0.61 -4.46 118.95 121.49 2xhb s ARG 606 Ca 0.41 -0.73 0.00 0.00 -2.50 0.00 0.00 55.73 52.91 2xhb s ARG 606 Cb -0.12 -1.84 0.00 0.00 0.06 0.00 0.00 34.95 33.05 2xhb s ARG 606 CO 0.25 0.27 0.00 0.41 -2.50 0.00 0.00 175.30 173.74 2xhb n GLY 607 N 3.16 1.67 0.97 8.12 0.00 -1.23 -2.32 105.19 115.56 2xhb n GLY 607 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 2xhb n GLY 607 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2xhb n LEU 608 N -2.02 1.00 -4.62 0.99 4.77 -1.26 -4.84 117.00 111.01 2xhb n LEU 608 Ca -0.18 0.13 -0.39 0.00 -0.03 0.00 0.00 56.01 55.55 2xhb n LEU 608 Cb 0.64 -0.32 0.04 0.00 -2.33 0.00 0.00 43.42 41.45 2xhb n LEU 608 CO 0.27 -0.59 0.60 -0.62 -1.33 0.00 0.00 177.39 175.71 2xhb n GLU 609 N -3.49 1.16 -2.45 3.23 1.02 -1.26 -4.94 120.64 113.91 2xhb n GLU 609 Ca -0.01 0.43 -0.15 0.00 -0.02 0.00 0.00 57.16 57.41 2xhb n GLU 609 Cb 0.12 -2.16 0.03 0.00 -0.02 0.00 0.00 31.44 29.41 2xhb n GLU 609 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2xhb n ILE 610 N -1.19 1.88 -2.08 -3.67 -5.35 -1.26 -4.99 119.36 102.70 2xhb n ILE 610 Ca 0.11 -3.75 -0.42 0.00 -0.27 0.00 0.00 62.75 58.42 2xhb n ILE 610 Cb 0.44 -0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.23 2xhb n ILE 610 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 2xhb n VAL 611 N -0.55 3.71 -4.09 7.28 3.14 -1.26 -4.80 118.33 121.76 2xhb n VAL 611 Ca 0.26 -3.53 -0.12 0.00 -2.96 0.00 0.00 64.34 57.99 2xhb n VAL 611 Cb 0.84 -2.51 -0.11 0.00 -1.06 0.00 0.00 33.84 31.01 2xhb n VAL 611 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2xhb s ARG 612 N 3.16 0.62 0.46 1.45 0.52 -1.26 -5.03 118.95 118.87 2xhb s ARG 612 Ca 0.48 -0.97 0.25 0.00 -0.52 0.00 0.00 55.73 54.98 2xhb s ARG 612 Cb 0.10 -0.21 0.92 0.00 0.52 0.00 0.00 34.95 36.27 2xhb s ARG 612 CO -0.03 0.01 1.82 0.07 0.02 0.00 0.00 175.30 177.19 2xhb h ARG 613 N 3.92 0.00 0.00 3.54 0.11 -1.89 -2.70 114.38 117.36 2xhb h ARG 613 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 2xhb h ARG 613 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 2xhb h ARG 613 CO 0.50 0.17 0.00 -0.40 0.10 0.00 0.00 179.97 180.34 2xhb n ASP 614 N -3.29 0.00 -4.75 0.08 5.75 -1.15 -1.99 116.55 111.20 2xhb n ASP 614 Ca 0.01 -0.29 -0.34 0.00 -0.01 0.00 0.00 54.79 54.15 2xhb n ASP 614 Cb 0.43 -0.22 -0.08 0.00 -1.03 0.00 0.00 41.12 40.22 2xhb n ASP 614 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 2xhb s TRP 615 N -2.44 3.27 0.58 2.11 0.52 -1.02 -4.76 118.94 117.19 2xhb s TRP 615 Ca 0.30 0.24 -0.18 0.00 0.02 0.00 0.00 56.10 56.49 2xhb s TRP 615 Cb 0.19 -1.79 -0.04 0.00 -1.15 0.00 0.00 33.47 30.68 2xhb s TRP 615 CO 0.40 0.54 1.12 -1.54 0.02 0.00 0.00 176.95 177.50 2xhb s SER 616 N -1.23 5.53 0.31 2.95 1.04 -1.26 -4.81 113.70 116.23 2xhb s SER 616 Ca 0.17 2.12 0.01 0.00 0.48 0.00 0.00 55.95 58.74 2xhb s SER 616 Cb -0.12 -2.57 0.57 0.00 0.10 0.00 0.00 66.02 64.00 2xhb s SER 616 CO 0.07 -1.35 1.93 -0.08 0.98 0.00 0.00 173.24 174.79 2xhb h GLU 617 N 0.84 0.95 -0.80 4.02 4.81 -1.63 -2.02 114.58 120.75 2xhb h GLU 617 Ca -0.49 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.65 2xhb h GLU 617 Cb 1.26 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 2xhb h GLU 617 CO 0.56 0.63 0.36 0.97 -0.73 0.00 0.00 179.01 180.80 2xhb h ILE 618 N 0.98 1.25 -0.48 2.32 6.09 -1.52 0.60 117.51 126.75 2xhb h ILE 618 Ca 0.36 -0.75 -0.07 0.00 -1.37 0.00 0.00 64.86 63.03 2xhb h ILE 618 Cb 0.17 0.25 -0.02 0.00 0.47 0.00 0.00 36.82 37.69 2xhb h ILE 618 CO -0.13 0.31 0.02 0.00 -3.07 0.00 0.00 178.15 175.29 2xhb h ALA 619 N 1.24 0.65 -0.13 0.18 0.00 -1.69 -1.98 119.26 117.53 2xhb h ALA 619 Ca 0.27 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2xhb h ALA 619 Cb 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2xhb h ALA 619 CO -0.03 0.44 -0.02 0.87 0.00 0.00 0.00 179.25 180.51 2xhb h LYS 620 N 0.70 0.25 -0.57 0.00 1.57 -0.73 -2.53 116.57 115.27 2xhb h LYS 620 Ca 0.14 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2xhb h LYS 620 Cb 0.48 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 2xhb h LYS 620 CO 0.02 0.52 0.35 1.49 -0.57 0.00 0.00 179.45 181.27 2xhb h GLU 621 N -0.04 0.76 -0.31 3.15 4.81 0.15 -1.91 114.58 121.19 2xhb h GLU 621 Ca 0.04 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 2xhb h GLU 621 Cb 0.42 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2xhb h GLU 621 CO 0.01 0.53 -0.16 1.15 -0.73 0.00 0.00 179.01 179.81 2xhb h THR 622 N 0.77 1.29 0.03 0.32 2.02 -1.39 -1.73 112.91 114.23 2xhb h THR 622 Ca 0.20 -1.28 0.01 0.00 0.77 0.00 0.00 66.41 66.12 2xhb h THR 622 Cb -0.04 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2xhb h THR 622 CO -0.04 0.41 -0.08 -0.61 0.37 0.00 0.00 175.52 175.57 2xhb h GLN 623 N 0.41 -0.14 -0.98 6.66 4.15 -1.38 0.26 115.11 124.09 2xhb h GLN 623 Ca 0.07 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.58 2xhb h GLN 623 Cb 0.70 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.34 2xhb h GLN 623 CO 0.05 -0.09 0.62 0.00 -1.93 0.00 0.00 178.83 177.47 2xhb h ALA 624 N 0.81 1.40 -0.09 3.38 0.00 -1.30 0.20 119.26 123.66 2xhb h ALA 624 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2xhb h ALA 624 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2xhb h ALA 624 CO -0.06 0.32 -0.38 -0.09 0.00 0.00 0.00 179.25 179.04 2xhb h ARG 625 N 1.06 0.18 -0.07 0.00 2.43 -0.95 -1.53 114.38 115.51 2xhb h ARG 625 Ca 0.45 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.47 2xhb h ARG 625 Cb 0.31 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2xhb h ARG 625 CO -0.22 0.54 -0.24 0.28 -1.51 0.00 0.00 179.97 178.83 2xhb h VAL 626 N 0.16 1.43 -0.53 0.20 2.07 0.87 -2.47 116.25 117.98 2xhb h VAL 626 Ca 0.02 -1.64 0.03 0.00 0.82 0.00 0.00 66.70 65.93 2xhb h VAL 626 Cb 0.75 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 2xhb h VAL 626 CO 0.06 0.46 0.35 -0.07 0.02 0.00 0.00 177.57 178.39 2xhb h LEU 627 N -0.23 0.52 -0.18 2.57 3.38 -0.62 -1.83 115.31 118.92 2xhb h LEU 627 Ca -0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2xhb h LEU 627 Cb 0.88 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2xhb h LEU 627 CO 0.05 0.36 0.02 -0.08 0.09 0.00 0.00 178.44 178.88 2xhb h GLU 628 N 0.60 0.30 -0.48 1.13 4.81 -1.28 -0.51 114.58 119.16 2xhb h GLU 628 Ca 0.21 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2xhb h GLU 628 Cb 0.09 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2xhb h GLU 628 CO -0.05 0.48 0.22 0.00 -0.73 0.00 0.00 179.01 178.93 2xhb h ALA 629 N 0.80 0.62 0.26 2.92 0.00 -1.05 -1.98 119.26 120.83 2xhb h ALA 629 Ca 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2xhb h ALA 629 Cb 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2xhb h ALA 629 CO 0.01 0.19 -0.12 0.82 0.00 0.00 0.00 179.25 180.15 2xhb h ILE 630 N 0.63 0.74 0.00 0.00 2.04 -1.38 0.96 117.51 120.50 2xhb h ILE 630 Ca 0.16 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 2xhb h ILE 630 Cb 0.14 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2xhb h ILE 630 CO -0.02 0.15 -0.14 -0.07 0.00 0.00 0.00 178.15 178.07 2xhb h LEU 631 N -0.78 0.00 -0.17 1.44 3.38 -1.09 -2.32 115.31 115.77 2xhb h LEU 631 Ca -0.04 -0.51 -0.13 0.00 0.09 0.00 0.00 57.88 57.29 2xhb h LEU 631 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2xhb h LEU 631 CO 0.06 0.83 -0.41 0.11 0.09 0.00 0.00 178.44 179.13 2xhb h LYS 632 N -1.00 0.57 0.00 1.13 1.57 -1.52 -3.37 116.57 113.95 2xhb h LYS 632 Ca -0.03 -0.39 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 2xhb h LYS 632 Cb 0.61 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2xhb h LYS 632 CO -0.02 1.01 -2.00 0.72 -0.57 0.00 0.00 179.45 178.59 2xhb n HIS 633 N -4.27 0.00 -1.99 -1.35 8.25 -1.10 -5.02 115.22 109.75 2xhb n HIS 633 Ca -0.06 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.33 2xhb n HIS 633 Cb 0.54 -0.53 -0.01 0.00 1.12 0.00 0.00 29.99 31.11 2xhb n HIS 633 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xhb n GLY 634 N 1.38 0.21 3.02 -1.41 0.00 -0.32 -4.99 105.19 103.07 2xhb n GLY 634 Ca -0.07 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 2xhb n GLY 634 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2xhb s ASP 635 N -2.73 4.72 0.16 1.61 -1.08 0.18 -4.94 116.67 114.59 2xhb s ASP 635 Ca 0.00 -2.61 -0.09 0.00 -0.52 0.00 0.00 52.55 49.33 2xhb s ASP 635 Cb 0.00 -1.70 0.01 0.00 -1.46 0.00 0.00 42.92 39.78 2xhb s ASP 635 CO 0.00 -0.34 1.53 0.58 0.52 0.00 0.00 175.17 177.46 2xhb h VAL 636 N 5.90 1.27 -0.04 1.11 2.07 -1.89 -2.83 116.25 121.85 2xhb h VAL 636 Ca -0.06 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 2xhb h VAL 636 Cb 0.96 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 2xhb h VAL 636 CO 0.64 0.49 -0.11 -0.33 0.02 0.00 0.00 177.57 178.28 2xhb h GLU 637 N 0.80 0.05 -0.18 1.57 5.08 -1.96 -0.05 114.58 119.88 2xhb h GLU 637 Ca 0.09 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.25 2xhb h GLU 637 Cb 0.87 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2xhb h GLU 637 CO 0.08 0.17 -0.65 1.49 -1.00 0.00 0.00 179.01 179.10 2xhb h GLU 638 N 0.05 0.67 -0.57 2.33 4.57 -1.93 -1.48 114.58 118.22 2xhb h GLU 638 Ca 0.01 -0.48 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 2xhb h GLU 638 Cb 0.24 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 2xhb h GLU 638 CO 0.02 1.10 0.31 0.00 -1.18 0.00 0.00 179.01 179.26 2xhb h ALA 639 N 0.78 0.73 -0.70 2.92 0.00 -1.03 0.16 119.26 122.12 2xhb h ALA 639 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2xhb h ALA 639 Cb 1.24 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2xhb h ALA 639 CO 0.13 0.25 0.39 0.28 0.00 0.00 0.00 179.25 180.30 2xhb h VAL 640 N 0.77 1.21 -0.43 0.00 2.07 -1.02 -2.72 116.25 116.12 2xhb h VAL 640 Ca 0.20 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 2xhb h VAL 640 Cb 0.04 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2xhb h VAL 640 CO -0.03 0.23 0.24 -0.09 0.02 0.00 0.00 177.57 177.94 2xhb h ARG 641 N 0.96 0.59 -0.70 1.57 2.43 -0.88 -1.94 114.38 116.40 2xhb h ARG 641 Ca 0.25 -0.07 0.14 0.00 -0.81 0.00 0.00 59.98 59.49 2xhb h ARG 641 Cb 0.02 -0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 29.36 2xhb h ARG 641 CO -0.04 0.47 0.22 0.82 -1.51 0.00 0.00 179.97 179.93 2xhb h ILE 642 N 0.56 0.63 -0.19 1.20 2.04 -0.76 -1.30 117.51 119.69 2xhb h ILE 642 Ca 0.15 -0.12 -0.16 0.00 1.00 0.00 0.00 64.86 65.73 2xhb h ILE 642 Cb 0.04 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 2xhb h ILE 642 CO -0.03 0.06 -0.55 0.58 0.00 0.00 0.00 178.15 178.22 2xhb h VAL 643 N 0.36 1.32 0.19 1.67 2.07 -1.27 -2.31 116.25 118.27 2xhb h VAL 643 Ca 0.38 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 2xhb h VAL 643 Cb 0.59 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2xhb h VAL 643 CO -0.42 0.56 -0.09 0.11 0.02 0.00 0.00 177.57 177.75 2xhb h LYS 644 N 0.45 -0.24 -0.60 1.57 1.57 -0.59 -1.46 116.57 117.26 2xhb h LYS 644 Ca 0.01 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2xhb h LYS 644 Cb 1.10 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 2xhb h LYS 644 CO 0.10 -0.13 0.39 0.93 -0.57 0.00 0.00 179.45 180.17 2xhb h GLU 645 N -0.29 0.76 -0.50 3.15 5.08 -1.28 -0.94 114.58 120.57 2xhb h GLU 645 Ca -0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2xhb h GLU 645 Cb 0.22 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2xhb h GLU 645 CO 0.04 0.51 0.32 0.28 -1.00 0.00 0.00 179.01 179.15 2xhb h VAL 646 N 0.79 1.14 -0.32 3.13 2.07 -1.25 0.33 116.25 122.13 2xhb h VAL 646 Ca 0.23 -0.30 -0.13 0.00 0.82 0.00 0.00 66.70 67.32 2xhb h VAL 646 Cb -0.06 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2xhb h VAL 646 CO -0.06 0.14 -0.34 0.71 0.02 0.00 0.00 177.57 178.04 2xhb h THR 647 N 0.67 1.28 -0.33 2.57 1.35 -1.08 -0.12 112.91 117.26 2xhb h THR 647 Ca 0.18 -1.49 -0.00 0.00 -0.55 0.00 0.00 66.41 64.55 2xhb h THR 647 Cb -0.04 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 67.76 2xhb h THR 647 CO -0.04 0.49 0.20 -0.08 -0.25 0.00 0.00 175.52 175.84 2xhb h GLU 648 N 0.60 0.44 -0.61 4.72 4.81 -0.82 -2.90 114.58 120.82 2xhb h GLU 648 Ca 0.06 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 2xhb h GLU 648 Cb 0.87 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 2xhb h GLU 648 CO 0.08 0.32 0.11 0.87 -0.73 0.00 0.00 179.01 179.65 2xhb h LYS 649 N 0.43 0.99 -0.73 1.92 6.56 -0.02 -2.37 116.57 123.34 2xhb h LYS 649 Ca 0.12 -0.24 0.02 0.00 -1.06 0.00 0.00 60.65 59.48 2xhb h LYS 649 Cb -0.01 -0.13 -0.04 0.00 -0.57 0.00 0.00 32.23 31.48 2xhb h LYS 649 CO -0.02 0.91 0.48 -0.07 -2.06 0.00 0.00 179.45 178.68 2xhb h LEU 650 N 0.93 0.81 -0.48 2.94 3.38 -0.99 -2.22 115.31 119.69 2xhb h LEU 650 Ca 0.19 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2xhb h LEU 650 Cb 0.39 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2xhb h LEU 650 CO 0.01 0.58 -0.20 0.77 0.09 0.00 0.00 178.44 179.69 2xhb h SER 651 N 0.96 0.00 -0.24 -0.43 4.64 -1.30 -2.90 113.55 114.27 2xhb h SER 651 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2xhb h SER 651 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2xhb h SER 651 CO -0.08 0.20 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 2xhb n LYS 652 N -3.21 1.87 -3.52 4.77 5.02 -0.91 -4.95 118.16 117.24 2xhb n LYS 652 Ca 0.02 -1.33 -0.20 0.00 -2.02 0.00 0.00 58.31 54.79 2xhb n LYS 652 Cb 0.53 -1.39 0.08 0.00 -0.02 0.00 0.00 35.03 34.23 2xhb n LYS 652 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2xhb n TYR 653 N 0.55 -2.35 0.03 2.13 4.02 -1.03 -4.92 117.16 115.59 2xhb n TYR 653 Ca 0.16 0.95 0.06 0.00 -0.01 0.00 0.00 57.90 59.06 2xhb n TYR 653 Cb 0.37 -4.97 -0.10 0.00 -0.02 0.00 0.00 39.34 34.62 2xhb n TYR 653 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2xhb n GLU 654 N -4.40 0.55 -2.47 -0.72 1.02 -0.87 -4.97 120.64 108.79 2xhb n GLU 654 Ca -0.20 -0.11 -0.42 0.00 -0.02 0.00 0.00 57.16 56.41 2xhb n GLU 654 Cb 0.64 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 30.74 2xhb n GLU 654 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2xhb s VAL 655 N -2.84 4.21 0.26 2.62 1.01 -1.25 -4.99 120.40 119.42 2xhb s VAL 655 Ca -0.04 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 2xhb s VAL 655 Cb 0.08 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 2xhb s VAL 655 CO 0.53 0.10 1.41 -2.84 0.00 0.00 0.00 175.10 174.30 2xhb s PRO 656 N 1.29 4.28 0.64 2.72 0.02 -1.26 -4.88 135.00 137.81 2xhb s PRO 656 Ca 0.57 2.28 0.33 0.00 0.02 0.00 0.00 61.00 64.20 2xhb s PRO 656 Cb -0.27 -3.10 1.79 0.00 0.02 0.00 0.00 34.50 32.93 2xhb s PRO 656 CO 0.28 -0.38 2.05 -1.35 -0.33 0.00 0.00 177.00 177.27 2xhb h PRO 657 N 4.72 0.00 -0.40 5.54 0.11 -1.99 -0.71 132.00 139.27 2xhb h PRO 657 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 2xhb h PRO 657 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2xhb h PRO 657 CO 0.75 0.00 0.27 0.93 -0.21 0.00 0.00 178.00 179.74 2xhb h GLU 658 N 0.00 0.50 -0.00 1.05 3.07 -2.00 -1.88 114.58 115.31 2xhb h GLU 658 Ca 0.04 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2xhb h GLU 658 Cb 0.55 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 2xhb h GLU 658 CO -0.00 0.33 -0.02 1.63 -1.40 0.00 0.00 179.01 179.55 2xhb n LYS 659 N -4.48 0.77 0.00 2.33 5.02 -0.27 -3.67 118.16 117.86 2xhb n LYS 659 Ca 0.03 -0.07 0.08 0.00 -2.02 0.00 0.00 58.31 56.33 2xhb n LYS 659 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 2xhb n LYS 659 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2xhb n LEU 660 N -1.05 1.67 -4.74 -0.35 4.77 -0.71 -1.19 117.00 115.39 2xhb n LEU 660 Ca 0.19 -0.78 -0.41 0.00 -0.03 0.00 0.00 56.01 54.98 2xhb n LEU 660 Cb 0.19 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 2xhb n LEU 660 CO 0.21 0.32 0.81 -0.69 -1.33 0.00 0.00 177.39 176.70 2xhb s VAL 661 N -1.83 3.69 -0.22 4.08 1.01 -1.22 -4.76 120.40 121.15 2xhb s VAL 661 Ca 0.14 1.53 -0.06 0.00 0.00 0.00 0.00 61.98 63.59 2xhb s VAL 661 Cb 0.13 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 2xhb s VAL 661 CO 0.38 0.29 0.02 -0.63 0.00 0.00 0.00 175.10 175.16 2xhb s ILE 662 N -0.51 3.97 -0.17 2.22 1.01 -0.11 -4.41 121.20 123.20 2xhb s ILE 662 Ca 0.48 -0.30 -0.13 0.00 0.00 0.00 0.00 60.65 60.71 2xhb s ILE 662 Cb -0.31 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 2xhb s ILE 662 CO 0.37 0.40 0.25 -0.31 0.00 0.00 0.00 174.94 175.65 2xhb s TYR 663 N 1.29 3.45 -0.13 3.97 2.02 -0.84 -1.73 117.35 125.38 2xhb s TYR 663 Ca 0.04 0.53 -0.10 0.00 -0.37 0.00 0.00 57.07 57.17 2xhb s TYR 663 Cb -0.15 -2.28 0.04 0.00 -0.40 0.00 0.00 41.96 39.17 2xhb s TYR 663 CO 0.01 0.27 0.33 -2.00 -1.57 0.00 0.00 175.55 172.59 2xhb s GLU 664 N 0.39 0.36 -0.06 -0.62 2.12 -0.61 -2.93 118.70 117.36 2xhb s GLU 664 Ca 0.14 0.54 -0.13 0.00 0.36 0.00 0.00 54.97 55.87 2xhb s GLU 664 Cb -0.12 0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.31 2xhb s GLU 664 CO 0.02 -0.09 0.35 -1.14 -0.54 0.00 0.00 175.26 173.86 2xhb s GLN 665 N 0.60 3.92 0.05 4.30 0.74 -1.26 -0.90 119.66 127.11 2xhb s GLN 665 Ca -0.03 0.27 -0.19 0.00 0.05 0.00 0.00 55.36 55.45 2xhb s GLN 665 Cb -0.05 -3.27 -0.06 0.00 1.10 0.00 0.00 33.01 30.73 2xhb s GLN 665 CO -0.04 0.59 0.56 0.96 -0.55 0.00 0.00 175.29 176.82 2xhb s ILE 666 N -0.68 4.79 -0.65 -2.34 -5.25 -0.81 -4.98 121.20 111.28 2xhb s ILE 666 Ca 0.21 1.19 0.06 0.00 -0.99 0.00 0.00 60.65 61.12 2xhb s ILE 666 Cb -0.15 -3.89 0.03 0.00 2.95 0.00 0.00 42.46 41.40 2xhb s ILE 666 CO 0.10 0.53 0.61 0.35 -1.79 0.00 0.00 174.94 174.74 2xhb n THR 667 N 1.94 0.00 -3.87 8.37 -2.24 -1.26 -1.30 114.28 115.92 2xhb n THR 667 Ca -0.10 -0.48 -0.05 0.00 -2.27 0.00 0.00 64.05 61.15 2xhb n THR 667 Cb 0.51 1.10 0.02 0.00 -2.10 0.00 0.00 70.33 69.86 2xhb n THR 667 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xhb s ARG 668 N -0.64 1.58 0.25 -0.78 1.04 -1.26 -4.79 118.95 114.36 2xhb s ARG 668 Ca 0.06 -1.02 -0.30 0.00 -1.04 0.00 0.00 55.73 53.42 2xhb s ARG 668 Cb 0.05 0.44 -0.14 0.00 -2.04 0.00 0.00 34.95 33.26 2xhb s ARG 668 CO 0.09 -0.74 1.19 -3.47 -0.04 0.00 0.00 175.30 172.33 2xhb n ASP 669 N -1.32 1.86 0.10 -2.89 2.03 -1.26 -4.61 116.55 110.47 2xhb n ASP 669 Ca -0.04 1.16 0.11 0.00 0.52 0.00 0.00 54.79 56.54 2xhb n ASP 669 Cb 0.59 -1.33 0.59 0.00 -0.72 0.00 0.00 41.12 40.26 2xhb n ASP 669 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2xhb h LEU 670 N 3.00 0.14 -2.15 -2.67 3.38 -1.99 -0.86 115.31 114.16 2xhb h LEU 670 Ca -0.43 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2xhb h LEU 670 Cb 1.32 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 2xhb h LEU 670 CO 0.67 0.09 -0.07 0.11 0.09 0.00 0.00 178.44 179.33 2xhb h LYS 671 N 0.16 0.00 -0.02 1.13 1.79 -2.02 -3.02 116.57 114.59 2xhb h LYS 671 Ca 0.13 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.47 2xhb h LYS 671 Cb 0.31 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 2xhb h LYS 671 CO -0.02 0.07 -0.60 -0.44 -1.08 0.00 0.00 179.45 177.38 2xhb h ASP 672 N 0.00 0.09 -2.32 0.86 3.32 -1.50 -3.45 116.42 113.41 2xhb h ASP 672 Ca -0.00 -0.05 -0.54 0.00 0.02 0.00 0.00 57.03 56.46 2xhb h ASP 672 Cb 0.19 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 39.74 2xhb h ASP 672 CO 0.01 0.67 1.21 -1.22 -1.72 0.00 0.00 179.24 178.18 2xhb n TYR 673 N -3.85 2.50 0.40 4.55 4.02 -1.14 -4.87 117.16 118.78 2xhb n TYR 673 Ca -0.02 -0.31 0.12 0.00 -0.01 0.00 0.00 57.90 57.69 2xhb n TYR 673 Cb 0.60 -2.78 0.19 0.00 -0.02 0.00 0.00 39.34 37.34 2xhb n TYR 673 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 2xhb h LYS 674 N 10.22 0.00 -3.12 -0.72 6.56 -1.92 -3.46 116.57 124.13 2xhb h LYS 674 Ca -0.49 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 58.92 2xhb h LYS 674 Cb 1.24 0.00 -0.27 0.00 -0.57 0.00 0.00 32.23 32.63 2xhb h LYS 674 CO 0.94 0.00 -0.46 0.00 -2.06 0.00 0.00 179.45 177.87 2xhb s ALA 675 N -3.20 -0.56 -0.41 3.86 0.00 -1.26 -5.14 121.76 115.04 2xhb s ALA 675 Ca 0.06 0.79 -0.13 0.00 0.00 0.00 0.00 51.96 52.68 2xhb s ALA 675 Cb 0.10 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.79 2xhb s ALA 675 CO 0.69 -0.14 0.29 0.99 0.00 0.00 0.00 175.76 177.58 2xhb s THR 676 N 0.58 4.91 0.69 0.00 2.01 -1.26 -5.04 115.64 117.52 2xhb s THR 676 Ca -0.04 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 2xhb s THR 676 Cb -0.05 -3.81 0.07 0.00 0.01 0.00 0.00 72.50 68.72 2xhb s THR 676 CO -0.03 -0.37 0.97 -0.83 -0.69 0.00 0.00 174.62 173.67 2xhb s GLY 677 N 1.90 1.74 0.19 4.40 0.00 -1.26 -4.86 107.32 109.43 2xhb s GLY 677 Ca 0.04 -1.17 -0.17 0.00 0.00 0.00 0.00 44.72 43.42 2xhb s GLY 677 CO 0.07 -0.75 1.62 -2.55 0.00 0.00 0.00 173.10 171.50 2xhb h PRO 678 N -0.49 -0.07 0.00 2.90 0.11 -1.93 -0.84 132.00 131.68 2xhb h PRO 678 Ca -0.43 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 2xhb h PRO 678 Cb 1.30 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 2xhb h PRO 678 CO 0.54 -0.05 -0.14 1.12 -0.21 0.00 0.00 178.00 179.25 2xhb h HIS 679 N -0.07 0.00 0.00 0.65 2.07 -1.95 0.17 115.15 116.02 2xhb h HIS 679 Ca 0.25 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.62 2xhb h HIS 679 Cb 0.46 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.41 2xhb h HIS 679 CO -0.50 0.14 -0.82 0.28 -3.07 0.00 0.00 177.93 173.97 2xhb h VAL 680 N 0.00 1.05 -0.14 6.12 2.07 -1.64 -2.44 116.25 121.27 2xhb h VAL 680 Ca -0.00 -2.55 -0.22 0.00 0.82 0.00 0.00 66.70 64.76 2xhb h VAL 680 Cb 0.43 2.49 0.01 0.00 -1.52 0.00 0.00 31.29 32.70 2xhb h VAL 680 CO 0.02 0.60 -0.76 0.00 0.02 0.00 0.00 177.57 177.45 2xhb h ALA 681 N 1.33 0.28 -0.70 1.67 0.00 0.16 -2.05 119.26 119.95 2xhb h ALA 681 Ca -0.04 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.21 2xhb h ALA 681 Cb 1.55 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 2xhb h ALA 681 CO 0.08 0.64 0.18 0.28 0.00 0.00 0.00 179.25 180.44 2xhb h VAL 682 N 0.48 1.26 -0.25 0.00 2.07 -1.08 -2.93 116.25 115.80 2xhb h VAL 682 Ca -0.06 -0.94 -0.16 0.00 0.82 0.00 0.00 66.70 66.37 2xhb h VAL 682 Cb 1.39 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2xhb h VAL 682 CO 0.16 0.36 -0.48 0.00 0.02 0.00 0.00 177.57 177.63 2xhb h ALA 683 N 1.15 0.40 -0.22 1.67 0.00 -1.46 -2.86 119.26 117.92 2xhb h ALA 683 Ca 0.22 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2xhb h ALA 683 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2xhb h ALA 683 CO -0.00 0.56 -0.00 0.87 0.00 0.00 0.00 179.25 180.67 2xhb h LYS 684 N 0.51 0.33 -0.18 0.00 1.57 -1.36 -0.16 116.57 117.28 2xhb h LYS 684 Ca 0.01 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 2xhb h LYS 684 Cb 1.08 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2xhb h LYS 684 CO 0.11 0.36 -0.56 0.00 -0.57 0.00 0.00 179.45 178.79 2xhb h ARG 685 N 0.32 0.55 -0.61 3.15 3.08 -1.49 -1.34 114.38 118.05 2xhb h ARG 685 Ca 0.07 -0.35 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 2xhb h ARG 685 Cb 0.23 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2xhb h ARG 685 CO 0.01 0.96 0.18 -0.07 -1.07 0.00 0.00 179.97 179.98 2xhb h LEU 686 N 0.42 0.89 -0.98 3.04 3.38 -1.15 -3.03 115.31 117.88 2xhb h LEU 686 Ca 0.01 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 2xhb h LEU 686 Cb 1.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2xhb h LEU 686 CO 0.11 0.87 -0.35 0.00 0.09 0.00 0.00 178.44 179.15 2xhb h ALA 687 N 1.06 1.14 0.00 1.53 0.00 -0.91 -1.55 119.26 120.52 2xhb h ALA 687 Ca 0.19 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2xhb h ALA 687 Cb 0.30 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2xhb h ALA 687 CO -0.00 0.56 -0.07 0.00 0.00 0.00 0.00 179.25 179.73 2xhb h ALA 688 N 1.38 1.22 -0.58 0.00 0.00 -1.16 -2.05 119.26 118.06 2xhb h ALA 688 Ca 0.03 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2xhb h ALA 688 Cb 0.74 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2xhb h ALA 688 CO 0.06 0.09 0.09 0.54 0.00 0.00 0.00 179.25 180.03 2xhb n ARG 689 N -3.49 4.16 0.00 0.00 1.74 -0.82 -4.95 116.66 113.30 2xhb n ARG 689 Ca -0.02 -3.10 0.00 0.00 -0.77 0.00 0.00 57.85 53.96 2xhb n ARG 689 Cb 0.20 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 2xhb n ARG 689 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xhb n GLY 690 N 0.15 2.93 3.77 -0.13 0.00 -0.77 -5.00 105.19 106.13 2xhb n GLY 690 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 2xhb n GLY 690 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xhb s ILE 691 N -2.67 2.86 -0.12 -0.61 1.01 -0.65 -4.89 121.20 116.14 2xhb s ILE 691 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 60.65 61.20 2xhb s ILE 691 Cb 0.00 -3.54 -0.08 0.00 0.01 0.00 0.00 42.46 38.85 2xhb s ILE 691 CO 0.00 0.20 2.09 1.17 0.00 0.00 0.00 174.94 178.39 2xhb n LYS 692 N 1.03 2.26 -3.80 2.79 4.81 -1.26 -4.12 118.16 119.86 2xhb n LYS 692 Ca 0.00 0.74 -0.30 0.00 -0.87 0.00 0.00 58.31 57.89 2xhb n LYS 692 Cb 0.42 -3.01 -0.15 0.00 0.02 0.00 0.00 35.03 32.31 2xhb n LYS 692 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2xhb s ILE 693 N 6.25 1.23 0.31 3.15 -1.09 -1.26 -5.01 121.20 124.79 2xhb s ILE 693 Ca 0.96 -1.70 0.08 0.00 -2.23 0.00 0.00 60.65 57.76 2xhb s ILE 693 Cb -0.46 -1.92 -0.04 0.00 -1.58 0.00 0.00 42.46 38.46 2xhb s ILE 693 CO 0.41 -0.68 0.17 -0.13 -1.23 0.00 0.00 174.94 173.48 2xhb s ARG 694 N 1.36 2.54 0.26 2.79 1.81 -1.26 -4.89 118.95 121.55 2xhb s ARG 694 Ca 0.11 -1.38 -0.31 0.00 -1.72 0.00 0.00 55.73 52.42 2xhb s ARG 694 Cb -0.18 -2.31 -0.12 0.00 -0.45 0.00 0.00 34.95 31.89 2xhb s ARG 694 CO -0.19 0.19 1.64 -2.30 -0.68 0.00 0.00 175.30 173.95 2xhb n PRO 695 N -1.17 2.70 0.00 3.54 -0.02 -1.26 -1.64 135.00 137.14 2xhb n PRO 695 Ca -0.04 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2xhb n PRO 695 Cb 0.60 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 2xhb n PRO 695 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2xhb n GLY 696 N 2.81 2.48 3.77 -1.23 0.00 -0.42 -4.98 105.19 107.62 2xhb n GLY 696 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 2xhb n GLY 696 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xhb s THR 697 N -2.60 2.78 -0.26 2.61 2.01 -0.65 -4.84 115.64 114.69 2xhb s THR 697 Ca 0.00 0.67 -0.01 0.00 0.31 0.00 0.00 61.69 62.67 2xhb s THR 697 Cb 0.00 -3.38 0.04 0.00 0.01 0.00 0.00 72.50 69.16 2xhb s THR 697 CO 0.00 0.08 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.25 2xhb s VAL 698 N -1.32 2.70 -0.21 3.82 1.01 -1.26 -1.92 120.40 123.21 2xhb s VAL 698 Ca 0.58 -1.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.07 2xhb s VAL 698 Cb -0.35 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 2xhb s VAL 698 CO 0.45 0.10 0.83 -0.63 0.00 0.00 0.00 175.10 175.85 2xhb s ILE 699 N 1.26 4.85 -0.48 2.22 -1.09 -0.08 -4.89 121.20 123.00 2xhb s ILE 699 Ca -0.03 1.60 -0.06 0.00 -2.23 0.00 0.00 60.65 59.92 2xhb s ILE 699 Cb -0.18 -4.12 0.13 0.00 -1.58 0.00 0.00 42.46 36.70 2xhb s ILE 699 CO -0.04 -0.03 0.32 -0.94 -1.23 0.00 0.00 174.94 173.02 2xhb s SER 700 N 1.26 5.53 0.27 3.58 1.04 -1.26 -1.57 113.70 122.55 2xhb s SER 700 Ca 0.36 -2.10 0.10 0.00 0.48 0.00 0.00 55.95 54.79 2xhb s SER 700 Cb -0.16 -1.94 -0.04 0.00 0.10 0.00 0.00 66.02 63.98 2xhb s SER 700 CO 0.09 -0.60 -0.05 -0.72 0.98 0.00 0.00 173.24 172.95 2xhb s TYR 701 N 1.07 2.60 0.09 5.02 -0.85 -0.70 -0.94 117.35 123.62 2xhb s TYR 701 Ca 0.08 -0.25 0.06 0.00 -0.52 0.00 0.00 57.07 56.44 2xhb s TYR 701 Cb -0.24 -1.16 -0.03 0.00 0.38 0.00 0.00 41.96 40.91 2xhb s TYR 701 CO -0.03 0.64 -0.16 -1.50 -1.52 0.00 0.00 175.55 172.98 2xhb s ILE 702 N -2.37 1.31 -0.37 -3.49 2.07 -0.20 -0.93 121.20 117.21 2xhb s ILE 702 Ca 0.31 -1.44 -0.12 0.00 -1.41 0.00 0.00 60.65 58.00 2xhb s ILE 702 Cb -0.06 -1.27 0.02 0.00 0.13 0.00 0.00 42.46 41.28 2xhb s ILE 702 CO 0.19 -0.21 0.22 -0.69 -1.91 0.00 0.00 174.94 172.53 2xhb s VAL 703 N -1.39 4.73 0.66 4.00 1.01 -1.26 -1.63 120.40 126.52 2xhb s VAL 703 Ca 0.02 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 2xhb s VAL 703 Cb -0.09 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2xhb s VAL 703 CO 0.03 -0.19 1.05 -0.76 0.00 0.00 0.00 175.10 175.22 2xhb s LEU 704 N 1.59 3.19 0.79 3.92 1.43 -1.08 0.59 118.68 129.10 2xhb s LEU 704 Ca 0.03 1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 54.57 2xhb s LEU 704 Cb -0.19 -4.49 0.07 0.00 0.03 0.00 0.00 46.19 41.61 2xhb s LEU 704 CO 0.07 -1.23 1.15 -1.59 0.23 0.00 0.00 176.35 174.99 2xhb s LYS 705 N -5.03 2.15 0.00 1.70 -2.85 -0.39 -4.23 119.74 111.08 2xhb s LYS 705 Ca 0.57 0.24 0.00 0.00 -1.00 0.00 0.00 55.97 55.78 2xhb s LYS 705 Cb -0.13 -1.96 0.00 0.00 -2.06 0.00 0.00 37.83 33.68 2xhb s LYS 705 CO 0.54 -1.49 0.00 0.41 0.10 0.00 0.00 175.35 174.90 2xhb n GLY 706 N -3.10 0.31 3.96 0.59 0.00 -1.26 -4.95 105.19 100.74 2xhb n GLY 706 Ca 0.08 -2.26 -0.24 0.00 0.00 0.00 0.00 46.02 43.60 2xhb n GLY 706 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2xhb s SER 707 N -4.00 4.87 0.00 1.61 1.04 -1.26 -5.03 113.70 110.93 2xhb s SER 707 Ca 0.00 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.54 2xhb s SER 707 Cb 0.00 -0.80 0.00 0.00 0.10 0.00 0.00 66.02 65.32 2xhb s SER 707 CO 0.00 -1.49 0.00 0.61 0.98 0.00 0.00 173.24 173.34 2xhb n GLY 708 N -2.69 2.25 3.76 7.32 0.00 -1.26 -4.73 105.19 109.83 2xhb n GLY 708 Ca 0.09 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 2xhb n GLY 708 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2xhb s ARG 709 N -2.72 2.94 0.27 1.61 0.52 -1.26 -4.82 118.95 115.49 2xhb s ARG 709 Ca 0.00 1.73 -0.03 0.00 -0.52 0.00 0.00 55.73 56.92 2xhb s ARG 709 Cb 0.00 -1.94 0.58 0.00 0.52 0.00 0.00 34.95 34.11 2xhb s ARG 709 CO 0.00 -1.21 1.62 0.82 0.02 0.00 0.00 175.30 176.55 2xhb h ILE 710 N 0.73 0.26 -0.94 1.52 2.04 -1.98 0.39 117.51 119.52 2xhb h ILE 710 Ca -0.50 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 65.42 2xhb h ILE 710 Cb 1.29 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 2xhb h ILE 710 CO 0.55 0.02 0.60 1.23 0.00 0.00 0.00 178.15 180.55 2xhb h GLY 711 N 0.11 1.41 2.00 5.37 0.00 -1.91 0.55 103.07 110.60 2xhb h GLY 711 Ca 0.49 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 2xhb h GLY 711 CO -0.72 0.23 -0.38 -0.55 0.00 0.00 0.00 176.54 175.12 2xhb h ASP 712 N 0.97 0.00 0.56 0.19 3.45 -0.59 -3.14 116.42 117.86 2xhb h ASP 712 Ca 0.43 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.89 2xhb h ASP 712 Cb 0.37 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 2xhb h ASP 712 CO -0.19 0.38 -1.19 0.54 -1.57 0.00 0.00 179.24 177.21 2xhb n ARG 713 N -4.03 0.47 -2.54 3.56 1.74 -0.71 -4.94 116.66 110.21 2xhb n ARG 713 Ca -0.02 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.66 2xhb n ARG 713 Cb 0.42 -1.67 -0.04 0.00 -1.02 0.00 0.00 32.46 30.16 2xhb n ARG 713 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2xhb s ALA 714 N -3.32 3.35 0.25 7.54 0.00 0.10 -2.65 121.76 127.04 2xhb s ALA 714 Ca 0.00 0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.82 2xhb s ALA 714 Cb 0.13 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 2xhb s ALA 714 CO 0.81 -0.18 -0.12 0.96 0.00 0.00 0.00 175.76 177.23 2xhb s ILE 715 N -0.19 1.82 0.44 0.00 -4.36 -0.65 -4.87 121.20 113.39 2xhb s ILE 715 Ca 0.49 -2.21 -0.23 0.00 -0.26 0.00 0.00 60.65 58.44 2xhb s ILE 715 Cb -0.29 -2.26 -0.08 0.00 1.25 0.00 0.00 42.46 41.09 2xhb s ILE 715 CO 0.34 -0.44 1.15 -2.84 0.24 0.00 0.00 174.94 173.39 2xhb s PRO 716 N -3.66 3.86 0.50 0.37 0.02 -1.26 -1.03 135.00 133.80 2xhb s PRO 716 Ca 0.27 1.76 0.29 0.00 0.02 0.00 0.00 61.00 63.33 2xhb s PRO 716 Cb 0.01 -2.47 1.20 0.00 0.02 0.00 0.00 34.50 33.25 2xhb s PRO 716 CO 0.10 -0.46 1.93 0.35 -0.33 0.00 0.00 177.00 178.59 2xhb h PHE 717 N 2.21 0.00 -0.51 6.54 3.57 -1.36 -1.99 116.94 125.41 2xhb h PHE 717 Ca -0.49 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 60.93 2xhb h PHE 717 Cb 1.24 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 2xhb h PHE 717 CO 0.54 0.12 0.01 -0.44 -2.23 0.00 0.00 178.31 176.31 2xhb h ASP 718 N 0.00 0.81 -0.12 0.41 5.19 -1.92 -2.65 116.42 118.15 2xhb h ASP 718 Ca -0.00 -0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 2xhb h ASP 718 Cb 0.59 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.88 2xhb h ASP 718 CO 0.02 0.87 0.00 -0.62 -3.12 0.00 0.00 179.24 176.39 2xhb n GLU 719 N -4.21 1.46 -2.93 3.56 1.02 -0.77 -4.92 120.64 113.85 2xhb n GLU 719 Ca 0.03 -0.69 -0.39 0.00 -0.02 0.00 0.00 57.16 56.08 2xhb n GLU 719 Cb 0.30 -1.33 -0.06 0.00 -0.02 0.00 0.00 31.44 30.33 2xhb n GLU 719 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2xhb s PHE 720 N -1.85 3.90 -0.18 -0.32 5.36 -1.00 -4.95 117.98 118.94 2xhb s PHE 720 Ca 0.29 1.68 -0.01 0.00 -0.96 0.00 0.00 56.93 57.93 2xhb s PHE 720 Cb 0.15 -2.81 0.05 0.00 -0.34 0.00 0.00 43.02 40.07 2xhb s PHE 720 CO 0.23 0.49 -0.03 0.34 -1.46 0.00 0.00 175.22 174.78 2xhb s ASP 721 N -1.20 3.04 0.31 6.13 -1.08 -1.26 -5.04 116.67 117.57 2xhb s ASP 721 Ca 0.38 -0.79 0.06 0.00 -0.52 0.00 0.00 52.55 51.67 2xhb s ASP 721 Cb -0.23 -0.90 0.72 0.00 -1.46 0.00 0.00 42.92 41.05 2xhb s ASP 721 CO 0.27 -0.22 1.80 -0.65 0.52 0.00 0.00 175.17 176.89 2xhb h PRO 722 N 8.11 0.77 -0.08 4.34 0.11 -1.98 -0.84 132.00 142.44 2xhb h PRO 722 Ca -0.21 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 2xhb h PRO 722 Cb 1.10 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 2xhb h PRO 722 CO 0.39 0.51 -0.07 0.00 -0.21 0.00 0.00 178.00 178.62 2xhb h ALA 723 N 1.61 0.11 0.11 -0.75 0.00 -2.05 -3.39 119.26 114.91 2xhb h ALA 723 Ca 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2xhb h ALA 723 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2xhb h ALA 723 CO -0.33 -0.09 -0.05 -0.22 0.00 0.00 0.00 179.25 178.56 2xhb h LYS 724 N -0.23 -0.14 -7.01 0.00 3.11 -1.93 -3.47 116.57 106.90 2xhb h LYS 724 Ca 0.01 0.01 -0.45 0.00 -2.81 0.00 0.00 60.65 57.41 2xhb h LYS 724 Cb 0.56 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.80 2xhb h LYS 724 CO 0.02 -0.09 0.35 -1.01 -2.81 0.00 0.00 179.45 175.90 2xhb s HIS 725 N -1.94 3.39 -0.21 1.91 3.76 -0.34 -5.06 115.29 116.81 2xhb s HIS 725 Ca -0.02 1.66 0.02 0.00 -0.15 0.00 0.00 55.06 56.56 2xhb s HIS 725 Cb 0.00 -2.89 0.03 0.00 1.11 0.00 0.00 32.58 30.84 2xhb s HIS 725 CO 0.06 -0.08 -0.16 0.15 -0.85 0.00 0.00 174.74 173.86 2xhb s LYS 726 N -2.86 2.64 1.02 1.40 -0.14 -1.26 -4.66 119.74 115.88 2xhb s LYS 726 Ca 0.59 -0.99 -0.12 0.00 -1.36 0.00 0.00 55.97 54.09 2xhb s LYS 726 Cb -0.12 -2.64 0.20 0.00 -1.68 0.00 0.00 37.83 33.59 2xhb s LYS 726 CO 0.17 -0.34 1.08 1.52 -0.76 0.00 0.00 175.35 177.01 2xhb s TYR 727 N 1.25 1.93 -0.88 3.18 -0.85 -1.26 -1.27 117.35 119.45 2xhb s TYR 727 Ca -0.00 1.12 -0.18 0.00 -0.52 0.00 0.00 57.07 57.48 2xhb s TYR 727 Cb -0.16 -3.20 0.14 0.00 0.38 0.00 0.00 41.96 39.12 2xhb s TYR 727 CO -0.10 -3.06 1.04 0.34 -1.52 0.00 0.00 175.55 172.26 2xhb s ASP 728 N -3.18 6.59 0.16 -0.18 -1.08 0.20 -3.90 116.67 115.27 2xhb s ASP 728 Ca 0.66 -2.01 -0.16 0.00 -0.52 0.00 0.00 52.55 50.52 2xhb s ASP 728 Cb -0.20 -2.37 0.09 0.00 -1.46 0.00 0.00 42.92 38.97 2xhb s ASP 728 CO 0.59 -1.03 1.74 0.00 0.52 0.00 0.00 175.17 176.99 2xhb h ALA 729 N 8.78 0.42 -0.65 3.66 0.00 -1.88 -2.05 119.26 127.54 2xhb h ALA 729 Ca 0.09 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.15 2xhb h ALA 729 Cb 1.03 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 2xhb h ALA 729 CO 1.07 -0.30 0.29 1.49 0.00 0.00 0.00 179.25 181.80 2xhb h GLU 730 N 0.23 0.50 -0.10 0.00 4.57 -1.93 -0.35 114.58 117.51 2xhb h GLU 730 Ca 0.18 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 2xhb h GLU 730 Cb 0.19 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2xhb h GLU 730 CO -0.21 0.33 0.03 -0.92 -1.18 0.00 0.00 179.01 177.05 2xhb h TYR 731 N 0.51 0.16 -0.11 0.92 3.20 -1.85 0.20 116.97 120.01 2xhb h TYR 731 Ca 0.32 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.09 2xhb h TYR 731 Cb 0.36 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 2xhb h TYR 731 CO -0.13 0.30 -0.31 1.88 -1.64 0.00 0.00 178.16 178.26 2xhb h TYR 732 N -0.03 0.23 0.57 -3.82 -1.99 -1.08 0.46 116.97 111.31 2xhb h TYR 732 Ca 0.03 -0.05 -0.03 0.00 2.00 0.00 0.00 58.73 60.68 2xhb h TYR 732 Cb 0.22 -0.06 0.01 0.00 2.00 0.00 0.00 36.73 38.90 2xhb h TYR 732 CO -0.00 0.50 -0.27 0.82 -0.00 0.00 0.00 178.16 179.21 2xhb h ILE 733 N 0.19 0.00 0.05 -2.88 2.04 -0.99 0.49 117.51 116.41 2xhb h ILE 733 Ca 0.03 -0.42 -0.23 0.00 1.00 0.00 0.00 64.86 65.23 2xhb h ILE 733 Cb 0.65 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2xhb h ILE 733 CO 0.05 0.00 -1.07 -0.33 0.00 0.00 0.00 178.15 176.80 2xhb h GLU 734 N -1.19 0.15 0.00 2.37 4.39 -0.46 -1.12 114.58 118.72 2xhb h GLU 734 Ca -0.08 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2xhb h GLU 734 Cb 0.59 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2xhb h GLU 734 CO 0.13 1.08 -1.06 0.09 -1.16 0.00 0.00 179.01 178.08 2xhb n ASN 735 N -3.49 0.85 0.03 1.42 4.13 0.16 -4.34 115.26 114.02 2xhb n ASN 735 Ca -0.04 -0.83 0.00 0.00 1.68 0.00 0.00 54.58 55.39 2xhb n ASN 735 Cb 0.94 1.13 0.00 0.00 -1.54 0.00 0.00 39.78 40.31 2xhb n ASN 735 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2xhb n GLN 736 N -1.56 0.00 0.29 3.52 1.13 -1.17 -4.79 117.38 114.79 2xhb n GLN 736 Ca 0.03 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.97 2xhb n GLN 736 Cb 0.34 -0.18 -0.06 0.00 0.11 0.00 0.00 30.24 30.45 2xhb n GLN 736 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2xhb h VAL 737 N 0.00 0.00 -0.57 5.09 2.07 -0.89 -3.16 116.25 118.79 2xhb h VAL 737 Ca 0.00 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.34 2xhb h VAL 737 Cb 0.00 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.73 2xhb h VAL 737 CO 0.00 0.00 0.34 -0.07 0.02 0.00 0.00 177.57 177.86 2xhb h LEU 738 N -0.97 0.56 -2.09 2.57 3.38 -1.43 -1.28 115.31 116.05 2xhb h LEU 738 Ca -0.08 0.01 0.09 0.00 0.09 0.00 0.00 57.88 57.99 2xhb h LEU 738 Cb 0.58 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2xhb h LEU 738 CO 0.13 0.39 0.27 -0.65 0.09 0.00 0.00 178.44 178.66 2xhb h PRO 739 N 0.68 0.00 0.00 1.13 0.11 -1.76 0.72 132.00 132.88 2xhb h PRO 739 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2xhb h PRO 739 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 2xhb h PRO 739 CO -0.11 0.00 -0.27 0.00 -0.21 0.00 0.00 178.00 177.41 2xhb h ALA 740 N 1.76 0.86 0.00 -0.75 0.00 -1.20 -3.39 119.26 116.54 2xhb h ALA 740 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2xhb h ALA 740 Cb 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2xhb h ALA 740 CO -0.00 0.00 -1.38 1.33 0.00 0.00 0.00 179.25 179.20 2xhb n VAL 741 N -2.90 0.38 -0.27 0.00 0.24 -0.72 -4.72 118.33 110.33 2xhb n VAL 741 Ca 0.03 -0.21 0.06 0.00 -2.04 0.00 0.00 64.34 62.18 2xhb n VAL 741 Cb 0.52 -0.83 0.16 0.00 -1.47 0.00 0.00 33.84 32.23 2xhb n VAL 741 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2xhb h GLU 742 N 0.00 0.07 0.02 7.34 4.22 0.24 -0.80 114.58 125.68 2xhb h GLU 742 Ca -0.15 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.29 2xhb h GLU 742 Cb 1.31 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2xhb h GLU 742 CO -0.00 0.05 -0.01 -0.09 -2.18 0.00 0.00 179.01 176.78 2xhb h ARG 743 N 0.07 -0.03 -0.26 1.92 9.65 -1.79 0.19 114.38 124.12 2xhb h ARG 743 Ca 0.43 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 59.38 2xhb h ARG 743 Cb 0.77 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.29 2xhb h ARG 743 CO -0.73 0.33 -0.17 0.82 2.80 0.00 0.00 179.97 183.02 2xhb h ILE 744 N -0.39 0.52 0.00 1.20 2.04 -1.74 -2.43 117.51 116.72 2xhb h ILE 744 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2xhb h ILE 744 Cb 0.37 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2xhb h ILE 744 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 178.08 2xhb h LEU 745 N -0.15 0.00 -1.22 1.44 3.38 -1.01 -2.85 115.31 114.90 2xhb h LEU 745 Ca 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2xhb h LEU 745 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2xhb h LEU 745 CO -0.35 0.00 -0.07 -0.09 0.09 0.00 0.00 178.44 178.02 2xhb h ARG 746 N 0.00 0.46 0.00 1.13 9.65 -0.11 -1.34 114.38 124.17 2xhb h ARG 746 Ca 0.00 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 2xhb h ARG 746 Cb 0.63 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 2xhb h ARG 746 CO 0.00 0.54 0.00 0.00 2.80 0.00 0.00 179.97 183.31 2xhb n ALA 747 N -2.48 2.00 -1.13 2.80 0.00 -1.07 -1.64 120.51 118.97 2xhb n ALA 747 Ca 0.01 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.45 2xhb n ALA 747 Cb 0.27 -1.19 0.11 0.00 0.00 0.00 0.00 19.45 18.64 2xhb n ALA 747 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2xhb n PHE 748 N -0.93 0.00 -1.13 0.00 3.01 -0.55 -1.10 117.46 116.76 2xhb n PHE 748 Ca 0.09 -0.81 -0.05 0.00 1.01 0.00 0.00 57.45 57.69 2xhb n PHE 748 Cb 0.04 -0.13 -0.02 0.00 -0.01 0.00 0.00 39.48 39.36 2xhb n PHE 748 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2xhb n GLY 749 N -1.16 0.73 3.68 1.37 0.00 -0.65 -5.02 105.19 104.14 2xhb n GLY 749 Ca 0.13 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 2xhb n GLY 749 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2xhb s TYR 750 N -2.10 3.33 0.29 1.61 1.51 -0.94 -5.02 117.35 116.04 2xhb s TYR 750 Ca 0.00 0.21 0.06 0.00 -1.01 0.00 0.00 57.07 56.34 2xhb s TYR 750 Cb 0.00 -2.17 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 2xhb s TYR 750 CO 0.00 0.18 0.38 1.03 -1.11 0.00 0.00 175.55 176.03 2xhb s ARG 751 N 0.56 3.14 0.27 -0.62 0.52 -1.26 -3.39 118.95 118.18 2xhb s ARG 751 Ca 0.06 -0.98 -0.01 0.00 -0.52 0.00 0.00 55.73 54.29 2xhb s ARG 751 Cb -0.12 -2.76 0.62 0.00 0.52 0.00 0.00 34.95 33.21 2xhb s ARG 751 CO 0.00 0.23 1.64 0.87 0.02 0.00 0.00 175.30 178.06 2xhb h LYS 752 N 1.11 0.17 -0.18 3.54 1.57 -1.99 0.21 116.57 121.00 2xhb h LYS 752 Ca -0.48 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.34 2xhb h LYS 752 Cb 1.25 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 2xhb h LYS 752 CO 0.57 0.11 0.22 0.93 -0.57 0.00 0.00 179.45 180.72 2xhb h GLU 753 N 0.18 0.00 0.00 3.15 4.39 -1.96 0.28 114.58 120.62 2xhb h GLU 753 Ca 0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.21 2xhb h GLU 753 Cb 0.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2xhb h GLU 753 CO -0.66 0.00 0.00 -0.44 -1.16 0.00 0.00 179.01 176.75 2xhb h ASP 754 N 0.00 0.00 0.18 1.42 3.32 -0.96 -3.36 116.42 117.03 2xhb h ASP 754 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2xhb h ASP 754 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2xhb h ASP 754 CO -0.00 0.00 -1.64 0.18 -1.72 0.00 0.00 179.24 176.06 2xhb n LEU 755 N -3.06 0.30 -4.92 1.55 4.77 0.95 -4.94 117.00 111.65 2xhb n LEU 755 Ca 0.04 -0.02 -0.26 0.00 -0.03 0.00 0.00 56.01 55.74 2xhb n LEU 755 Cb 0.50 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.60 2xhb n LEU 755 CO 0.33 0.01 0.49 -0.13 -1.33 0.00 0.00 177.39 176.76 2xhb s ARG 756 N -3.40 2.99 0.00 3.23 0.52 -1.07 -3.91 118.95 117.31 2xhb s ARG 756 Ca -0.04 -0.05 0.12 0.00 -0.52 0.00 0.00 55.73 55.24 2xhb s ARG 756 Cb 0.14 -2.32 0.09 0.00 0.52 0.00 0.00 34.95 33.38 2xhb s ARG 756 CO 0.88 -0.60 0.88 0.98 0.02 0.00 0.00 175.30 177.46