#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8a n TYR 2 N 0.00 0.14 -4.12 2.03 4.01 -1.26 -4.82 117.16 113.13 1b8a n TYR 2 Ca 0.00 0.04 -0.14 0.00 -0.16 0.00 0.00 57.90 57.64 1b8a n TYR 2 Cb 0.00 -0.57 -0.11 0.00 -0.31 0.00 0.00 39.34 38.35 1b8a n TYR 2 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1b8a s ARG 3 N -3.02 0.70 -0.07 -0.72 1.70 -1.26 -4.46 118.95 111.82 1b8a s ARG 3 Ca 0.12 -0.96 0.07 0.00 -0.47 0.00 0.00 55.73 54.50 1b8a s ARG 3 Cb 0.17 -0.46 -0.10 0.00 -0.57 0.00 0.00 34.95 33.98 1b8a s ARG 3 CO 0.50 0.08 0.05 0.25 -1.08 0.00 0.00 175.30 175.10 1b8a n THR 4 N 1.05 0.46 -4.02 4.99 -2.24 0.12 -4.94 114.28 109.70 1b8a n THR 4 Ca -0.20 -0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 61.12 1b8a n THR 4 Cb 0.56 -0.62 -0.14 0.00 -2.10 0.00 0.00 70.33 68.03 1b8a n THR 4 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1b8a s HIS 5 N -2.26 0.25 0.62 4.78 3.76 -0.97 -4.96 115.29 116.51 1b8a s HIS 5 Ca -0.04 -0.05 -0.09 0.00 -0.15 0.00 0.00 55.06 54.74 1b8a s HIS 5 Cb 0.03 -0.17 -0.01 0.00 1.11 0.00 0.00 32.58 33.55 1b8a s HIS 5 CO 0.33 -0.01 0.97 0.71 -0.85 0.00 0.00 174.74 175.90 1b8a s TYR 6 N -0.05 3.41 0.43 1.40 2.02 -1.26 -4.49 117.35 118.82 1b8a s TYR 6 Ca 0.01 0.95 0.19 0.00 -0.37 0.00 0.00 57.07 57.84 1b8a s TYR 6 Cb -0.01 -2.77 1.12 0.00 -0.40 0.00 0.00 41.96 39.90 1b8a s TYR 6 CO -0.00 -0.82 1.87 0.66 -1.57 0.00 0.00 175.55 175.70 1b8a h SER 7 N -0.30 0.35 0.81 2.29 4.64 -1.92 -0.30 113.55 119.13 1b8a h SER 7 Ca -0.45 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1b8a h SER 7 Cb 1.23 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1b8a h SER 7 CO 0.62 0.15 0.00 -1.54 -0.87 0.00 0.00 176.83 175.19 1b8a n SER 8 N -4.48 0.00 -1.14 4.97 3.41 -1.26 -3.61 113.62 111.51 1b8a n SER 8 Ca 0.18 0.24 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 1b8a n SER 8 Cb 0.69 -0.41 0.21 0.00 -0.26 0.00 0.00 64.21 64.44 1b8a n SER 8 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1b8a n GLU 9 N -1.41 2.49 -3.43 4.33 1.02 -0.12 -4.86 120.64 118.65 1b8a n GLU 9 Ca 0.10 -2.25 -0.41 0.00 -0.02 0.00 0.00 57.16 54.58 1b8a n GLU 9 Cb 0.30 -1.51 -0.10 0.00 -0.02 0.00 0.00 31.44 30.11 1b8a n GLU 9 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1b8a s ILE 10 N -1.54 5.20 0.41 -3.67 1.01 -1.24 -4.92 121.20 116.45 1b8a s ILE 10 Ca 0.38 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.88 1b8a s ILE 10 Cb 0.23 -3.85 -0.06 0.00 0.01 0.00 0.00 42.46 38.79 1b8a s ILE 10 CO 0.32 -0.16 0.02 0.42 0.00 0.00 0.00 174.94 175.54 1b8a s THR 11 N 1.91 1.64 0.32 2.92 -4.23 -1.26 -5.03 115.64 111.91 1b8a s THR 11 Ca 0.09 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.71 1b8a s THR 11 Cb -0.17 -2.79 0.32 0.00 1.34 0.00 0.00 72.50 71.20 1b8a s THR 11 CO 0.11 0.00 1.66 -0.33 -0.54 0.00 0.00 174.62 175.53 1b8a h GLU 12 N 1.77 0.31 -1.07 3.99 4.39 -2.00 0.24 114.58 122.20 1b8a h GLU 12 Ca -0.43 -0.02 0.29 0.00 0.34 0.00 0.00 59.36 59.54 1b8a h GLU 12 Cb 1.25 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.76 1b8a h GLU 12 CO 0.77 0.20 0.72 0.93 -1.16 0.00 0.00 179.01 180.47 1b8a h GLU 13 N 0.32 0.23 -0.34 2.33 4.39 -2.00 0.43 114.58 119.94 1b8a h GLU 13 Ca 0.68 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.36 1b8a h GLU 13 Cb 1.48 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 1b8a h GLU 13 CO -0.61 0.15 0.00 1.28 -1.16 0.00 0.00 179.01 178.67 1b8a n LEU 14 N -4.46 2.36 -4.66 1.33 4.77 0.83 -4.95 117.00 112.22 1b8a n LEU 14 Ca 0.25 -1.09 -0.46 0.00 -0.03 0.00 0.00 56.01 54.69 1b8a n LEU 14 Cb 1.00 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.83 1b8a n LEU 14 CO 0.31 0.54 1.02 -3.20 -1.33 0.00 0.00 177.39 174.74 1b8a n ASN 15 N 0.78 2.67 0.00 -1.43 4.05 0.14 -0.91 115.26 120.55 1b8a n ASN 15 Ca 0.16 1.13 0.00 0.00 0.45 0.00 0.00 54.58 56.32 1b8a n ASN 15 Cb 0.41 -1.40 0.00 0.00 1.23 0.00 0.00 39.78 40.01 1b8a n ASN 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1b8a n GLY 16 N 2.41 1.98 3.94 8.20 0.00 0.55 -4.99 105.19 117.27 1b8a n GLY 16 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1b8a n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b8a s GLN 17 N -0.12 3.50 0.02 1.61 -0.21 -0.09 -4.74 119.66 119.63 1b8a s GLN 17 Ca 0.00 -0.36 -0.20 0.00 0.02 0.00 0.00 55.36 54.82 1b8a s GLN 17 Cb 0.00 -2.72 -0.06 0.00 1.00 0.00 0.00 33.01 31.23 1b8a s GLN 17 CO 0.00 0.24 0.57 0.21 -2.12 0.00 0.00 175.29 174.19 1b8a s LYS 18 N -4.03 4.25 0.22 2.91 2.20 -1.26 -0.96 119.74 123.07 1b8a s LYS 18 Ca 0.39 0.71 -0.01 0.00 -0.36 0.00 0.00 55.97 56.69 1b8a s LYS 18 Cb -0.10 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1b8a s LYS 18 CO 0.33 0.48 0.18 0.14 -0.36 0.00 0.00 175.35 176.12 1b8a s VAL 19 N -0.56 0.00 -0.14 4.02 -7.23 -0.27 -4.97 120.40 111.25 1b8a s VAL 19 Ca 0.30 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1b8a s VAL 19 Cb -0.18 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.30 1b8a s VAL 19 CO 0.17 0.00 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.27 1b8a s LYS 20 N -4.08 2.36 0.28 4.82 1.02 -1.26 -1.55 119.74 121.34 1b8a s LYS 20 Ca 0.38 -0.59 0.10 0.00 0.02 0.00 0.00 55.97 55.87 1b8a s LYS 20 Cb 0.06 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1b8a s LYS 20 CO 0.13 -0.16 -0.03 0.14 -0.92 0.00 0.00 175.35 174.51 1b8a s VAL 21 N 1.27 3.21 0.02 3.17 -7.23 0.41 0.10 120.40 121.35 1b8a s VAL 21 Ca 0.00 -1.99 -0.26 0.00 -1.81 0.00 0.00 61.98 57.92 1b8a s VAL 21 Cb -0.14 -2.76 0.06 0.00 0.56 0.00 0.00 36.38 34.11 1b8a s VAL 21 CO -0.07 -0.36 0.61 0.00 -0.31 0.00 0.00 175.10 174.97 1b8a s ALA 22 N -2.37 -1.58 0.00 1.32 0.00 -1.26 0.15 121.76 118.01 1b8a s ALA 22 Ca 0.32 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1b8a s ALA 22 Cb -0.06 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1b8a s ALA 22 CO 0.19 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1b8a n GLY 23 N 0.52 -0.62 3.73 0.00 0.00 -0.51 -4.61 105.19 103.70 1b8a n GLY 23 Ca -0.18 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 1b8a n GLY 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1b8a s TRP 24 N -3.97 3.32 0.02 1.61 0.51 -0.27 -1.19 118.94 118.96 1b8a s TRP 24 Ca 0.00 0.26 -0.30 0.00 -2.12 0.00 0.00 56.10 53.94 1b8a s TRP 24 Cb 0.00 -1.92 -0.08 0.00 -0.81 0.00 0.00 33.47 30.66 1b8a s TRP 24 CO 0.00 0.46 1.81 0.08 -0.51 0.00 0.00 176.95 178.79 1b8a s VAL 25 N -0.55 3.14 -0.24 4.03 1.01 0.51 -0.21 120.40 128.08 1b8a s VAL 25 Ca 0.11 0.30 -0.05 0.00 0.00 0.00 0.00 61.98 62.34 1b8a s VAL 25 Cb -0.12 -3.19 -0.13 0.00 0.00 0.00 0.00 36.38 32.94 1b8a s VAL 25 CO 0.02 -0.02 -0.26 1.87 0.00 0.00 0.00 175.10 176.71 1b8a n TRP 26 N 6.93 0.00 -3.65 5.22 -0.00 0.14 -0.90 117.44 125.18 1b8a n TRP 26 Ca 0.18 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.53 1b8a n TRP 26 Cb 0.41 -0.89 -0.08 0.00 -0.00 0.00 0.00 31.31 30.75 1b8a n TRP 26 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 1b8a s GLU 27 N -2.46 0.78 -0.03 5.87 2.12 -1.07 -4.93 118.70 118.98 1b8a s GLU 27 Ca -0.33 0.36 0.03 0.00 0.36 0.00 0.00 54.97 55.39 1b8a s GLU 27 Cb 0.10 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.86 1b8a s GLU 27 CO 0.49 -0.18 -0.10 0.08 -0.54 0.00 0.00 175.26 175.00 1b8a s VAL 28 N -0.60 0.87 -0.26 3.70 1.01 -1.26 -0.66 120.40 123.21 1b8a s VAL 28 Ca -0.07 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1b8a s VAL 28 Cb -0.03 -0.77 0.06 0.00 0.00 0.00 0.00 36.38 35.64 1b8a s VAL 28 CO 0.05 0.27 -0.11 -0.75 0.00 0.00 0.00 175.10 174.55 1b8a s LYS 29 N 0.16 2.27 -0.60 2.72 2.20 -0.10 -4.99 119.74 121.39 1b8a s LYS 29 Ca -0.03 -1.33 -0.16 0.00 -0.36 0.00 0.00 55.97 54.10 1b8a s LYS 29 Cb -0.09 -2.87 0.15 0.00 -1.51 0.00 0.00 37.83 33.51 1b8a s LYS 29 CO 0.01 -0.56 0.56 0.34 -0.36 0.00 0.00 175.35 175.34 1b8a s ASP 30 N 1.11 6.31 0.27 1.43 2.15 -1.26 -2.06 116.67 124.62 1b8a s ASP 30 Ca -0.08 -1.98 0.11 0.00 0.43 0.00 0.00 52.55 51.02 1b8a s ASP 30 Cb -0.20 -2.21 -0.05 0.00 -0.30 0.00 0.00 42.92 40.17 1b8a s ASP 30 CO -0.05 -0.80 -0.09 -0.76 -0.17 0.00 0.00 175.17 173.29 1b8a s LEU 31 N 1.30 2.92 0.24 -1.34 1.43 -0.84 -5.05 118.68 117.34 1b8a s LEU 31 Ca 0.06 -0.82 -0.06 0.00 -1.03 0.00 0.00 54.13 52.29 1b8a s LEU 31 Cb -0.26 -1.44 0.33 0.00 0.03 0.00 0.00 46.19 44.85 1b8a s LEU 31 CO 0.00 0.02 1.85 1.23 0.23 0.00 0.00 176.35 179.68 1b8a h GLY 32 N 2.07 1.28 -1.51 -3.19 0.00 -2.03 -3.09 103.07 96.59 1b8a h GLY 32 Ca -0.42 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1b8a h GLY 32 CO 0.60 0.25 0.00 0.61 0.00 0.00 0.00 176.54 178.00 1b8a n GLY 33 N -1.33 2.36 3.60 4.60 0.00 -1.26 -4.93 105.19 108.23 1b8a n GLY 33 Ca 0.12 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 1b8a n GLY 33 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1b8a s ILE 34 N -1.02 0.00 0.03 -0.61 2.07 -1.17 -1.31 121.20 119.19 1b8a s ILE 34 Ca 0.27 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.56 1b8a s ILE 34 Cb 0.14 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.71 1b8a s ILE 34 CO 0.19 0.00 -0.16 -0.54 -1.91 0.00 0.00 174.94 172.52 1b8a s LYS 35 N -1.10 1.11 -0.02 3.50 1.02 -0.82 -1.98 119.74 121.45 1b8a s LYS 35 Ca 0.02 -0.75 0.07 0.00 0.02 0.00 0.00 55.97 55.33 1b8a s LYS 35 Cb -0.01 -1.13 -0.02 0.00 -0.52 0.00 0.00 37.83 36.15 1b8a s LYS 35 CO -0.01 0.29 -0.23 -0.06 -0.92 0.00 0.00 175.35 174.42 1b8a s PHE 36 N -0.71 2.06 -0.04 3.18 0.08 -0.88 -0.59 117.98 121.08 1b8a s PHE 36 Ca 0.04 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 56.67 1b8a s PHE 36 Cb -0.08 -1.33 0.02 0.00 -0.57 0.00 0.00 43.02 41.06 1b8a s PHE 36 CO 0.01 -0.06 -0.04 -1.17 -0.10 0.00 0.00 175.22 173.86 1b8a s LEU 37 N -0.46 1.37 -0.10 -0.37 2.96 0.42 -0.92 118.68 121.58 1b8a s LEU 37 Ca 0.07 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1b8a s LEU 37 Cb -0.09 -0.40 -0.02 0.00 0.50 0.00 0.00 46.19 46.17 1b8a s LEU 37 CO -0.00 -0.05 -0.13 0.26 -1.32 0.00 0.00 176.35 175.11 1b8a s TRP 38 N 0.83 2.79 0.17 5.38 0.51 0.17 0.91 118.94 129.70 1b8a s TRP 38 Ca -0.11 -0.40 0.10 0.00 -2.12 0.00 0.00 56.10 53.57 1b8a s TRP 38 Cb -0.14 -1.76 -0.04 0.00 -0.81 0.00 0.00 33.47 30.72 1b8a s TRP 38 CO -0.00 -0.02 -0.22 0.96 -0.51 0.00 0.00 176.95 177.16 1b8a s ILE 39 N -0.12 2.08 -0.10 2.03 -4.36 -0.63 -0.68 121.20 119.41 1b8a s ILE 39 Ca -0.01 -1.90 0.03 0.00 -0.26 0.00 0.00 60.65 58.51 1b8a s ILE 39 Cb -0.14 -1.94 -0.01 0.00 1.25 0.00 0.00 42.46 41.63 1b8a s ILE 39 CO 0.03 -0.15 -0.20 -0.60 0.24 0.00 0.00 174.94 174.26 1b8a s ARG 40 N -2.55 3.09 0.26 0.37 3.52 0.70 -0.84 118.95 123.51 1b8a s ARG 40 Ca 0.16 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 54.96 1b8a s ARG 40 Cb -0.08 -2.41 -0.00 0.00 -1.56 0.00 0.00 34.95 30.90 1b8a s ARG 40 CO 0.08 0.24 0.01 -0.40 -0.81 0.00 0.00 175.30 174.41 1b8a n ASP 41 N 3.40 2.60 0.27 -2.12 5.68 0.19 -1.12 116.55 125.44 1b8a n ASP 41 Ca -0.18 -2.18 0.18 0.00 -0.50 0.00 0.00 54.79 52.11 1b8a n ASP 41 Cb 0.53 0.22 0.94 0.00 -1.14 0.00 0.00 41.12 41.66 1b8a n ASP 41 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1b8a h ARG 42 N 0.00 0.00 0.00 0.11 0.11 -1.99 -2.68 114.38 109.94 1b8a h ARG 42 Ca -0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.86 1b8a h ARG 42 Cb 0.67 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.75 1b8a h ARG 42 CO 0.36 0.00 -1.08 -0.25 0.10 0.00 0.00 179.97 179.10 1b8a n ASP 43 N -2.76 0.92 0.00 0.08 8.00 -1.26 -5.03 116.55 116.49 1b8a n ASP 43 Ca -0.02 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1b8a n ASP 43 Cb 0.08 1.25 0.00 0.00 -0.02 0.00 0.00 41.12 42.43 1b8a n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b8a n GLY 44 N 1.44 -0.47 3.73 0.44 0.00 -1.01 -4.83 105.19 104.49 1b8a n GLY 44 Ca 0.01 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 1b8a n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b8a s ILE 45 N -3.07 4.32 -0.06 -0.61 -1.09 -1.26 -0.64 121.20 118.80 1b8a s ILE 45 Ca 0.00 -0.76 0.03 0.00 -2.23 0.00 0.00 60.65 57.69 1b8a s ILE 45 Cb 0.00 -3.03 0.01 0.00 -1.58 0.00 0.00 42.46 37.86 1b8a s ILE 45 CO 0.00 0.20 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.09 1b8a s VAL 46 N -1.28 1.20 -0.08 2.92 1.01 -0.02 -4.94 120.40 119.21 1b8a s VAL 46 Ca 0.25 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 1b8a s VAL 46 Cb -0.12 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1b8a s VAL 46 CO 0.17 0.36 0.55 -1.58 0.00 0.00 0.00 175.10 174.61 1b8a s GLN 47 N 0.46 4.34 -0.19 2.72 0.74 -1.26 -1.61 119.66 124.87 1b8a s GLN 47 Ca -0.11 0.60 -0.02 0.00 0.05 0.00 0.00 55.36 55.88 1b8a s GLN 47 Cb -0.14 -3.41 -0.01 0.00 1.10 0.00 0.00 33.01 30.55 1b8a s GLN 47 CO 0.03 0.20 -0.10 0.42 -0.55 0.00 0.00 175.29 175.30 1b8a s ILE 48 N 0.43 3.04 -0.21 -2.34 -1.09 0.26 -0.97 121.20 120.33 1b8a s ILE 48 Ca 0.30 -0.62 -0.02 0.00 -2.23 0.00 0.00 60.65 58.07 1b8a s ILE 48 Cb -0.16 -2.34 -0.00 0.00 -1.58 0.00 0.00 42.46 38.38 1b8a s ILE 48 CO 0.14 0.47 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.34 1b8a s THR 49 N 1.10 3.00 -0.64 2.92 2.01 -0.46 -0.43 115.64 123.13 1b8a s THR 49 Ca 0.01 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.43 1b8a s THR 49 Cb -0.15 -2.34 0.17 0.00 0.01 0.00 0.00 72.50 70.20 1b8a s THR 49 CO -0.02 0.46 0.47 0.00 -0.69 0.00 0.00 174.62 174.84 1b8a n ALA 50 N 4.71 3.32 -1.77 7.40 0.00 0.24 -4.22 120.51 130.19 1b8a n ALA 50 Ca -0.19 -4.24 -0.40 0.00 0.00 0.00 0.00 53.44 48.61 1b8a n ALA 50 Cb 0.51 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 1b8a n ALA 50 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1b8a s PRO 51 N -1.18 4.26 0.27 0.00 0.02 -1.26 -1.93 135.00 135.17 1b8a s PRO 51 Ca 0.27 2.23 -0.02 0.00 0.02 0.00 0.00 61.00 63.50 1b8a s PRO 51 Cb -0.02 -3.00 0.45 0.00 0.02 0.00 0.00 34.50 31.96 1b8a s PRO 51 CO -0.17 -0.27 1.85 -0.22 -0.33 0.00 0.00 177.00 177.85 1b8a h LYS 52 N 3.21 0.99 0.00 5.54 3.64 -1.56 -1.38 116.57 127.01 1b8a h LYS 52 Ca -0.49 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.82 1b8a h LYS 52 Cb 1.23 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1b8a h LYS 52 CO 0.65 0.66 -0.06 0.87 -2.27 0.00 0.00 179.45 179.29 1b8a h LYS 53 N 1.02 0.00 0.00 1.90 1.57 -1.91 -3.30 116.57 115.86 1b8a h LYS 53 Ca 0.45 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.99 1b8a h LYS 53 Cb 0.32 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 1b8a h LYS 53 CO -0.22 0.06 -2.14 1.63 -0.57 0.00 0.00 179.45 178.21 1b8a n LYS 54 N -3.31 0.90 -3.88 3.15 4.76 -0.58 -5.03 118.16 114.16 1b8a n LYS 54 Ca -0.01 -0.06 -0.21 0.00 -2.87 0.00 0.00 58.31 55.16 1b8a n LYS 54 Cb 0.24 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 31.92 1b8a n LYS 54 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1b8a s VAL 55 N -2.72 3.73 0.27 -0.18 -7.23 -0.83 -4.99 120.40 108.46 1b8a s VAL 55 Ca -0.08 -1.38 -0.31 0.00 -1.81 0.00 0.00 61.98 58.40 1b8a s VAL 55 Cb 0.08 -3.23 -0.12 0.00 0.56 0.00 0.00 36.38 33.67 1b8a s VAL 55 CO 0.77 -0.21 1.59 -0.67 -0.31 0.00 0.00 175.10 176.26 1b8a n ASP 56 N -1.33 3.70 -0.15 4.85 2.03 -1.26 -4.85 116.55 119.54 1b8a n ASP 56 Ca -0.03 1.13 0.15 0.00 0.52 0.00 0.00 54.79 56.56 1b8a n ASP 56 Cb 0.59 -1.56 0.50 0.00 -0.72 0.00 0.00 41.12 39.93 1b8a n ASP 56 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1b8a h PRO 57 N 4.98 0.41 -0.16 -0.67 0.11 -1.97 -1.19 132.00 133.51 1b8a h PRO 57 Ca -0.46 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 1b8a h PRO 57 Cb 1.23 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1b8a h PRO 57 CO 0.81 0.27 -0.52 0.93 -0.21 0.00 0.00 178.00 179.28 1b8a h GLU 58 N 0.42 0.45 -0.27 1.05 4.39 -1.99 -2.17 114.58 116.46 1b8a h GLU 58 Ca 0.35 -0.27 -0.18 0.00 0.34 0.00 0.00 59.36 59.60 1b8a h GLU 58 Cb 0.78 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1b8a h GLU 58 CO -0.11 0.86 -0.55 1.25 -1.16 0.00 0.00 179.01 179.30 1b8a h LEU 59 N 0.35 0.91 -0.90 1.33 6.46 -1.62 -1.26 115.31 120.59 1b8a h LEU 59 Ca 0.01 -0.49 0.01 0.00 -0.12 0.00 0.00 57.88 57.29 1b8a h LEU 59 Cb 1.03 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.65 1b8a h LEU 59 CO 0.09 1.28 0.60 0.15 -0.62 0.00 0.00 178.44 179.93 1b8a h PHE 60 N 0.63 1.13 0.00 1.25 3.57 -1.22 -2.31 116.94 119.99 1b8a h PHE 60 Ca 0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1b8a h PHE 60 Cb 1.15 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1b8a h PHE 60 CO 0.07 0.71 -0.24 0.87 -2.23 0.00 0.00 178.31 177.48 1b8a h LYS 61 N 1.22 0.00 -0.14 1.11 1.57 -1.22 -3.31 116.57 115.78 1b8a h LYS 61 Ca 0.33 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.03 1b8a h LYS 61 Cb -0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 1b8a h LYS 61 CO -0.07 0.24 -0.24 1.25 -0.57 0.00 0.00 179.45 180.06 1b8a h LEU 62 N 0.00 0.46 -0.72 2.94 5.85 -0.68 -3.35 115.31 119.81 1b8a h LEU 62 Ca -0.00 -0.54 0.15 0.00 0.84 0.00 0.00 57.88 58.33 1b8a h LEU 62 Cb 1.15 -0.13 -0.11 0.00 0.37 0.00 0.00 40.66 41.94 1b8a h LEU 62 CO 0.03 0.91 0.15 0.40 -0.34 0.00 0.00 178.44 179.60 1b8a h ILE 63 N 0.03 0.52 0.00 4.05 2.04 -1.57 -0.47 117.51 122.11 1b8a h ILE 63 Ca 0.01 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1b8a h ILE 63 Cb 0.82 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1b8a h ILE 63 CO 0.06 0.05 -0.01 -0.65 0.00 0.00 0.00 178.15 177.59 1b8a h PRO 64 N 0.25 0.00 0.00 2.37 0.11 -1.77 -1.14 132.00 131.82 1b8a h PRO 64 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1b8a h PRO 64 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1b8a h PRO 64 CO -0.51 0.01 -0.10 1.63 -0.21 0.00 0.00 178.00 178.82 1b8a n LYS 65 N -3.32 0.06 -2.45 1.05 5.02 -0.19 -4.86 118.16 113.46 1b8a n LYS 65 Ca -0.03 0.04 -0.34 0.00 -2.02 0.00 0.00 58.31 55.96 1b8a n LYS 65 Cb 0.10 -1.56 -0.02 0.00 -0.02 0.00 0.00 35.03 33.53 1b8a n LYS 65 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1b8a s LEU 66 N -3.31 3.81 0.15 -0.35 1.43 -0.43 -5.06 118.68 114.92 1b8a s LEU 66 Ca 0.13 1.99 0.06 0.00 -1.03 0.00 0.00 54.13 55.27 1b8a s LEU 66 Cb 0.17 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 1b8a s LEU 66 CO 0.57 -0.91 -0.13 -0.13 0.23 0.00 0.00 176.35 175.99 1b8a s ARG 67 N -3.27 1.09 0.17 1.70 1.81 -1.26 -5.00 118.95 114.19 1b8a s ARG 67 Ca 0.69 -1.38 -0.33 0.00 -1.72 0.00 0.00 55.73 52.98 1b8a s ARG 67 Cb -0.18 -0.84 -0.16 0.00 -0.45 0.00 0.00 34.95 33.32 1b8a s ARG 67 CO 0.22 0.14 1.21 0.43 -0.68 0.00 0.00 175.30 176.62 1b8a n SER 68 N 0.10 1.52 0.00 0.23 7.64 -1.26 -1.60 113.62 120.24 1b8a n SER 68 Ca -0.12 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1b8a n SER 68 Cb 0.59 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1b8a n SER 68 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1b8a n GLU 69 N 1.89 -0.28 -1.91 1.43 -0.58 -0.08 -4.68 120.64 116.43 1b8a n GLU 69 Ca 0.15 0.07 -0.36 0.00 -0.42 0.00 0.00 57.16 56.60 1b8a n GLU 69 Cb 0.25 -3.51 0.05 0.00 -0.57 0.00 0.00 31.44 27.65 1b8a n GLU 69 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1b8a s ASP 70 N -2.39 4.98 -0.25 1.62 1.01 -0.63 -4.39 116.67 116.63 1b8a s ASP 70 Ca 0.00 2.46 -0.10 0.00 0.71 0.00 0.00 52.55 55.62 1b8a s ASP 70 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1b8a s ASP 70 CO 0.00 -1.74 0.14 -0.69 0.21 0.00 0.00 175.17 173.09 1b8a s VAL 71 N -1.55 5.11 0.15 -1.27 1.01 0.80 -0.36 120.40 124.29 1b8a s VAL 71 Ca 0.79 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.90 1b8a s VAL 71 Cb -0.32 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1b8a s VAL 71 CO 0.35 0.33 -0.06 0.68 0.00 0.00 0.00 175.10 176.40 1b8a s VAL 72 N 1.30 0.95 0.01 2.92 -7.23 -0.34 0.28 120.40 118.29 1b8a s VAL 72 Ca 0.07 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.27 1b8a s VAL 72 Cb -0.14 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.88 1b8a s VAL 72 CO 0.06 -0.69 -0.13 0.00 -0.31 0.00 0.00 175.10 174.03 1b8a s ALA 73 N -3.47 1.11 -0.05 1.32 0.00 -0.16 -1.42 121.76 119.10 1b8a s ALA 73 Ca 0.18 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1b8a s ALA 73 Cb 0.04 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1b8a s ALA 73 CO 0.01 0.25 -0.06 0.08 0.00 0.00 0.00 175.76 176.04 1b8a s VAL 74 N -0.50 0.66 -0.14 0.00 1.01 0.12 -1.30 120.40 120.24 1b8a s VAL 74 Ca 0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1b8a s VAL 74 Cb -0.06 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 1b8a s VAL 74 CO 0.00 0.25 -0.04 -0.70 0.00 0.00 0.00 175.10 174.61 1b8a s GLU 75 N 0.87 3.57 0.06 2.72 2.12 -0.39 -0.44 118.70 127.21 1b8a s GLU 75 Ca -0.12 -0.51 -0.06 0.00 0.36 0.00 0.00 54.97 54.64 1b8a s GLU 75 Cb -0.15 -2.88 0.02 0.00 0.26 0.00 0.00 34.13 31.38 1b8a s GLU 75 CO 0.01 0.30 0.30 0.41 -0.54 0.00 0.00 175.26 175.74 1b8a n GLY 76 N 3.35 1.15 3.69 -1.50 0.00 -0.59 -0.09 105.19 111.20 1b8a n GLY 76 Ca -0.17 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 1b8a n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b8a s VAL 77 N -2.45 4.88 0.12 1.61 1.01 0.67 -1.11 120.40 125.13 1b8a s VAL 77 Ca 0.07 -0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.73 1b8a s VAL 77 Cb -0.01 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.13 1b8a s VAL 77 CO 0.02 0.51 1.32 -0.69 0.00 0.00 0.00 175.10 176.25 1b8a s VAL 78 N -0.06 3.49 -0.22 2.92 1.01 -0.13 -0.72 120.40 126.69 1b8a s VAL 78 Ca 0.07 1.10 -0.03 0.00 0.00 0.00 0.00 61.98 63.12 1b8a s VAL 78 Cb -0.12 -3.71 0.07 0.00 0.00 0.00 0.00 36.38 32.63 1b8a s VAL 78 CO 0.01 0.10 0.08 0.21 0.00 0.00 0.00 175.10 175.50 1b8a s ASN 79 N 0.92 3.02 0.25 3.32 3.04 0.11 -0.33 114.94 125.27 1b8a s ASN 79 Ca 0.61 -0.96 -0.29 0.00 0.04 0.00 0.00 52.86 52.26 1b8a s ASN 79 Cb -0.35 -0.49 -0.09 0.00 -1.54 0.00 0.00 41.25 38.78 1b8a s ASN 79 CO 0.32 -0.36 0.95 -0.36 -3.04 0.00 0.00 177.10 174.61 1b8a s PHE 80 N 1.95 3.92 -0.28 0.43 0.40 -1.26 -1.22 117.98 121.91 1b8a s PHE 80 Ca 0.03 1.88 -0.24 0.00 -0.60 0.00 0.00 56.93 58.00 1b8a s PHE 80 Cb -0.17 -3.00 0.13 0.00 0.51 0.00 0.00 43.02 40.50 1b8a s PHE 80 CO -0.16 0.34 1.06 -0.08 0.70 0.00 0.00 175.22 177.09 1b8a s THR 81 N -1.24 0.00 -0.56 0.64 -1.32 -0.43 -4.96 115.64 107.77 1b8a s THR 81 Ca 0.43 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 61.09 1b8a s THR 81 Cb -0.25 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 69.92 1b8a s THR 81 CO 0.32 0.00 1.57 -0.81 -2.21 0.00 0.00 174.62 173.48 1b8a n PRO 82 N 2.32 0.12 0.07 7.08 -0.04 -1.26 -1.97 135.00 141.32 1b8a n PRO 82 Ca -0.13 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 1b8a n PRO 82 Cb 0.56 -1.78 0.46 0.00 -0.04 0.00 0.00 33.50 32.69 1b8a n PRO 82 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1b8a n LYS 83 N -2.02 0.14 -3.52 0.54 5.02 -1.26 -4.55 118.16 112.51 1b8a n LYS 83 Ca 0.01 0.25 -0.39 0.00 -2.02 0.00 0.00 58.31 56.16 1b8a n LYS 83 Cb 0.14 -1.71 -0.10 0.00 -0.02 0.00 0.00 35.03 33.33 1b8a n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b8a s ALA 84 N -3.13 3.53 0.53 7.82 0.00 -0.83 -4.96 121.76 124.71 1b8a s ALA 84 Ca 0.09 -1.09 0.31 0.00 0.00 0.00 0.00 51.96 51.26 1b8a s ALA 84 Cb 0.12 -2.60 1.46 0.00 0.00 0.00 0.00 23.12 22.10 1b8a s ALA 84 CO 0.46 -0.70 1.89 0.87 0.00 0.00 0.00 175.76 178.28 1b8a h LYS 85 N 8.36 0.02 -0.34 0.00 1.57 -1.86 0.34 116.57 124.66 1b8a h LYS 85 Ca -0.33 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1b8a h LYS 85 Cb 1.17 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1b8a h LYS 85 CO 0.60 0.02 0.00 1.28 -0.57 0.00 0.00 179.45 180.77 1b8a n LEU 86 N -4.29 2.60 0.00 2.94 4.77 -1.26 -4.95 117.00 116.81 1b8a n LEU 86 Ca 0.18 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 1b8a n LEU 86 Cb 0.93 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1b8a n LEU 86 CO 0.38 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1b8a n GLY 87 N 1.32 2.72 3.53 -0.72 0.00 0.12 -5.01 105.19 107.14 1b8a n GLY 87 Ca 0.18 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1b8a n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1b8a s PHE 88 N -2.76 0.34 0.10 1.61 -0.12 -1.26 -1.32 117.98 114.58 1b8a s PHE 88 Ca 0.00 -0.69 -0.02 0.00 -0.05 0.00 0.00 56.93 56.17 1b8a s PHE 88 Cb 0.00 0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.50 1b8a s PHE 88 CO 0.00 -0.93 0.05 -1.83 -0.05 0.00 0.00 175.22 172.47 1b8a s GLU 89 N -4.00 0.83 -0.17 1.99 -1.05 -0.36 -4.57 118.70 111.37 1b8a s GLU 89 Ca 0.20 -1.30 -0.04 0.00 -0.15 0.00 0.00 54.97 53.68 1b8a s GLU 89 Cb 0.00 0.25 -0.03 0.00 -0.44 0.00 0.00 34.13 33.92 1b8a s GLU 89 CO 0.06 -0.22 -0.03 0.42 0.95 0.00 0.00 175.26 176.44 1b8a s ILE 90 N -3.98 3.88 -0.48 1.83 -1.09 -0.15 -0.71 121.20 120.50 1b8a s ILE 90 Ca 0.16 -0.35 -0.19 0.00 -2.23 0.00 0.00 60.65 58.04 1b8a s ILE 90 Cb 0.07 -2.72 0.05 0.00 -1.58 0.00 0.00 42.46 38.28 1b8a s ILE 90 CO -0.03 0.47 0.58 -0.76 -1.23 0.00 0.00 174.94 173.97 1b8a s LEU 91 N 0.59 4.93 0.29 2.97 1.43 0.10 -1.35 118.68 127.65 1b8a s LEU 91 Ca -0.02 -0.83 -0.29 0.00 -1.03 0.00 0.00 54.13 51.96 1b8a s LEU 91 Cb -0.14 -2.46 -0.10 0.00 0.03 0.00 0.00 46.19 43.52 1b8a s LEU 91 CO 0.02 -0.81 1.20 -2.16 0.23 0.00 0.00 176.35 174.83 1b8a s PRO 92 N 2.51 4.50 -0.13 1.29 0.04 -1.26 -0.23 135.00 141.72 1b8a s PRO 92 Ca 0.15 1.99 0.04 0.00 0.04 0.00 0.00 61.00 63.23 1b8a s PRO 92 Cb -0.19 -3.14 -0.11 0.00 0.04 0.00 0.00 34.50 31.10 1b8a s PRO 92 CO 0.13 0.00 -0.06 0.39 0.04 0.00 0.00 177.00 177.50 1b8a n GLU 93 N 1.19 1.05 -3.78 4.56 1.02 0.87 -4.79 120.64 120.76 1b8a n GLU 93 Ca 0.00 0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 57.06 1b8a n GLU 93 Cb 0.43 -1.29 -0.11 0.00 -0.02 0.00 0.00 31.44 30.46 1b8a n GLU 93 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1b8a s LYS 94 N -2.28 0.35 -0.06 3.49 2.20 -0.90 -4.87 119.74 117.67 1b8a s LYS 94 Ca -0.14 0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.84 1b8a s LYS 94 Cb 0.04 0.17 0.02 0.00 -1.51 0.00 0.00 37.83 36.55 1b8a s LYS 94 CO 0.38 -0.05 -0.09 0.42 -0.36 0.00 0.00 175.35 175.65 1b8a s ILE 95 N 0.06 0.92 -0.05 5.43 1.01 -1.26 -1.26 121.20 126.05 1b8a s ILE 95 Ca -0.01 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.35 1b8a s ILE 95 Cb -0.02 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.57 1b8a s ILE 95 CO 0.01 0.31 -0.23 0.68 0.00 0.00 0.00 174.94 175.70 1b8a s VAL 96 N 0.74 1.90 -0.37 2.92 -7.23 -0.42 -4.98 120.40 112.96 1b8a s VAL 96 Ca -0.13 -0.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.87 1b8a s VAL 96 Cb -0.15 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.18 1b8a s VAL 96 CO 0.02 0.53 0.54 -0.69 -0.31 0.00 0.00 175.10 175.19 1b8a s VAL 97 N -0.14 4.98 -0.01 1.32 1.01 -1.26 -0.99 120.40 125.32 1b8a s VAL 97 Ca -0.03 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 1b8a s VAL 97 Cb -0.13 -4.02 -0.27 0.00 0.00 0.00 0.00 36.38 31.96 1b8a s VAL 97 CO 0.03 -0.30 0.81 -0.07 0.00 0.00 0.00 175.10 175.57 1b8a h LEU 98 N 9.20 0.37 -7.00 3.92 3.38 -0.52 -3.48 115.31 121.18 1b8a h LEU 98 Ca -0.27 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.17 1b8a h LEU 98 Cb 1.12 -0.12 -0.22 0.00 0.09 0.00 0.00 40.66 41.53 1b8a h LEU 98 CO 0.80 1.45 0.34 0.21 0.09 0.00 0.00 178.44 181.33 1b8a s ASN 99 N -6.93 -0.55 -0.06 -0.43 3.04 -0.90 -4.97 114.94 104.13 1b8a s ASN 99 Ca -0.10 0.78 -0.04 0.00 0.04 0.00 0.00 52.86 53.55 1b8a s ASN 99 Cb 0.07 0.70 -0.04 0.00 -1.54 0.00 0.00 41.25 40.44 1b8a s ASN 99 CO 0.85 -0.38 0.11 -0.13 -3.04 0.00 0.00 177.10 174.51 1b8a s ARG 100 N -0.62 3.26 0.03 0.43 0.52 -1.26 -0.14 118.95 121.17 1b8a s ARG 100 Ca -0.04 -0.31 -0.11 0.00 -0.52 0.00 0.00 55.73 54.75 1b8a s ARG 100 Cb -0.02 -3.01 -0.06 0.00 0.52 0.00 0.00 34.95 32.38 1b8a s ARG 100 CO 0.03 0.71 0.37 0.00 0.02 0.00 0.00 175.30 176.43 1b8a s ALA 101 N -1.10 3.74 0.72 2.13 0.00 -1.26 -4.94 121.76 121.03 1b8a s ALA 101 Ca 0.19 -0.35 -0.09 0.00 0.00 0.00 0.00 51.96 51.71 1b8a s ALA 101 Cb -0.12 -2.28 0.05 0.00 0.00 0.00 0.00 23.12 20.77 1b8a s ALA 101 CO 0.09 0.54 1.06 -1.21 0.00 0.00 0.00 175.76 176.24 1b8a s GLU 102 N -1.50 2.39 0.02 0.00 2.02 -1.26 -4.91 118.70 115.47 1b8a s GLU 102 Ca 0.27 0.05 0.01 0.00 0.02 0.00 0.00 54.97 55.32 1b8a s GLU 102 Cb -0.15 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 31.97 1b8a s GLU 102 CO 0.15 -1.21 -0.05 -0.08 0.02 0.00 0.00 175.26 174.09 1b8a s THR 103 N -3.32 0.36 0.61 3.63 -1.32 -1.26 -4.43 115.64 109.91 1b8a s THR 103 Ca 0.59 -0.77 -0.14 0.00 -1.21 0.00 0.00 61.69 60.16 1b8a s THR 103 Cb -0.11 -0.42 -0.03 0.00 -1.51 0.00 0.00 72.50 70.43 1b8a s THR 103 CO 0.47 -0.28 1.05 -2.16 -2.21 0.00 0.00 174.62 171.49 1b8a s PRO 104 N -1.12 3.32 0.42 7.08 0.04 -1.26 -5.14 135.00 138.34 1b8a s PRO 104 Ca -0.08 1.07 -0.22 0.00 0.04 0.00 0.00 61.00 61.81 1b8a s PRO 104 Cb -0.07 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 1b8a s PRO 104 CO -0.00 -0.79 0.98 -0.51 0.04 0.00 0.00 177.00 176.72 1b8a s LEU 105 N -4.76 4.01 0.41 -3.56 1.43 -1.26 -4.96 118.68 109.99 1b8a s LEU 105 Ca 0.61 1.82 0.08 0.00 -1.03 0.00 0.00 54.13 55.61 1b8a s LEU 105 Cb -0.14 -4.41 0.86 0.00 0.03 0.00 0.00 46.19 42.53 1b8a s LEU 105 CO 0.42 -0.43 2.01 -0.65 0.23 0.00 0.00 176.35 177.93 1b8a h PRO 106 N 2.11 0.40 -4.43 1.29 0.11 -1.99 -3.44 132.00 126.06 1b8a h PRO 106 Ca -0.49 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.40 1b8a h PRO 106 Cb 1.20 -0.08 -0.15 0.00 0.11 0.00 0.00 31.00 32.08 1b8a h PRO 106 CO 0.61 0.34 -0.67 -0.51 -0.21 0.00 0.00 178.00 177.57 1b8a s LEU 107 N -9.22 2.16 -0.48 2.35 1.43 -1.26 -5.04 118.68 108.62 1b8a s LEU 107 Ca -0.07 -1.10 -0.17 0.00 -1.03 0.00 0.00 54.13 51.75 1b8a s LEU 107 Cb 0.17 0.17 0.06 0.00 0.03 0.00 0.00 46.19 46.62 1b8a s LEU 107 CO 0.73 -0.63 0.51 -0.62 0.23 0.00 0.00 176.35 176.57 1b8a s ASP 108 N -3.02 6.19 0.12 2.29 2.15 -1.26 -4.93 116.67 118.21 1b8a s ASP 108 Ca 0.16 -1.04 0.19 0.00 0.43 0.00 0.00 52.55 52.29 1b8a s ASP 108 Cb 0.07 -2.24 0.79 0.00 -0.30 0.00 0.00 42.92 41.24 1b8a s ASP 108 CO -0.03 -0.76 1.58 -2.65 -0.17 0.00 0.00 175.17 173.14 1b8a n PRO 109 N 5.72 0.09 0.13 4.34 -0.02 -1.26 -2.16 135.00 141.84 1b8a n PRO 109 Ca -0.09 0.33 0.13 0.00 -2.02 0.00 0.00 63.50 61.85 1b8a n PRO 109 Cb 0.45 -1.68 0.32 0.00 -0.02 0.00 0.00 33.50 32.57 1b8a n PRO 109 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1b8a h THR 110 N 0.00 0.00 0.00 3.45 1.35 -1.95 -3.43 112.91 112.33 1b8a h THR 110 Ca 0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1b8a h THR 110 Cb 0.30 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1b8a h THR 110 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1b8a n GLY 111 N 1.26 1.49 0.15 5.82 0.00 -0.92 -4.92 105.19 108.06 1b8a n GLY 111 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1b8a n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b8a h LYS 112 N 2.95 0.42 -5.03 1.61 1.57 -1.92 -3.40 116.57 112.77 1b8a h LYS 112 Ca 0.00 -0.17 -0.65 0.00 -1.87 0.00 0.00 60.65 57.95 1b8a h LYS 112 Cb 0.00 -0.02 -0.16 0.00 0.08 0.00 0.00 32.23 32.13 1b8a h LYS 112 CO 0.00 0.69 -0.25 0.08 -0.57 0.00 0.00 179.45 179.40 1b8a s VAL 113 N -4.68 5.15 0.46 0.50 1.01 -1.26 -5.07 120.40 116.51 1b8a s VAL 113 Ca -0.14 0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.83 1b8a s VAL 113 Cb 0.07 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.53 1b8a s VAL 113 CO 0.75 -0.06 0.97 -0.54 0.00 0.00 0.00 175.10 176.22 1b8a s LYS 114 N 2.08 4.10 0.09 2.72 -0.14 -1.26 -4.50 119.74 122.83 1b8a s LYS 114 Ca 0.13 1.08 0.05 0.00 -1.36 0.00 0.00 55.97 55.87 1b8a s LYS 114 Cb -0.16 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.80 1b8a s LYS 114 CO 0.12 -0.14 -0.13 0.00 -0.76 0.00 0.00 175.35 174.43 1b8a s ALA 115 N -2.33 1.25 0.76 5.17 0.00 -1.26 -5.05 121.76 120.31 1b8a s ALA 115 Ca 0.61 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 1b8a s ALA 115 Cb -0.10 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.02 1b8a s ALA 115 CO 0.20 0.09 1.08 -1.21 0.00 0.00 0.00 175.76 175.92 1b8a s GLU 116 N -2.29 2.35 0.19 0.00 0.41 -1.26 -4.85 118.70 113.25 1b8a s GLU 116 Ca 0.03 0.95 -0.12 0.00 -0.41 0.00 0.00 54.97 55.42 1b8a s GLU 116 Cb -0.07 -1.92 0.18 0.00 -1.78 0.00 0.00 34.13 30.54 1b8a s GLU 116 CO 0.02 -1.51 1.75 1.25 -0.49 0.00 0.00 175.26 176.28 1b8a h LEU 117 N -1.02 0.19 -0.87 1.80 5.85 -2.01 -2.09 115.31 117.16 1b8a h LEU 117 Ca -0.45 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.42 1b8a h LEU 117 Cb 1.24 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.23 1b8a h LEU 117 CO 0.55 0.14 0.52 0.44 -0.34 0.00 0.00 178.44 179.74 1b8a h ASP 118 N 0.37 0.75 -0.24 1.25 3.32 -1.99 0.15 116.42 120.03 1b8a h ASP 118 Ca 0.24 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.22 1b8a h ASP 118 Cb 0.26 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1b8a h ASP 118 CO -0.24 0.43 -0.25 0.74 -1.72 0.00 0.00 179.24 178.20 1b8a h THR 119 N 0.87 1.27 -0.25 0.35 2.02 -1.79 -1.31 112.91 114.06 1b8a h THR 119 Ca 0.41 -1.35 -0.07 0.00 0.77 0.00 0.00 66.41 66.17 1b8a h THR 119 Cb 0.35 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1b8a h THR 119 CO -0.24 0.45 -0.12 0.03 0.37 0.00 0.00 175.52 176.00 1b8a h ARG 120 N 0.62 0.53 -0.20 6.66 3.08 -0.60 -2.67 114.38 121.81 1b8a h ARG 120 Ca 0.08 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1b8a h ARG 120 Cb 0.75 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1b8a h ARG 120 CO 0.06 0.79 0.07 -0.07 -1.07 0.00 0.00 179.97 179.74 1b8a h LEU 121 N 0.26 0.25 -0.62 3.04 3.38 -0.61 -1.28 115.31 119.72 1b8a h LEU 121 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1b8a h LEU 121 Cb 0.63 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1b8a h LEU 121 CO 0.04 0.24 0.00 0.78 0.09 0.00 0.00 178.44 179.59 1b8a h ASN 122 N 0.28 0.00 -1.55 -0.43 2.35 -0.92 -3.29 115.58 112.02 1b8a h ASN 122 Ca 0.07 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.36 1b8a h ASN 122 Cb 0.08 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.05 1b8a h ASN 122 CO -0.01 0.00 -1.07 0.59 -1.65 0.00 0.00 177.43 175.29 1b8a n ASN 123 N -2.43 2.05 -0.17 5.81 3.02 -0.52 -4.93 115.26 118.09 1b8a n ASN 123 Ca 0.03 -3.06 0.07 0.00 -0.03 0.00 0.00 54.58 51.58 1b8a n ASN 123 Cb 0.30 -0.55 0.37 0.00 -0.61 0.00 0.00 39.78 39.29 1b8a n ASN 123 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1b8a h ARG 124 N 2.94 0.70 -0.10 3.52 9.65 -1.51 -0.42 114.38 129.16 1b8a h ARG 124 Ca 0.05 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1b8a h ARG 124 Cb 1.00 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.41 1b8a h ARG 124 CO 0.59 0.47 -0.02 0.27 2.80 0.00 0.00 179.97 184.07 1b8a h PHE 125 N 0.72 0.14 0.18 2.20 -0.00 -1.92 -1.86 116.94 116.39 1b8a h PHE 125 Ca 0.31 -0.00 -0.28 0.00 -0.00 0.00 0.00 57.97 57.99 1b8a h PHE 125 Cb 0.28 -0.04 0.03 0.00 -0.00 0.00 0.00 35.95 36.21 1b8a h PHE 125 CO -0.00 0.17 -1.22 0.52 -0.00 0.00 0.00 178.31 177.78 1b8a h MET 126 N 0.14 0.51 -0.86 6.09 2.86 -1.49 -3.36 114.93 118.83 1b8a h MET 126 Ca 0.03 -0.79 0.07 0.00 -2.06 0.00 0.00 59.70 56.96 1b8a h MET 126 Cb 0.14 0.28 -0.07 0.00 0.06 0.00 0.00 31.60 32.01 1b8a h MET 126 CO 0.00 1.37 0.52 0.22 1.06 0.00 0.00 176.91 180.08 1b8a h ASP 127 N 0.06 0.80 0.35 1.22 3.58 -0.56 -1.48 116.42 120.40 1b8a h ASP 127 Ca -0.20 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1b8a h ASP 127 Cb 1.93 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.84 1b8a h ASP 127 CO 0.23 0.49 0.00 0.18 -2.88 0.00 0.00 179.24 177.26 1b8a n LEU 128 N -4.65 0.00 0.07 2.28 4.32 -0.77 -2.31 117.00 115.94 1b8a n LEU 128 Ca 0.13 0.29 0.11 0.00 -0.02 0.00 0.00 56.01 56.53 1b8a n LEU 128 Cb 0.21 -0.29 0.45 0.00 -1.62 0.00 0.00 43.42 42.17 1b8a n LEU 128 CO 0.30 -0.12 0.85 0.54 -1.22 0.00 0.00 177.39 177.74 1b8a n ARG 129 N -1.29 0.13 -3.09 3.23 1.74 -0.56 -3.89 116.66 112.92 1b8a n ARG 129 Ca 0.08 0.26 -0.39 0.00 -0.77 0.00 0.00 57.85 57.03 1b8a n ARG 129 Cb 0.15 -1.70 -0.05 0.00 -1.02 0.00 0.00 32.46 29.84 1b8a n ARG 129 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1b8a s ARG 130 N -3.13 4.42 0.34 5.56 0.52 -0.98 -4.97 118.95 120.71 1b8a s ARG 130 Ca 0.08 0.81 0.11 0.00 -0.52 0.00 0.00 55.73 56.21 1b8a s ARG 130 Cb 0.12 -3.45 0.91 0.00 0.52 0.00 0.00 34.95 33.05 1b8a s ARG 130 CO 0.43 0.08 1.76 -1.35 0.02 0.00 0.00 175.30 176.24 1b8a h PRO 131 N 6.75 0.56 0.00 3.54 0.11 -1.89 -1.22 132.00 139.85 1b8a h PRO 131 Ca -0.41 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1b8a h PRO 131 Cb 1.19 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1b8a h PRO 131 CO 0.75 0.37 -0.15 1.05 -0.21 0.00 0.00 178.00 179.82 1b8a h GLU 132 N 0.58 0.00 0.05 1.05 4.11 -1.93 0.13 114.58 118.57 1b8a h GLU 132 Ca 0.61 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.78 1b8a h GLU 132 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1b8a h GLU 132 CO -0.40 0.15 -1.42 0.28 0.07 0.00 0.00 179.01 177.69 1b8a h VAL 133 N 0.00 0.90 -0.94 -1.06 2.07 -1.53 -3.25 116.25 112.45 1b8a h VAL 133 Ca -0.00 -2.27 0.14 0.00 0.82 0.00 0.00 66.70 65.39 1b8a h VAL 133 Cb 0.65 2.43 -0.08 0.00 -1.52 0.00 0.00 31.29 32.77 1b8a h VAL 133 CO 0.02 0.54 0.60 -0.03 0.02 0.00 0.00 177.57 178.72 1b8a h MET 134 N -0.60 0.77 -0.75 1.57 1.85 -1.27 -0.79 114.93 115.70 1b8a h MET 134 Ca -0.35 -0.05 0.07 0.00 -0.61 0.00 0.00 59.70 58.76 1b8a h MET 134 Cb 1.56 -0.17 -0.06 0.00 0.43 0.00 0.00 31.60 33.36 1b8a h MET 134 CO -0.08 0.51 0.43 0.00 -0.40 0.00 0.00 176.91 177.37 1b8a h ALA 135 N 1.58 1.02 -0.44 0.39 0.00 -1.04 0.01 119.26 120.77 1b8a h ALA 135 Ca 0.48 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 1b8a h ALA 135 Cb 0.67 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1b8a h ALA 135 CO -0.24 0.12 0.20 0.82 0.00 0.00 0.00 179.25 180.15 1b8a h ILE 136 N 0.78 1.19 0.00 0.00 2.04 -1.18 -1.60 117.51 118.74 1b8a h ILE 136 Ca 0.34 -0.55 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 1b8a h ILE 136 Cb 0.21 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1b8a h ILE 136 CO -0.19 0.21 -0.33 -0.26 0.00 0.00 0.00 178.15 177.58 1b8a h PHE 137 N 0.57 0.00 -0.38 1.37 0.04 -1.02 0.13 116.94 117.65 1b8a h PHE 137 Ca 0.15 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.79 1b8a h PHE 137 Cb 0.14 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1b8a h PHE 137 CO -0.01 0.33 -0.28 0.87 -0.60 0.00 0.00 178.31 178.62 1b8a h LYS 138 N 0.00 0.86 -0.54 1.51 1.57 -0.84 -2.42 116.57 116.71 1b8a h LYS 138 Ca -0.00 -0.42 -0.10 0.00 -1.87 0.00 0.00 60.65 58.26 1b8a h LYS 138 Cb 0.92 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1b8a h LYS 138 CO 0.04 1.06 -0.07 0.82 -0.57 0.00 0.00 179.45 180.74 1b8a h ILE 139 N 0.66 1.26 -0.14 1.86 2.04 -0.87 -1.07 117.51 121.24 1b8a h ILE 139 Ca 0.07 -1.19 0.03 0.00 1.00 0.00 0.00 64.86 64.77 1b8a h ILE 139 Cb 0.86 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1b8a h ILE 139 CO 0.07 0.42 -0.06 -0.09 0.00 0.00 0.00 178.15 178.50 1b8a h ARG 140 N 0.87 -0.04 -0.97 2.37 2.43 -0.90 0.61 114.38 118.75 1b8a h ARG 140 Ca 0.15 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1b8a h ARG 140 Cb 0.60 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.11 1b8a h ARG 140 CO 0.04 -0.02 0.64 1.03 -1.51 0.00 0.00 179.97 180.14 1b8a h SER 141 N -0.04 1.07 -0.59 -3.80 0.87 -1.20 -1.73 113.55 108.14 1b8a h SER 141 Ca 0.08 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1b8a h SER 141 Cb 0.15 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 1b8a h SER 141 CO -0.17 0.75 0.33 0.28 -0.53 0.00 0.00 176.83 177.49 1b8a h SER 142 N 1.25 0.72 -0.67 6.23 0.02 -0.24 -1.87 113.55 118.99 1b8a h SER 142 Ca 0.38 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 1b8a h SER 142 Cb -0.04 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 1b8a h SER 142 CO -0.11 0.60 0.39 0.58 -1.14 0.00 0.00 176.83 177.15 1b8a h VAL 143 N 0.79 1.20 -0.50 2.27 2.07 -0.41 0.02 116.25 121.70 1b8a h VAL 143 Ca 0.21 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1b8a h VAL 143 Cb 0.03 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1b8a h VAL 143 CO -0.04 0.21 0.27 -0.26 0.02 0.00 0.00 177.57 177.77 1b8a h PHE 144 N 0.92 0.69 -0.29 1.57 -1.00 -1.11 -1.49 116.94 116.23 1b8a h PHE 144 Ca 0.24 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.98 1b8a h PHE 144 Cb -0.00 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.33 1b8a h PHE 144 CO -0.01 0.52 0.11 -0.22 -1.61 0.00 0.00 178.31 177.10 1b8a h LYS 145 N 0.66 0.44 -0.52 1.51 3.64 -0.99 -1.87 116.57 119.45 1b8a h LYS 145 Ca 0.17 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1b8a h LYS 145 Cb 0.07 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1b8a h LYS 145 CO -0.03 0.47 0.31 0.00 -2.27 0.00 0.00 179.45 177.94 1b8a h ALA 146 N 0.95 0.67 -0.13 5.00 0.00 -0.79 -0.21 119.26 124.75 1b8a h ALA 146 Ca 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1b8a h ALA 146 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1b8a h ALA 146 CO -0.01 0.02 0.05 0.28 0.00 0.00 0.00 179.25 179.59 1b8a h VAL 147 N 0.62 0.97 -0.77 0.00 2.07 -1.17 -0.76 116.25 117.20 1b8a h VAL 147 Ca 0.21 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 1b8a h VAL 147 Cb 0.03 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1b8a h VAL 147 CO -0.10 0.02 0.33 0.03 0.02 0.00 0.00 177.57 177.87 1b8a h ARG 148 N 0.11 1.14 -0.78 1.57 3.08 -0.98 -1.33 114.38 117.19 1b8a h ARG 148 Ca 0.06 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1b8a h ARG 148 Cb 0.03 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 1b8a h ARG 148 CO -0.06 0.91 0.37 -0.44 -1.07 0.00 0.00 179.97 179.68 1b8a h ASP 149 N 1.12 1.03 -0.40 7.04 3.32 -0.76 -0.53 116.42 127.23 1b8a h ASP 149 Ca 0.26 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 1b8a h ASP 149 Cb 0.18 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1b8a h ASP 149 CO -0.02 0.88 0.04 0.15 -1.72 0.00 0.00 179.24 178.57 1b8a h PHE 150 N 1.11 0.73 -0.47 4.55 3.57 -0.77 -0.48 116.94 125.17 1b8a h PHE 150 Ca 0.27 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1b8a h PHE 150 Cb 0.13 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1b8a h PHE 150 CO 0.01 0.73 0.29 0.74 -2.23 0.00 0.00 178.31 177.85 1b8a h PHE 151 N 0.52 0.55 -0.66 0.41 0.04 -0.92 -2.01 116.94 114.88 1b8a h PHE 151 Ca 0.12 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 1b8a h PHE 151 Cb 0.41 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 1b8a h PHE 151 CO 0.03 0.33 0.29 1.25 -0.60 0.00 0.00 178.31 179.61 1b8a h HIS 152 N 0.59 0.98 0.00 -0.55 2.76 -0.85 -0.88 115.15 117.20 1b8a h HIS 152 Ca 0.18 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1b8a h HIS 152 Cb -0.02 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.65 1b8a h HIS 152 CO -0.06 0.75 0.00 0.93 -1.30 0.00 0.00 177.93 178.26 1b8a h GLU 153 N 0.93 0.00 -0.53 5.26 4.39 -0.77 -2.28 114.58 121.57 1b8a h GLU 153 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1b8a h GLU 153 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1b8a h GLU 153 CO -0.02 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.92 1b8a n ASN 154 N -2.98 4.55 0.00 1.42 4.13 -0.78 -4.96 115.26 116.63 1b8a n ASN 154 Ca -0.01 -2.57 0.00 0.00 1.68 0.00 0.00 54.58 53.69 1b8a n ASN 154 Cb 0.21 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 1b8a n ASN 154 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1b8a n GLY 155 N 0.69 0.46 3.83 7.41 0.00 -0.86 -5.04 105.19 111.68 1b8a n GLY 155 Ca 0.24 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 1b8a n GLY 155 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b8a s PHE 156 N -2.00 3.58 -0.11 1.61 0.40 -0.41 -4.76 117.98 116.29 1b8a s PHE 156 Ca 0.00 1.27 -0.02 0.00 -0.60 0.00 0.00 56.93 57.57 1b8a s PHE 156 Cb 0.00 -2.54 -0.03 0.00 0.51 0.00 0.00 43.02 40.96 1b8a s PHE 156 CO 0.00 0.31 -0.01 0.42 0.70 0.00 0.00 175.22 176.64 1b8a s ILE 157 N -1.60 4.17 0.12 0.64 1.01 0.12 -4.39 121.20 121.26 1b8a s ILE 157 Ca 0.44 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.51 1b8a s ILE 157 Cb -0.15 -2.78 -0.06 0.00 0.01 0.00 0.00 42.46 39.48 1b8a s ILE 157 CO 0.20 0.56 0.95 -0.70 0.00 0.00 0.00 174.94 175.95 1b8a s GLU 158 N -0.44 4.70 0.35 2.79 2.12 -1.26 -1.81 118.70 125.14 1b8a s GLU 158 Ca 0.08 1.43 0.05 0.00 0.36 0.00 0.00 54.97 56.90 1b8a s GLU 158 Cb -0.12 -3.37 -0.07 0.00 0.26 0.00 0.00 34.13 30.83 1b8a s GLU 158 CO 0.02 0.25 0.02 0.96 -0.54 0.00 0.00 175.26 175.97 1b8a s ILE 159 N -0.12 1.54 -0.06 -3.70 -4.36 -0.04 -4.91 121.20 109.56 1b8a s ILE 159 Ca 0.46 -2.02 -0.02 0.00 -0.26 0.00 0.00 60.65 58.80 1b8a s ILE 159 Cb -0.23 -2.81 0.04 0.00 1.25 0.00 0.00 42.46 40.71 1b8a s ILE 159 CO 0.30 -0.05 0.11 -1.00 0.24 0.00 0.00 174.94 174.54 1b8a s HIS 160 N -3.05 -0.09 0.26 1.37 3.76 -1.26 -4.43 115.29 111.85 1b8a s HIS 160 Ca 0.35 0.40 0.07 0.00 -0.15 0.00 0.00 55.06 55.73 1b8a s HIS 160 Cb 0.08 -0.22 -0.05 0.00 1.11 0.00 0.00 32.58 33.50 1b8a s HIS 160 CO 0.16 -0.18 -0.09 0.95 -0.85 0.00 0.00 174.74 174.73 1b8a s THR 161 N 1.55 1.72 0.36 1.30 -4.23 -1.26 -5.12 115.64 109.96 1b8a s THR 161 Ca -0.04 -2.16 -0.28 0.00 -1.18 0.00 0.00 61.69 58.02 1b8a s THR 161 Cb -0.12 -2.34 -0.11 0.00 1.34 0.00 0.00 72.50 71.27 1b8a s THR 161 CO -0.05 -0.38 1.50 -2.65 -0.54 0.00 0.00 174.62 172.50 1b8a n PRO 162 N -0.54 2.68 -0.00 3.99 -0.02 -1.26 -4.93 135.00 134.92 1b8a n PRO 162 Ca -0.06 0.94 0.08 0.00 -2.02 0.00 0.00 63.50 62.44 1b8a n PRO 162 Cb 0.62 -2.68 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 1b8a n PRO 162 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1b8a n LYS 163 N 0.70 1.14 -3.75 -0.52 4.76 -1.26 -4.75 118.16 114.48 1b8a n LYS 163 Ca 0.02 -0.01 -0.37 0.00 -2.87 0.00 0.00 58.31 55.08 1b8a n LYS 163 Cb 0.38 -1.34 -0.12 0.00 -1.84 0.00 0.00 35.03 32.11 1b8a n LYS 163 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1b8a s ILE 164 N -2.70 4.06 0.05 -0.18 1.01 -1.26 -0.19 121.20 121.99 1b8a s ILE 164 Ca 0.06 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.15 1b8a s ILE 164 Cb 0.13 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 1b8a s ILE 164 CO 0.73 0.10 -0.18 0.27 0.00 0.00 0.00 174.94 175.85 1b8a s ILE 165 N 1.52 1.47 0.16 2.92 -4.36 -0.36 -4.96 121.20 117.60 1b8a s ILE 165 Ca 0.03 -1.16 -0.12 0.00 -0.26 0.00 0.00 60.65 59.15 1b8a s ILE 165 Cb -0.17 -1.30 0.05 0.00 1.25 0.00 0.00 42.46 42.29 1b8a s ILE 165 CO 0.03 0.11 1.67 0.00 0.24 0.00 0.00 174.94 176.99 1b8a h ALA 166 N 4.82 0.74 0.00 2.27 0.00 -1.86 0.24 119.26 125.47 1b8a h ALA 166 Ca -0.41 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1b8a h ALA 166 Cb 1.17 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1b8a h ALA 166 CO 0.43 0.45 0.00 0.25 0.00 0.00 0.00 179.25 180.38 1b8a n THR 167 N -4.39 0.00 0.00 0.00 -2.24 -1.26 -4.41 114.28 101.98 1b8a n THR 167 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1b8a n THR 167 Cb 0.24 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1b8a n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b8a n ALA 168 N 0.00 0.00 -4.37 6.98 0.00 -1.26 -5.02 120.51 116.83 1b8a n ALA 168 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1b8a n ALA 168 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1b8a n ALA 168 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1b8a n THR 169 N 0.00 -0.57 0.50 0.00 -1.04 -1.26 -4.67 114.28 107.24 1b8a n THR 169 Ca 0.00 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1b8a n THR 169 Cb 0.00 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.73 1b8a n THR 169 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1b8a n GLU 170 N -4.30 0.40 -3.46 -2.82 0.00 -1.26 -4.65 120.64 104.55 1b8a n GLU 170 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 56.99 1b8a n GLU 170 Cb 0.58 -1.15 0.02 0.00 0.00 0.00 0.00 31.44 30.89 1b8a n GLU 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1b8a n GLY 171 N 0.20 0.79 0.10 -1.84 0.00 -1.26 -4.97 105.19 98.20 1b8a n GLY 171 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1b8a n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8a n GLY 172 N -0.58 -0.29 1.31 -0.02 0.00 -1.26 -5.07 105.19 99.28 1b8a n GLY 172 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1b8a n GLY 172 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1b8a n THR 173 N -1.82 0.00 -1.23 2.61 -1.04 -1.26 -4.55 114.28 106.99 1b8a n THR 173 Ca 0.00 -0.44 -0.08 0.00 -2.04 0.00 0.00 64.05 61.49 1b8a n THR 173 Cb 0.00 -1.49 -0.03 0.00 -1.82 0.00 0.00 70.33 66.99 1b8a n THR 173 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1b8a n GLU 174 N -1.77 -0.76 -4.21 -2.82 1.02 -1.26 -4.97 120.64 105.88 1b8a n GLU 174 Ca 0.06 0.71 -0.32 0.00 -0.02 0.00 0.00 57.16 57.59 1b8a n GLU 174 Cb 0.20 -4.59 -0.08 0.00 -0.02 0.00 0.00 31.44 26.94 1b8a n GLU 174 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1b8a s LEU 175 N -1.77 3.59 -0.52 -4.62 1.43 -1.26 -0.53 118.68 114.99 1b8a s LEU 175 Ca 0.00 -0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 52.91 1b8a s LEU 175 Cb 0.00 -2.12 0.08 0.00 0.03 0.00 0.00 46.19 44.18 1b8a s LEU 175 CO 0.00 0.25 0.58 -0.36 0.23 0.00 0.00 176.35 177.05 1b8a s PHE 176 N -1.16 3.10 0.53 0.29 0.08 -1.26 -4.66 117.98 114.91 1b8a s PHE 176 Ca 0.22 -0.81 -0.20 0.00 0.12 0.00 0.00 56.93 56.26 1b8a s PHE 176 Cb -0.12 -3.59 -0.06 0.00 -0.57 0.00 0.00 43.02 38.68 1b8a s PHE 176 CO 0.13 -1.04 1.12 -1.25 -0.10 0.00 0.00 175.22 174.09 1b8a s PRO 177 N 2.30 3.41 -0.10 0.24 0.04 -1.26 -1.53 135.00 138.11 1b8a s PRO 177 Ca 0.10 1.60 -0.18 0.00 0.04 0.00 0.00 61.00 62.56 1b8a s PRO 177 Cb -0.23 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.32 1b8a s PRO 177 CO 0.08 -0.80 0.45 1.41 0.04 0.00 0.00 177.00 178.19 1b8a s MET 178 N -3.24 0.68 0.07 4.56 1.75 0.18 -4.87 119.30 118.43 1b8a s MET 178 Ca 0.72 0.29 -0.26 0.00 -1.25 0.00 0.00 55.69 55.19 1b8a s MET 178 Cb -0.24 0.32 -0.06 0.00 2.84 0.00 0.00 34.83 37.69 1b8a s MET 178 CO 0.27 -0.15 0.79 0.21 -0.65 0.00 0.00 175.02 175.48 1b8a s LYS 179 N -0.55 4.53 -0.51 4.11 2.47 -1.26 0.72 119.74 129.25 1b8a s LYS 179 Ca -0.07 1.12 0.04 0.00 -1.56 0.00 0.00 55.97 55.51 1b8a s LYS 179 Cb -0.03 -3.35 0.13 0.00 -1.46 0.00 0.00 37.83 33.12 1b8a s LYS 179 CO 0.04 0.32 0.24 -0.47 0.16 0.00 0.00 175.35 175.64 1b8a s TYR 180 N -0.24 3.23 0.00 4.03 5.04 0.75 -4.86 117.35 125.31 1b8a s TYR 180 Ca 0.39 -3.16 0.00 0.00 -2.44 0.00 0.00 57.07 51.86 1b8a s TYR 180 Cb -0.21 -2.83 0.00 0.00 0.35 0.00 0.00 41.96 39.26 1b8a s TYR 180 CO 0.24 -0.76 0.00 1.19 -1.34 0.00 0.00 175.55 174.88 1b8a n PHE 181 N 3.20 0.00 0.24 4.97 3.72 -1.26 -0.81 117.46 127.52 1b8a n PHE 181 Ca 0.05 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.58 1b8a n PHE 181 Cb 0.33 0.00 0.35 0.00 -0.94 0.00 0.00 39.48 39.22 1b8a n PHE 181 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1b8a h GLU 182 N 0.00 0.00 -7.05 -1.08 3.07 -2.02 -3.46 114.58 104.04 1b8a h GLU 182 Ca 0.00 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.37 1b8a h GLU 182 Cb 0.00 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 27.95 1b8a h GLU 182 CO 0.00 0.03 0.19 -1.21 -1.40 0.00 0.00 179.01 176.62 1b8a s GLU 183 N -3.37 3.50 -0.09 2.33 0.41 0.01 -5.06 118.70 116.43 1b8a s GLU 183 Ca 0.05 0.31 -0.16 0.00 -0.41 0.00 0.00 54.97 54.75 1b8a s GLU 183 Cb 0.07 -2.30 -0.05 0.00 -1.78 0.00 0.00 34.13 30.07 1b8a s GLU 183 CO 0.63 -0.33 0.42 -0.51 -0.49 0.00 0.00 175.26 174.98 1b8a s ASP 184 N -4.14 6.67 0.35 -0.19 1.01 -1.26 -0.17 116.67 118.93 1b8a s ASP 184 Ca 0.50 0.80 0.04 0.00 0.71 0.00 0.00 52.55 54.60 1b8a s ASP 184 Cb -0.10 -2.26 -0.02 0.00 1.01 0.00 0.00 42.92 41.55 1b8a s ASP 184 CO 0.47 0.11 0.36 0.00 0.21 0.00 0.00 175.17 176.32 1b8a s ALA 185 N 0.11 1.52 0.11 5.23 0.00 0.22 -4.72 121.76 124.22 1b8a s ALA 185 Ca 0.23 -1.91 -0.04 0.00 0.00 0.00 0.00 51.96 50.25 1b8a s ALA 185 Cb -0.15 1.36 -0.03 0.00 0.00 0.00 0.00 23.12 24.30 1b8a s ALA 185 CO 0.10 -0.71 0.09 -0.06 0.00 0.00 0.00 175.76 175.18 1b8a s PHE 186 N -3.22 0.59 0.08 0.00 0.08 0.83 0.50 117.98 116.83 1b8a s PHE 186 Ca 0.37 -1.01 -0.23 0.00 0.12 0.00 0.00 56.93 56.18 1b8a s PHE 186 Cb 0.01 -0.32 -0.07 0.00 -0.57 0.00 0.00 43.02 42.08 1b8a s PHE 186 CO 0.26 -0.52 0.70 -0.51 -0.10 0.00 0.00 175.22 175.04 1b8a s LEU 187 N -2.97 4.51 0.34 -0.37 1.43 -0.58 -1.22 118.68 119.82 1b8a s LEU 187 Ca 0.16 1.42 -0.28 0.00 -1.03 0.00 0.00 54.13 54.39 1b8a s LEU 187 Cb 0.06 -3.12 -0.10 0.00 0.03 0.00 0.00 46.19 43.06 1b8a s LEU 187 CO -0.03 0.15 1.34 0.00 0.23 0.00 0.00 176.35 178.04 1b8a s ALA 188 N -0.68 3.50 -0.51 4.21 0.00 0.73 -4.52 121.76 124.49 1b8a s ALA 188 Ca 0.34 1.32 0.22 0.00 0.00 0.00 0.00 51.96 53.83 1b8a s ALA 188 Cb -0.21 -3.50 -0.24 0.00 0.00 0.00 0.00 23.12 19.17 1b8a s ALA 188 CO 0.22 -0.72 0.73 0.39 0.00 0.00 0.00 175.76 176.39 1b8a n GLU 189 N 0.72 0.34 -3.60 0.00 1.02 -1.25 -1.12 120.64 116.74 1b8a n GLU 189 Ca 0.00 -0.09 -0.09 0.00 -0.02 0.00 0.00 57.16 56.97 1b8a n GLU 189 Cb 0.41 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.25 1b8a n GLU 189 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1b8a s SER 190 N -3.82 -0.34 -0.01 1.62 0.15 -1.26 -4.53 113.70 105.51 1b8a s SER 190 Ca 0.00 0.47 0.06 0.00 0.70 0.00 0.00 55.95 57.18 1b8a s SER 190 Cb 0.15 0.41 0.18 0.00 -1.71 0.00 0.00 66.02 65.04 1b8a s SER 190 CO 0.88 -0.25 1.10 -0.81 1.20 0.00 0.00 173.24 175.36 1b8a n PRO 191 N 1.13 1.52 -0.36 5.44 -0.04 -1.26 -4.63 135.00 136.80 1b8a n PRO 191 Ca -0.10 -0.71 -0.07 0.00 -0.04 0.00 0.00 63.50 62.58 1b8a n PRO 191 Cb 0.57 -1.22 -0.05 0.00 -0.04 0.00 0.00 33.50 32.77 1b8a n PRO 191 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1b8a n GLN 192 N 0.08 -0.33 -0.27 0.54 -0.06 -1.26 -1.09 117.38 114.99 1b8a n GLN 192 Ca 0.07 1.32 -0.02 0.00 -2.00 0.00 0.00 57.00 56.36 1b8a n GLN 192 Cb 0.21 -1.95 0.16 0.00 -4.06 0.00 0.00 30.24 24.60 1b8a n GLN 192 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1b8a h LEU 193 N 0.00 1.00 -0.13 1.69 3.38 -2.00 -2.42 115.31 116.82 1b8a h LEU 193 Ca 0.19 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1b8a h LEU 193 Cb 0.41 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1b8a h LEU 193 CO -0.83 0.79 -0.38 1.88 0.09 0.00 0.00 178.44 179.99 1b8a h TYR 194 N 1.13 0.63 -0.00 1.13 0.05 -1.46 -1.65 116.97 116.80 1b8a h TYR 194 Ca 0.29 -0.25 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 1b8a h TYR 194 Cb 0.00 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 1b8a h TYR 194 CO 0.01 0.99 -0.22 1.57 -1.05 0.00 0.00 178.16 179.46 1b8a h LYS 195 N 0.08 0.00 -0.20 4.88 2.10 -1.11 -1.27 116.57 121.05 1b8a h LYS 195 Ca -0.01 -0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.54 1b8a h LYS 195 Cb 1.00 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.33 1b8a h LYS 195 CO 0.08 0.22 -0.24 0.93 -2.00 0.00 0.00 179.45 178.44 1b8a h GLU 196 N 0.00 0.52 -0.87 0.07 5.08 -1.39 -2.95 114.58 115.04 1b8a h GLU 196 Ca -0.00 -0.29 0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1b8a h GLU 196 Cb 0.38 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 1b8a h GLU 196 CO 0.03 0.88 0.56 0.82 -1.00 0.00 0.00 179.01 180.30 1b8a h ILE 197 N 0.19 0.92 0.00 3.13 2.04 -0.52 0.24 117.51 123.52 1b8a h ILE 197 Ca 0.03 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1b8a h ILE 197 Cb 0.80 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1b8a h ILE 197 CO 0.06 0.15 0.00 0.23 0.00 0.00 0.00 178.15 178.58 1b8a n MET 198 N -4.54 0.16 0.10 2.37 2.81 -0.55 -2.20 117.12 115.27 1b8a n MET 198 Ca 0.16 0.33 0.11 0.00 -1.81 0.00 0.00 57.70 56.48 1b8a n MET 198 Cb 0.36 -1.77 0.45 0.00 -0.71 0.00 0.00 33.22 31.56 1b8a n MET 198 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1b8a n MET 199 N -2.05 0.16 -0.09 0.03 2.81 0.07 -1.66 117.12 116.40 1b8a n MET 199 Ca 0.03 0.37 0.12 0.00 -1.81 0.00 0.00 57.70 56.41 1b8a n MET 199 Cb 0.26 -1.79 0.30 0.00 -0.71 0.00 0.00 33.22 31.27 1b8a n MET 199 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1b8a n ALA 200 N -1.72 2.49 0.42 3.04 0.00 -0.93 -4.32 120.51 119.48 1b8a n ALA 200 Ca 0.03 -0.69 0.11 0.00 0.00 0.00 0.00 53.44 52.89 1b8a n ALA 200 Cb 0.23 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 1b8a n ALA 200 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1b8a n SER 201 N 0.86 0.57 0.00 0.00 3.41 -0.66 -4.95 113.62 112.85 1b8a n SER 201 Ca 0.17 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1b8a n SER 201 Cb 0.47 0.90 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 1b8a n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b8a n GLY 202 N 1.32 3.05 0.37 5.00 0.00 -1.26 -4.93 105.19 108.75 1b8a n GLY 202 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1b8a n GLY 202 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1b8a h LEU 203 N 0.00 0.55 0.00 0.99 3.38 -1.89 -3.44 115.31 114.89 1b8a h LEU 203 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1b8a h LEU 203 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1b8a h LEU 203 CO 0.00 0.30 0.00 0.47 0.09 0.00 0.00 178.44 179.30 1b8a n ASP 204 N -4.51 0.00 -3.70 -0.43 8.00 -1.26 -4.65 116.55 110.00 1b8a n ASP 204 Ca 0.14 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.35 1b8a n ASP 204 Cb 0.42 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.37 1b8a n ASP 204 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1b8a s ARG 205 N 0.00 0.61 0.17 -1.24 0.52 -1.26 0.49 118.95 118.24 1b8a s ARG 205 Ca 0.00 -0.83 0.08 0.00 -0.52 0.00 0.00 55.73 54.46 1b8a s ARG 205 Cb 0.00 -1.86 -0.04 0.00 0.52 0.00 0.00 34.95 33.57 1b8a s ARG 205 CO 0.00 -0.92 -0.16 0.14 0.02 0.00 0.00 175.30 174.38 1b8a s VAL 206 N 1.76 1.73 0.04 3.52 -7.23 -0.67 -0.70 120.40 118.85 1b8a s VAL 206 Ca 0.07 -1.99 -0.07 0.00 -1.81 0.00 0.00 61.98 58.18 1b8a s VAL 206 Cb -0.17 -1.87 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 1b8a s VAL 206 CO -0.24 -0.42 0.14 -0.72 -0.31 0.00 0.00 175.10 173.55 1b8a s TYR 207 N -2.36 0.15 -0.07 2.82 1.13 -0.75 -2.06 117.35 116.21 1b8a s TYR 207 Ca 0.17 -0.44 -0.05 0.00 -1.41 0.00 0.00 57.07 55.34 1b8a s TYR 207 Cb -0.04 -0.10 0.03 0.00 -1.10 0.00 0.00 41.96 40.75 1b8a s TYR 207 CO 0.06 -0.41 0.19 -2.00 -2.51 0.00 0.00 175.55 170.88 1b8a s GLU 208 N -2.75 0.19 -0.24 -3.49 2.12 0.39 -0.86 118.70 114.05 1b8a s GLU 208 Ca -0.04 0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.63 1b8a s GLU 208 Cb -0.00 0.01 0.06 0.00 0.26 0.00 0.00 34.13 34.46 1b8a s GLU 208 CO -0.05 -0.08 -0.07 0.42 -0.54 0.00 0.00 175.26 174.94 1b8a s ILE 209 N 0.51 1.75 0.25 -3.70 1.01 -1.26 -0.63 121.20 119.12 1b8a s ILE 209 Ca -0.03 -1.35 -0.21 0.00 0.00 0.00 0.00 60.65 59.05 1b8a s ILE 209 Cb -0.05 -1.95 0.03 0.00 0.01 0.00 0.00 42.46 40.50 1b8a s ILE 209 CO -0.02 -0.07 0.67 0.00 0.00 0.00 0.00 174.94 175.52 1b8a s ALA 210 N 1.30 -1.25 0.62 9.38 0.00 -0.82 -4.97 121.76 126.02 1b8a s ALA 210 Ca -0.07 -0.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.57 1b8a s ALA 210 Cb -0.19 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1b8a s ALA 210 CO -0.06 -0.96 1.16 -2.14 0.00 0.00 0.00 175.76 173.76 1b8a s PRO 211 N -3.88 2.87 0.09 0.00 0.02 -1.26 -0.73 135.00 132.10 1b8a s PRO 211 Ca 0.09 1.64 0.03 0.00 0.02 0.00 0.00 61.00 62.78 1b8a s PRO 211 Cb -0.04 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 1b8a s PRO 211 CO 0.02 -1.24 -0.09 0.96 -0.33 0.00 0.00 177.00 176.32 1b8a s ILE 212 N -1.91 0.81 -0.05 2.83 -4.36 0.85 -4.79 121.20 114.58 1b8a s ILE 212 Ca 0.73 -1.62 0.01 0.00 -0.26 0.00 0.00 60.65 59.51 1b8a s ILE 212 Cb -0.26 -1.31 0.02 0.00 1.25 0.00 0.00 42.46 42.16 1b8a s ILE 212 CO 0.36 -0.61 -0.06 -0.36 0.24 0.00 0.00 174.94 174.51 1b8a s PHE 213 N -2.56 0.87 -0.06 1.37 0.08 -0.28 -1.55 117.98 115.87 1b8a s PHE 213 Ca 0.04 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 56.81 1b8a s PHE 213 Cb -0.02 -0.74 0.04 0.00 -0.57 0.00 0.00 43.02 41.73 1b8a s PHE 213 CO -0.01 -0.21 0.12 1.03 -0.10 0.00 0.00 175.22 176.05 1b8a s ARG 214 N 0.89 0.06 -1.16 0.44 0.52 -0.50 -3.89 118.95 115.32 1b8a s ARG 214 Ca -0.11 0.34 -0.15 0.00 -0.52 0.00 0.00 55.73 55.28 1b8a s ARG 214 Cb -0.15 -0.20 0.16 0.00 0.52 0.00 0.00 34.95 35.28 1b8a s ARG 214 CO 0.01 -0.17 1.39 0.00 0.02 0.00 0.00 175.30 176.54 1b8a s ALA 215 N 1.18 3.84 0.31 2.13 0.00 0.31 -4.27 121.76 125.25 1b8a s ALA 215 Ca -0.09 -3.22 -0.29 0.00 0.00 0.00 0.00 51.96 48.36 1b8a s ALA 215 Cb -0.12 -4.14 -0.11 0.00 0.00 0.00 0.00 23.12 18.76 1b8a s ALA 215 CO -0.05 -2.84 1.47 -1.21 0.00 0.00 0.00 175.76 173.12 1b8a s GLU 216 N 1.94 4.20 0.09 0.00 0.41 -1.26 -4.02 118.70 120.07 1b8a s GLU 216 Ca 0.41 2.43 -0.15 0.00 -0.41 0.00 0.00 54.97 57.25 1b8a s GLU 216 Cb -0.03 -3.04 -0.09 0.00 -1.78 0.00 0.00 34.13 29.19 1b8a s GLU 216 CO -0.02 -0.46 1.41 0.93 -0.49 0.00 0.00 175.26 176.63 1b8a h GLU 217 N 4.10 0.67 -6.48 1.61 5.08 -1.97 -3.45 114.58 114.14 1b8a h GLU 217 Ca -0.48 -0.36 -0.68 0.00 -1.00 0.00 0.00 59.36 56.83 1b8a h GLU 217 Cb 1.23 0.02 -0.21 0.00 0.50 0.00 0.00 28.75 30.28 1b8a h GLU 217 CO 0.72 0.97 -0.78 -1.01 -1.00 0.00 0.00 179.01 177.91 1b8a s HIS 218 N -4.34 2.64 -0.33 4.33 3.76 -1.26 -5.06 115.29 115.03 1b8a s HIS 218 Ca -0.12 -0.20 -0.25 0.00 -0.15 0.00 0.00 55.06 54.33 1b8a s HIS 218 Cb 0.08 -1.52 0.01 0.00 1.11 0.00 0.00 32.58 32.26 1b8a s HIS 218 CO 0.82 0.26 0.87 1.21 -0.85 0.00 0.00 174.74 177.05 1b8a s ASN 219 N -1.30 6.69 0.32 1.40 2.47 -1.26 -4.97 114.94 118.30 1b8a s ASN 219 Ca 0.14 0.65 0.03 0.00 0.42 0.00 0.00 52.86 54.11 1b8a s ASN 219 Cb -0.11 -2.44 -0.05 0.00 -1.45 0.00 0.00 41.25 37.20 1b8a s ASN 219 CO 0.05 -0.74 0.08 0.42 -3.72 0.00 0.00 177.10 173.19 1b8a s THR 220 N 3.22 0.94 -1.73 -5.21 -4.23 -1.26 -5.02 115.64 102.34 1b8a s THR 220 Ca 0.36 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.17 1b8a s THR 220 Cb -0.13 -2.68 0.69 0.00 1.34 0.00 0.00 72.50 71.71 1b8a s THR 220 CO 0.15 0.00 2.10 0.35 -0.54 0.00 0.00 174.62 176.68 1b8a n THR 221 N -0.67 0.00 -0.06 3.99 -2.24 -1.26 -3.73 114.28 110.31 1b8a n THR 221 Ca -0.02 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1b8a n THR 221 Cb 0.66 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1b8a n THR 221 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1b8a n ARG 222 N -1.08 0.03 -4.32 -0.78 1.85 -1.26 -0.92 116.66 110.18 1b8a n ARG 222 Ca 0.19 -0.72 -0.23 0.00 -1.00 0.00 0.00 57.85 56.08 1b8a n ARG 222 Cb 0.19 -0.97 -0.13 0.00 -1.05 0.00 0.00 32.46 30.51 1b8a n ARG 222 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1b8a s HIS 223 N -0.24 1.72 0.20 2.89 3.76 -1.24 -4.96 115.29 117.42 1b8a s HIS 223 Ca 0.00 -0.42 0.04 0.00 -0.15 0.00 0.00 55.06 54.53 1b8a s HIS 223 Cb 0.00 -0.95 -0.05 0.00 1.11 0.00 0.00 32.58 32.69 1b8a s HIS 223 CO 0.00 0.17 -0.04 -0.51 -0.85 0.00 0.00 174.74 173.51 1b8a s LEU 224 N -1.79 2.31 0.00 0.89 1.43 -1.26 -4.57 118.68 115.69 1b8a s LEU 224 Ca 0.05 -1.15 0.25 0.00 -1.03 0.00 0.00 54.13 52.26 1b8a s LEU 224 Cb -0.10 -0.30 0.54 0.00 0.03 0.00 0.00 46.19 46.35 1b8a s LEU 224 CO 0.04 -0.45 1.43 0.59 0.23 0.00 0.00 176.35 178.19 1b8a n ASN 225 N -0.35 0.73 -3.79 2.29 3.02 0.11 -4.72 115.26 112.54 1b8a n ASN 225 Ca -0.07 -0.52 -0.16 0.00 -0.03 0.00 0.00 54.58 53.80 1b8a n ASN 225 Cb 0.63 0.26 -0.16 0.00 -0.61 0.00 0.00 39.78 39.89 1b8a n ASN 225 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1b8a s GLU 226 N -2.83 0.13 0.29 3.52 2.12 -1.26 -1.41 118.70 119.27 1b8a s GLU 226 Ca 0.15 0.13 -0.06 0.00 0.36 0.00 0.00 54.97 55.56 1b8a s GLU 226 Cb 0.18 -0.37 -0.01 0.00 0.26 0.00 0.00 34.13 34.20 1b8a s GLU 226 CO 0.65 -0.15 0.42 0.00 -0.54 0.00 0.00 175.26 175.64 1b8a s ALA 227 N 1.05 0.51 -0.18 6.30 0.00 -0.59 -4.72 121.76 124.13 1b8a s ALA 227 Ca -0.09 -1.34 -0.02 0.00 0.00 0.00 0.00 51.96 50.50 1b8a s ALA 227 Cb -0.13 1.17 -0.01 0.00 0.00 0.00 0.00 23.12 24.14 1b8a s ALA 227 CO -0.02 -0.78 -0.08 -1.58 0.00 0.00 0.00 175.76 173.29 1b8a s TRP 228 N -3.54 2.90 -0.10 0.00 0.52 -1.26 -0.11 118.94 117.36 1b8a s TRP 228 Ca 0.29 -0.82 -0.01 0.00 0.02 0.00 0.00 56.10 55.58 1b8a s TRP 228 Cb 0.01 -1.99 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 1b8a s TRP 228 CO 0.15 -0.40 -0.06 0.45 0.02 0.00 0.00 176.95 177.11 1b8a s SER 229 N 0.97 4.66 -0.46 2.95 0.15 0.09 -0.84 113.70 121.21 1b8a s SER 229 Ca -0.01 -0.08 -0.15 0.00 0.70 0.00 0.00 55.95 56.41 1b8a s SER 229 Cb -0.15 -1.42 0.06 0.00 -1.71 0.00 0.00 66.02 62.81 1b8a s SER 229 CO -0.00 0.28 0.37 -0.63 1.20 0.00 0.00 173.24 174.46 1b8a s ILE 230 N -0.34 5.17 0.05 6.45 1.01 0.73 -1.95 121.20 132.32 1b8a s ILE 230 Ca 0.05 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 59.73 1b8a s ILE 230 Cb -0.12 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1b8a s ILE 230 CO 0.02 -0.53 -0.08 -1.81 0.00 0.00 0.00 174.94 172.55 1b8a s ASP 231 N 2.43 4.54 0.04 3.58 1.01 0.20 -0.11 116.67 128.36 1b8a s ASP 231 Ca 0.04 -0.25 -0.14 0.00 0.71 0.00 0.00 52.55 52.91 1b8a s ASP 231 Cb -0.23 -0.98 0.02 0.00 1.01 0.00 0.00 42.92 42.74 1b8a s ASP 231 CO 0.07 0.23 0.31 -0.55 0.21 0.00 0.00 175.17 175.44 1b8a s SER 232 N -1.79 -0.13 -0.14 0.27 0.15 -0.87 -0.47 113.70 110.73 1b8a s SER 232 Ca 0.19 -0.18 -0.12 0.00 0.70 0.00 0.00 55.95 56.54 1b8a s SER 232 Cb -0.11 0.36 0.04 0.00 -1.71 0.00 0.00 66.02 64.59 1b8a s SER 232 CO 0.11 -0.61 0.36 -0.70 1.20 0.00 0.00 173.24 173.60 1b8a s GLU 233 N -2.52 0.42 -0.01 5.44 2.56 -0.87 -1.77 118.70 121.94 1b8a s GLU 233 Ca -0.05 0.52 0.00 0.00 0.00 0.00 0.00 54.97 55.44 1b8a s GLU 233 Cb -0.01 0.19 0.00 0.00 2.00 0.00 0.00 34.13 36.31 1b8a s GLU 233 CO -0.03 -0.06 -0.01 0.00 -0.56 0.00 0.00 175.26 174.60 1b8a s MET 234 N 0.28 0.10 0.37 4.30 0.23 0.89 -1.67 119.30 123.81 1b8a s MET 234 Ca -0.01 -0.01 0.07 0.00 -1.03 0.00 0.00 55.69 54.72 1b8a s MET 234 Cb -0.03 -0.14 -0.00 0.00 -1.53 0.00 0.00 34.83 33.13 1b8a s MET 234 CO -0.00 -0.01 0.51 0.00 -2.03 0.00 0.00 175.02 173.48 1b8a s ALA 235 N 0.17 4.35 -1.45 3.16 0.00 0.18 -1.53 121.76 126.64 1b8a s ALA 235 Ca -0.01 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.39 1b8a s ALA 235 Cb -0.03 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.45 1b8a s ALA 235 CO -0.00 -0.13 0.00 1.19 0.00 0.00 0.00 175.76 176.81 1b8a n PHE 236 N -1.72 -0.50 -2.44 0.00 3.72 0.29 -4.96 117.46 111.85 1b8a n PHE 236 Ca 0.03 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.14 1b8a n PHE 236 Cb 0.59 -3.08 -0.01 0.00 -0.94 0.00 0.00 39.48 36.04 1b8a n PHE 236 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1b8a s ILE 237 N -2.72 4.78 -0.36 4.37 -4.36 -1.25 -5.01 121.20 116.66 1b8a s ILE 237 Ca 0.00 0.61 0.19 0.00 -0.26 0.00 0.00 60.65 61.19 1b8a s ILE 237 Cb 0.00 -3.82 -0.26 0.00 1.25 0.00 0.00 42.46 39.63 1b8a s ILE 237 CO 0.00 -0.84 0.56 -0.62 0.24 0.00 0.00 174.94 174.28 1b8a n GLU 238 N -2.09 0.70 -3.72 0.37 1.02 -1.26 -4.73 120.64 110.93 1b8a n GLU 238 Ca 0.03 -0.11 -0.02 0.00 -0.02 0.00 0.00 57.16 57.05 1b8a n GLU 238 Cb 0.54 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 30.53 1b8a n GLU 238 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1b8a s ASP 239 N -3.63 -0.14 0.36 1.62 1.47 -1.26 -5.04 116.67 110.05 1b8a s ASP 239 Ca -0.01 -0.33 0.27 0.00 1.18 0.00 0.00 52.55 53.65 1b8a s ASP 239 Cb 0.13 0.40 1.11 0.00 -0.34 0.00 0.00 42.92 44.21 1b8a s ASP 239 CO 0.78 -0.73 1.81 1.05 0.68 0.00 0.00 175.17 178.75 1b8a h GLU 240 N 2.00 0.00 0.00 2.11 9.09 -1.94 -2.65 114.58 123.19 1b8a h GLU 240 Ca -0.26 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.11 1b8a h GLU 240 Cb 1.22 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.32 1b8a h GLU 240 CO 0.26 0.00 -0.21 1.49 0.05 0.00 0.00 179.01 180.60 1b8a h GLU 241 N 0.00 0.00 -0.02 1.06 4.57 -1.96 -0.88 114.58 117.35 1b8a h GLU 241 Ca 0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 1b8a h GLU 241 Cb 0.42 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1b8a h GLU 241 CO 0.00 0.21 -0.39 0.93 -1.18 0.00 0.00 179.01 178.58 1b8a h GLU 242 N 0.00 0.04 0.02 1.92 5.08 -1.90 0.77 114.58 120.52 1b8a h GLU 242 Ca -0.00 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.12 1b8a h GLU 242 Cb 0.39 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.66 1b8a h GLU 242 CO 0.03 0.43 -0.88 0.28 -1.00 0.00 0.00 179.01 177.87 1b8a h VAL 243 N 0.04 1.35 -0.80 3.13 2.07 -1.43 -2.72 116.25 117.89 1b8a h VAL 243 Ca 0.00 -2.22 -0.04 0.00 0.82 0.00 0.00 66.70 65.27 1b8a h VAL 243 Cb 0.71 2.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.99 1b8a h VAL 243 CO 0.05 0.67 0.35 0.24 0.02 0.00 0.00 177.57 178.90 1b8a h MET 244 N 0.15 1.17 -0.92 1.57 2.86 -0.96 0.07 114.93 118.87 1b8a h MET 244 Ca -0.12 -0.19 0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1b8a h MET 244 Cb 1.57 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 32.98 1b8a h MET 244 CO 0.17 0.92 0.60 1.03 1.06 0.00 0.00 176.91 180.69 1b8a h SER 245 N 1.14 1.07 -0.16 1.22 0.87 -0.87 -0.08 113.55 116.74 1b8a h SER 245 Ca 0.27 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 1b8a h SER 245 Cb 0.17 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1b8a h SER 245 CO -0.03 0.79 -0.09 0.15 -0.53 0.00 0.00 176.83 177.12 1b8a h PHE 246 N 1.25 0.39 -0.35 2.24 3.57 -1.12 -2.59 116.94 120.33 1b8a h PHE 246 Ca 0.34 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.75 1b8a h PHE 246 Cb -0.12 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1b8a h PHE 246 CO -0.00 0.67 0.20 1.25 -2.23 0.00 0.00 178.31 178.19 1b8a h LEU 247 N 0.00 0.33 -0.98 0.59 5.85 -0.73 -0.51 115.31 119.86 1b8a h LEU 247 Ca 0.03 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1b8a h LEU 247 Cb 0.57 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1b8a h LEU 247 CO 0.03 0.24 0.21 1.05 -0.34 0.00 0.00 178.44 179.62 1b8a h GLU 248 N 0.42 0.95 -0.52 1.25 4.11 -1.01 -1.01 114.58 118.77 1b8a h GLU 248 Ca 0.14 -0.18 -0.06 0.00 0.07 0.00 0.00 59.36 59.34 1b8a h GLU 248 Cb 0.01 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1b8a h GLU 248 CO -0.07 0.81 0.10 0.00 0.07 0.00 0.00 179.01 179.91 1b8a h ARG 249 N 0.92 0.81 -0.09 1.06 3.08 -1.04 0.38 114.38 119.51 1b8a h ARG 249 Ca 0.21 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1b8a h ARG 249 Cb 0.24 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1b8a h ARG 249 CO -0.01 0.75 0.03 1.25 -1.07 0.00 0.00 179.97 180.92 1b8a h LEU 250 N 0.77 0.12 -0.46 3.04 5.85 -0.47 0.14 115.31 124.30 1b8a h LEU 250 Ca 0.17 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1b8a h LEU 250 Cb 0.33 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1b8a h LEU 250 CO 0.00 0.26 0.03 0.58 -0.34 0.00 0.00 178.44 178.97 1b8a h VAL 251 N -0.02 1.26 -0.95 1.05 2.07 -1.03 -1.55 116.25 117.07 1b8a h VAL 251 Ca 0.03 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.58 1b8a h VAL 251 Cb 0.18 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1b8a h VAL 251 CO -0.00 0.35 0.62 0.00 0.02 0.00 0.00 177.57 178.56 1b8a h ALA 252 N 0.93 1.26 -0.67 1.67 0.00 -0.78 -0.20 119.26 121.47 1b8a h ALA 252 Ca 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1b8a h ALA 252 Cb 0.46 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1b8a h ALA 252 CO 0.02 0.49 0.24 1.25 0.00 0.00 0.00 179.25 181.26 1b8a h HIS 253 N 1.20 1.04 -0.34 0.00 6.17 -0.49 -0.28 115.15 122.44 1b8a h HIS 253 Ca 0.38 -0.09 -0.03 0.00 0.71 0.00 0.00 60.37 61.34 1b8a h HIS 253 Cb 0.01 -0.31 -0.01 0.00 2.52 0.00 0.00 27.41 29.61 1b8a h HIS 253 CO -0.01 0.82 0.08 0.00 0.71 0.00 0.00 177.93 179.54 1b8a h ALA 254 N 1.10 0.45 -0.23 5.26 0.00 -0.56 -0.45 119.26 124.82 1b8a h ALA 254 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1b8a h ALA 254 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1b8a h ALA 254 CO -0.01 0.12 0.15 0.82 0.00 0.00 0.00 179.25 180.32 1b8a h ILE 255 N 0.40 1.06 0.00 0.00 2.04 -0.80 -1.81 117.51 118.40 1b8a h ILE 255 Ca 0.11 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 1b8a h ILE 255 Cb 0.30 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1b8a h ILE 255 CO 0.00 0.06 -0.31 0.78 0.00 0.00 0.00 178.15 178.68 1b8a h ASN 256 N 0.31 0.00 -0.35 1.72 -0.26 -0.92 -0.84 115.58 115.24 1b8a h ASN 256 Ca 0.08 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.76 1b8a h ASN 256 Cb -0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1b8a h ASN 256 CO -0.02 0.31 -0.04 0.22 -1.06 0.00 0.00 177.43 176.84 1b8a h TYR 257 N 0.00 0.71 -0.60 1.19 3.20 -0.67 -1.17 116.97 119.62 1b8a h TYR 257 Ca -0.00 -0.14 -0.05 0.00 3.14 0.00 0.00 58.73 61.68 1b8a h TYR 257 Cb 0.56 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1b8a h TYR 257 CO 0.00 0.77 0.19 0.28 -1.64 0.00 0.00 178.16 177.76 1b8a h VAL 258 N 0.44 1.24 -0.68 1.81 2.07 -0.57 0.12 116.25 120.68 1b8a h VAL 258 Ca 0.09 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1b8a h VAL 258 Cb 0.52 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1b8a h VAL 258 CO 0.03 0.31 0.36 0.03 0.02 0.00 0.00 177.57 178.31 1b8a h ARG 259 N 0.85 0.95 0.13 1.57 3.08 -1.04 0.12 114.38 120.04 1b8a h ARG 259 Ca 0.19 -0.11 -0.31 0.00 0.07 0.00 0.00 59.98 59.83 1b8a h ARG 259 Cb 0.28 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1b8a h ARG 259 CO -0.01 0.71 -1.49 1.49 -1.07 0.00 0.00 179.97 179.60 1b8a h GLU 260 N 0.95 0.28 0.00 0.04 4.81 -0.90 -3.34 114.58 116.42 1b8a h GLU 260 Ca 0.24 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1b8a h GLU 260 Cb 0.05 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1b8a h GLU 260 CO -0.04 1.16 -0.81 0.72 -0.73 0.00 0.00 179.01 179.32 1b8a n HIS 261 N -3.49 0.00 -1.90 0.92 8.25 0.40 -4.56 115.22 114.85 1b8a n HIS 261 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1b8a n HIS 261 Cb 1.05 -0.04 0.14 0.00 1.12 0.00 0.00 29.99 32.25 1b8a n HIS 261 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1b8a n ASN 262 N -1.43 2.11 -0.29 0.41 3.02 0.03 -4.79 115.26 114.32 1b8a n ASN 262 Ca 0.02 -3.43 0.04 0.00 -0.03 0.00 0.00 54.58 51.18 1b8a n ASN 262 Cb 0.25 -0.45 0.19 0.00 -0.61 0.00 0.00 39.78 39.15 1b8a n ASN 262 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b8a h ALA 263 N 1.28 1.21 -0.90 5.41 0.00 -1.68 -0.07 119.26 124.51 1b8a h ALA 263 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1b8a h ALA 263 Cb 1.27 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1b8a h ALA 263 CO 0.15 0.05 0.58 -0.22 0.00 0.00 0.00 179.25 179.81 1b8a h LYS 264 N 0.75 1.19 -0.43 0.00 3.64 -1.93 -0.38 116.57 119.42 1b8a h LYS 264 Ca 0.42 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 59.57 1b8a h LYS 264 Cb 0.45 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1b8a h LYS 264 CO -0.28 0.80 -0.32 0.93 -2.27 0.00 0.00 179.45 178.32 1b8a h GLU 265 N 1.22 0.97 -0.76 1.90 3.07 -1.57 -1.56 114.58 117.85 1b8a h GLU 265 Ca 0.33 -0.47 -0.02 0.00 -0.50 0.00 0.00 59.36 58.70 1b8a h GLU 265 Cb -0.11 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.76 1b8a h GLU 265 CO -0.07 1.14 0.41 -0.07 -1.40 0.00 0.00 179.01 179.02 1b8a h LEU 266 N 0.80 0.95 -0.38 1.33 4.07 -0.79 -0.88 115.31 120.41 1b8a h LEU 266 Ca 0.08 -0.10 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 1b8a h LEU 266 Cb 0.91 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.39 1b8a h LEU 266 CO 0.08 0.78 0.16 0.44 -1.08 0.00 0.00 178.44 178.83 1b8a h ASP 267 N 1.05 0.51 -0.69 -0.43 3.32 -0.90 -0.74 116.42 118.54 1b8a h ASP 267 Ca 0.26 -0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.23 1b8a h ASP 267 Cb 0.05 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1b8a h ASP 267 CO -0.04 0.53 0.45 0.40 -1.72 0.00 0.00 179.24 178.86 1b8a h ILE 268 N 0.47 0.98 -0.04 0.35 2.04 -0.88 0.14 117.51 120.58 1b8a h ILE 268 Ca 0.13 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1b8a h ILE 268 Cb 0.17 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1b8a h ILE 268 CO -0.01 0.12 0.00 0.18 0.00 0.00 0.00 178.15 178.44 1b8a n LEU 269 N -4.48 0.73 -4.04 1.44 4.77 -0.37 -4.83 117.00 110.21 1b8a n LEU 269 Ca 0.10 -0.27 -0.30 0.00 -0.03 0.00 0.00 56.01 55.51 1b8a n LEU 269 Cb 0.27 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1b8a n LEU 269 CO 0.34 0.13 -0.09 0.59 -1.33 0.00 0.00 177.39 177.03 1b8a n ASN 270 N -0.38 -2.24 -4.20 -1.43 3.02 0.49 -4.95 115.26 105.57 1b8a n ASN 270 Ca 0.19 -0.96 -0.28 0.00 -0.03 0.00 0.00 54.58 53.49 1b8a n ASN 270 Cb 0.21 -3.12 -0.16 0.00 -0.61 0.00 0.00 39.78 36.10 1b8a n ASN 270 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1b8a s PHE 271 N -3.58 1.98 -0.35 3.10 5.36 -0.40 -5.03 117.98 119.05 1b8a s PHE 271 Ca 0.40 -0.52 -0.11 0.00 -0.96 0.00 0.00 56.93 55.74 1b8a s PHE 271 Cb -0.21 -1.30 0.01 0.00 -0.34 0.00 0.00 43.02 41.18 1b8a s PHE 271 CO 0.89 -0.14 0.19 -2.00 -1.46 0.00 0.00 175.22 172.70 1b8a s GLU 272 N -0.17 3.05 -0.31 10.12 2.12 -1.26 -4.49 118.70 127.76 1b8a s GLU 272 Ca -0.00 -0.93 -0.16 0.00 0.36 0.00 0.00 54.97 54.24 1b8a s GLU 272 Cb -0.11 -3.69 -0.02 0.00 0.26 0.00 0.00 34.13 30.56 1b8a s GLU 272 CO 0.02 -0.59 0.42 -1.17 -0.54 0.00 0.00 175.26 173.40 1b8a s LEU 273 N 1.59 4.21 0.56 2.70 2.96 -1.26 -5.05 118.68 124.39 1b8a s LEU 273 Ca 0.03 0.12 -0.20 0.00 -0.22 0.00 0.00 54.13 53.86 1b8a s LEU 273 Cb -0.18 -2.47 -0.05 0.00 0.50 0.00 0.00 46.19 43.99 1b8a s LEU 273 CO 0.07 -0.31 1.20 -1.61 -1.32 0.00 0.00 176.35 174.38 1b8a s GLU 274 N 2.17 3.15 0.04 1.98 8.01 -1.26 -4.96 118.70 127.83 1b8a s GLU 274 Ca 0.16 1.81 -0.30 0.00 0.01 0.00 0.00 54.97 56.65 1b8a s GLU 274 Cb -0.16 -2.03 -0.05 0.00 -4.31 0.00 0.00 34.13 27.58 1b8a s GLU 274 CO 0.11 -1.06 1.24 -2.00 0.01 0.00 0.00 175.26 173.56 1b8a s GLU 275 N -3.21 4.39 0.41 1.61 2.12 -1.26 -4.93 118.70 117.84 1b8a s GLU 275 Ca 0.74 1.80 -0.26 0.00 0.36 0.00 0.00 54.97 57.62 1b8a s GLU 275 Cb -0.30 -3.39 -0.09 0.00 0.26 0.00 0.00 34.13 30.61 1b8a s GLU 275 CO 0.33 -0.34 1.39 -2.14 -0.54 0.00 0.00 175.26 173.96 1b8a s PRO 276 N 1.37 3.91 -0.27 4.30 0.02 -1.26 -5.01 135.00 138.06 1b8a s PRO 276 Ca 0.59 2.34 0.02 0.00 0.02 0.00 0.00 61.00 63.97 1b8a s PRO 276 Cb -0.30 -2.78 0.06 0.00 0.02 0.00 0.00 34.50 31.51 1b8a s PRO 276 CO 0.28 -0.61 -0.08 0.15 -0.33 0.00 0.00 177.00 176.41 1b8a s LYS 277 N -2.27 2.24 0.02 5.54 3.01 -1.26 -5.11 119.74 121.91 1b8a s LYS 277 Ca 0.57 -1.36 -0.01 0.00 -1.01 0.00 0.00 55.97 54.16 1b8a s LYS 277 Cb -0.42 -2.97 -0.04 0.00 -1.01 0.00 0.00 37.83 33.39 1b8a s LYS 277 CO 0.55 -0.60 0.16 -0.51 0.51 0.00 0.00 175.35 175.46 1b8a s LEU 278 N 1.12 4.24 0.50 3.17 1.43 -1.26 -3.85 118.68 124.03 1b8a s LEU 278 Ca -0.07 0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 53.13 1b8a s LEU 278 Cb -0.20 -2.64 -0.08 0.00 0.03 0.00 0.00 46.19 43.31 1b8a s LEU 278 CO -0.04 0.23 0.96 -2.16 0.23 0.00 0.00 176.35 175.57 1b8a s PRO 279 N -2.09 3.95 0.65 1.29 0.04 -1.26 -5.14 135.00 132.44 1b8a s PRO 279 Ca 0.29 0.91 -0.15 0.00 0.04 0.00 0.00 61.00 62.09 1b8a s PRO 279 Cb -0.13 -2.17 -0.01 0.00 0.04 0.00 0.00 34.50 32.24 1b8a s PRO 279 CO 0.21 -0.23 1.09 -0.06 0.04 0.00 0.00 177.00 178.05 1b8a s PHE 280 N -2.56 2.78 0.45 0.56 0.08 -1.25 -4.97 117.98 113.07 1b8a s PHE 280 Ca 0.58 1.53 -0.25 0.00 0.12 0.00 0.00 56.93 58.91 1b8a s PHE 280 Cb -0.10 -3.08 -0.08 0.00 -0.57 0.00 0.00 43.02 39.19 1b8a s PHE 280 CO 0.30 -1.47 1.33 -2.14 -0.10 0.00 0.00 175.22 173.14 1b8a s PRO 281 N -4.23 3.69 -0.23 0.24 0.02 -1.26 -4.81 135.00 128.42 1b8a s PRO 281 Ca 0.65 2.20 -0.05 0.00 0.02 0.00 0.00 61.00 63.82 1b8a s PRO 281 Cb -0.18 -2.58 -0.02 0.00 0.02 0.00 0.00 34.50 31.74 1b8a s PRO 281 CO 0.42 -0.74 0.00 1.03 -0.33 0.00 0.00 177.00 177.38 1b8a s ARG 282 N -2.50 3.51 -0.17 5.54 1.81 -1.26 -0.89 118.95 124.99 1b8a s ARG 282 Ca 0.62 -0.56 0.01 0.00 -1.72 0.00 0.00 55.73 54.08 1b8a s ARG 282 Cb -0.39 -3.13 0.02 0.00 -0.45 0.00 0.00 34.95 31.00 1b8a s ARG 282 CO 0.49 -0.16 -0.18 0.08 -0.68 0.00 0.00 175.30 174.85 1b8a s VAL 283 N 1.45 1.90 0.65 3.52 1.01 0.11 -4.96 120.40 124.07 1b8a s VAL 283 Ca 0.05 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 1b8a s VAL 283 Cb -0.15 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 1b8a s VAL 283 CO -0.00 0.51 1.11 -0.94 0.00 0.00 0.00 175.10 175.78 1b8a s SER 284 N 1.36 5.19 0.26 3.32 1.04 -1.26 -1.54 113.70 122.06 1b8a s SER 284 Ca 0.05 1.98 -0.03 0.00 0.48 0.00 0.00 55.95 58.44 1b8a s SER 284 Cb -0.13 -2.55 0.44 0.00 0.10 0.00 0.00 66.02 63.88 1b8a s SER 284 CO -0.12 -1.57 1.82 0.22 0.98 0.00 0.00 173.24 174.56 1b8a h TYR 285 N 0.09 0.94 -0.41 5.02 3.20 -0.90 0.10 116.97 125.02 1b8a h TYR 285 Ca -0.47 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.45 1b8a h TYR 285 Cb 1.24 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.20 1b8a h TYR 285 CO 0.55 0.38 0.23 -0.44 -1.64 0.00 0.00 178.16 177.24 1b8a h ASP 286 N 0.85 0.37 -0.59 -2.11 5.19 -1.84 -0.82 116.42 117.47 1b8a h ASP 286 Ca 0.43 0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.77 1b8a h ASP 286 Cb 0.40 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.82 1b8a h ASP 286 CO -0.26 0.27 0.09 0.50 -3.12 0.00 0.00 179.24 176.72 1b8a h LYS 287 N 0.47 1.01 -0.71 3.56 1.63 -1.69 -1.57 116.57 119.28 1b8a h LYS 287 Ca 0.16 -0.26 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 1b8a h LYS 287 Cb 0.02 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.50 1b8a h LYS 287 CO -0.08 0.94 0.34 0.00 -3.45 0.00 0.00 179.45 177.20 1b8a h ALA 288 N 1.14 0.91 -0.18 5.00 0.00 -0.40 -0.03 119.26 125.70 1b8a h ALA 288 Ca 0.19 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1b8a h ALA 288 Cb 0.43 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1b8a h ALA 288 CO 0.01 0.47 -0.14 -0.07 0.00 0.00 0.00 179.25 179.52 1b8a h LEU 289 N 0.99 0.28 -0.24 0.00 4.07 -0.82 0.23 115.31 119.83 1b8a h LEU 289 Ca 0.24 -0.06 -0.08 0.00 0.08 0.00 0.00 57.88 58.06 1b8a h LEU 289 Cb 0.11 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1b8a h LEU 289 CO -0.03 0.45 -0.16 -0.08 -1.08 0.00 0.00 178.44 177.55 1b8a h GLU 290 N 0.28 0.52 -0.37 1.13 4.81 -0.51 0.25 114.58 120.70 1b8a h GLU 290 Ca 0.05 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1b8a h GLU 290 Cb 0.42 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1b8a h GLU 290 CO 0.03 0.81 0.19 0.82 -0.73 0.00 0.00 179.01 180.13 1b8a h ILE 291 N 0.23 1.16 -0.55 2.32 2.04 -0.75 0.11 117.51 122.06 1b8a h ILE 291 Ca 0.05 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 1b8a h ILE 291 Cb 0.68 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1b8a h ILE 291 CO 0.04 0.16 0.09 -0.07 0.00 0.00 0.00 178.15 178.38 1b8a h LEU 292 N 0.46 0.87 -0.97 1.44 3.38 -0.89 -2.48 115.31 117.12 1b8a h LEU 292 Ca 0.13 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1b8a h LEU 292 Cb 0.09 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1b8a h LEU 292 CO -0.02 0.91 0.32 1.23 0.09 0.00 0.00 178.44 180.97 1b8a h GLY 293 N 0.80 1.14 2.00 0.83 0.00 -0.14 0.23 103.07 107.93 1b8a h GLY 293 Ca 0.17 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1b8a h GLY 293 CO 0.01 0.55 -0.07 -1.80 0.00 0.00 0.00 176.54 175.22 1b8a h ASP 294 N 1.05 0.00 -0.05 0.19 3.58 -0.53 0.23 116.42 120.88 1b8a h ASP 294 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1b8a h ASP 294 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1b8a h ASP 294 CO -0.03 0.07 0.00 0.18 -2.88 0.00 0.00 179.24 176.59 1b8a n LEU 295 N -4.03 1.89 0.00 2.28 4.77 -0.55 -4.94 117.00 116.43 1b8a n LEU 295 Ca -0.03 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1b8a n LEU 295 Cb 0.16 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1b8a n LEU 295 CO 0.31 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1b8a n GLY 296 N 1.22 0.72 3.38 -0.72 0.00 0.07 -5.03 105.19 104.83 1b8a n GLY 296 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1b8a n GLY 296 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b8a s LYS 297 N -0.43 2.83 -0.25 1.61 2.47 0.69 -4.97 119.74 121.69 1b8a s LYS 297 Ca 0.00 -1.08 -0.14 0.00 -1.56 0.00 0.00 55.97 53.19 1b8a s LYS 297 Cb 0.00 -3.74 -0.04 0.00 -1.46 0.00 0.00 37.83 32.59 1b8a s LYS 297 CO 0.00 -0.70 0.33 -1.21 0.16 0.00 0.00 175.35 173.93 1b8a s GLU 298 N 1.56 4.07 -0.21 4.03 0.41 -1.26 -2.56 118.70 124.74 1b8a s GLU 298 Ca 0.02 0.01 0.01 0.00 -0.41 0.00 0.00 54.97 54.61 1b8a s GLU 298 Cb -0.19 -3.60 0.04 0.00 -1.78 0.00 0.00 34.13 28.60 1b8a s GLU 298 CO 0.07 -0.15 -0.13 0.42 -0.49 0.00 0.00 175.26 174.98 1b8a s ILE 299 N 1.66 1.88 0.16 -1.63 1.01 -1.26 -5.09 121.20 117.92 1b8a s ILE 299 Ca 0.14 -1.13 -0.32 0.00 0.00 0.00 0.00 60.65 59.34 1b8a s ILE 299 Cb -0.15 -1.88 -0.12 0.00 0.01 0.00 0.00 42.46 40.32 1b8a s ILE 299 CO 0.09 0.23 1.76 -2.65 0.00 0.00 0.00 174.94 174.36 1b8a n PRO 300 N 4.61 2.69 -1.64 2.79 -0.02 -1.26 -4.85 135.00 137.32 1b8a n PRO 300 Ca -0.16 0.97 -0.48 0.00 -2.02 0.00 0.00 63.50 61.82 1b8a n PRO 300 Cb 0.46 -2.83 -0.04 0.00 -0.02 0.00 0.00 33.50 31.07 1b8a n PRO 300 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1b8a n TRP 301 N 4.72 1.94 0.00 6.00 -0.00 -1.26 -1.49 117.44 127.36 1b8a n TRP 301 Ca 0.17 0.45 0.00 0.00 -0.00 0.00 0.00 57.50 58.12 1b8a n TRP 301 Cb 0.35 -2.44 0.00 0.00 -0.00 0.00 0.00 31.31 29.22 1b8a n TRP 301 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1b8a n GLY 302 N 2.75 2.33 3.88 5.87 0.00 -1.26 -5.07 105.19 113.69 1b8a n GLY 302 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1b8a n GLY 302 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b8a s GLU 303 N -0.25 3.77 0.70 1.61 2.02 -0.55 -4.50 118.70 121.50 1b8a s GLU 303 Ca 0.00 0.38 -0.11 0.00 0.02 0.00 0.00 54.97 55.26 1b8a s GLU 303 Cb 0.00 -2.46 0.01 0.00 0.10 0.00 0.00 34.13 31.78 1b8a s GLU 303 CO 0.00 0.06 1.06 -0.51 0.02 0.00 0.00 175.26 175.89 1b8a s ASP 304 N -3.03 5.29 -0.04 -0.19 1.11 -1.26 -4.91 116.67 113.64 1b8a s ASP 304 Ca 0.50 1.65 -0.30 0.00 0.18 0.00 0.00 52.55 54.58 1b8a s ASP 304 Cb -0.10 -2.50 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 1b8a s ASP 304 CO 0.29 -1.51 1.11 -0.63 1.18 0.00 0.00 175.17 175.61 1b8a s ILE 305 N -3.00 4.47 0.98 0.77 1.01 -1.26 -5.01 121.20 119.16 1b8a s ILE 305 Ca 0.59 1.77 -0.16 0.00 0.00 0.00 0.00 60.65 62.85 1b8a s ILE 305 Cb -0.14 -4.14 0.22 0.00 0.01 0.00 0.00 42.46 38.41 1b8a s ILE 305 CO 0.54 0.05 1.33 -0.90 0.00 0.00 0.00 174.94 175.96 1b8a n ASP 306 N 4.72 0.13 -0.30 3.58 5.68 -1.26 -4.75 116.55 124.36 1b8a n ASP 306 Ca 0.09 -1.50 0.02 0.00 -0.50 0.00 0.00 54.79 52.90 1b8a n ASP 306 Cb 0.48 -1.01 0.15 0.00 -1.14 0.00 0.00 41.12 39.60 1b8a n ASP 306 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1b8a h THR 307 N -1.75 0.97 -0.39 2.12 2.02 -1.98 0.43 112.91 114.32 1b8a h THR 307 Ca -0.43 -0.30 -0.12 0.00 0.77 0.00 0.00 66.41 66.33 1b8a h THR 307 Cb 1.19 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1b8a h THR 307 CO 0.31 0.16 -0.24 -0.08 0.37 0.00 0.00 175.52 176.04 1b8a h GLU 308 N 0.87 0.86 -0.61 6.66 4.57 -1.97 -0.59 114.58 124.37 1b8a h GLU 308 Ca 0.38 -0.40 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 1b8a h GLU 308 Cb 0.27 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 1b8a h GLU 308 CO -0.21 1.04 0.33 0.78 -1.18 0.00 0.00 179.01 179.76 1b8a h GLY 309 N 0.67 0.87 1.02 1.92 0.00 -1.71 0.60 103.07 106.44 1b8a h GLY 309 Ca 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1b8a h GLY 309 CO 0.07 0.14 0.43 0.83 0.00 0.00 0.00 176.54 178.01 1b8a h GLU 310 N 0.62 1.12 -0.16 4.80 5.08 -0.69 -0.20 114.58 125.14 1b8a h GLU 310 Ca 0.27 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1b8a h GLU 310 Cb 0.16 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1b8a h GLU 310 CO -0.17 0.83 0.06 -0.09 -1.00 0.00 0.00 179.01 178.64 1b8a h ARG 311 N 1.11 0.25 -0.69 2.33 2.43 -0.23 0.44 114.38 120.03 1b8a h ARG 311 Ca 0.28 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1b8a h ARG 311 Cb 0.04 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1b8a h ARG 311 CO -0.04 0.35 0.39 -0.07 -1.51 0.00 0.00 179.97 179.09 1b8a h LEU 312 N 0.10 0.85 -0.64 3.80 3.38 -0.70 -1.40 115.31 120.69 1b8a h LEU 312 Ca 0.05 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1b8a h LEU 312 Cb 0.20 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1b8a h LEU 312 CO -0.00 0.68 0.15 -0.07 0.09 0.00 0.00 178.44 179.29 1b8a h LEU 313 N 0.94 0.97 -0.83 1.67 3.38 -0.83 -0.09 115.31 120.52 1b8a h LEU 313 Ca 0.24 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b8a h LEU 313 Cb 0.01 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1b8a h LEU 313 CO -0.04 0.95 0.50 1.23 0.09 0.00 0.00 178.44 181.18 1b8a h GLY 314 N 0.95 1.21 0.81 0.83 0.00 -0.41 0.21 103.07 106.66 1b8a h GLY 314 Ca 0.20 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1b8a h GLY 314 CO 0.00 0.49 0.02 1.70 0.00 0.00 0.00 176.54 178.75 1b8a h LYS 315 N 1.14 0.23 -0.65 4.80 3.64 -1.09 -1.98 116.57 122.66 1b8a h LYS 315 Ca 0.30 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 1b8a h LYS 315 Cb -0.05 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.70 1b8a h LYS 315 CO -0.06 0.42 0.37 -0.92 -2.27 0.00 0.00 179.45 177.00 1b8a h TYR 316 N 0.01 0.68 -0.08 1.91 3.20 -0.61 -0.84 116.97 121.24 1b8a h TYR 316 Ca 0.04 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 1b8a h TYR 316 Cb 0.31 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1b8a h TYR 316 CO 0.02 0.33 -0.17 0.52 -1.64 0.00 0.00 178.16 177.22 1b8a h MET 317 N 0.69 0.13 0.03 1.82 2.86 -0.33 0.13 114.93 120.26 1b8a h MET 317 Ca 0.29 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1b8a h MET 317 Cb 0.16 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1b8a h MET 317 CO -0.17 0.31 -0.02 0.52 1.06 0.00 0.00 176.91 178.61 1b8a h MET 318 N 0.12 -0.04 -0.17 1.72 2.86 -0.59 -1.42 114.93 117.41 1b8a h MET 318 Ca 0.02 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1b8a h MET 318 Cb 0.38 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 1b8a h MET 318 CO 0.03 0.46 -0.00 0.93 1.06 0.00 0.00 176.91 179.38 1b8a h GLU 319 N -0.57 0.05 -0.07 1.72 5.08 -0.79 0.26 114.58 120.26 1b8a h GLU 319 Ca -0.00 -0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.13 1b8a h GLU 319 Cb 0.52 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.78 1b8a h GLU 319 CO 0.01 0.03 -0.82 -0.97 -1.00 0.00 0.00 179.01 176.27 1b8a h ASN 320 N 0.05 0.84 0.00 1.42 -1.24 -0.85 -3.40 115.58 112.40 1b8a h ASN 320 Ca 0.08 -0.69 0.00 0.00 0.71 0.00 0.00 56.30 56.40 1b8a h ASN 320 Cb 0.10 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.89 1b8a h ASN 320 CO -0.13 1.41 -0.06 -0.62 -1.29 0.00 0.00 177.43 176.73 1b8a n GLU 321 N -3.98 1.13 -3.93 6.67 1.02 -0.57 -5.00 120.64 115.97 1b8a n GLU 321 Ca -0.09 -1.07 -0.28 0.00 -0.02 0.00 0.00 57.16 55.69 1b8a n GLU 321 Cb 0.77 -0.75 0.01 0.00 -0.02 0.00 0.00 31.44 31.44 1b8a n GLU 321 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1b8a n ASN 322 N -0.29 -2.66 -4.11 1.62 5.15 0.93 -4.93 115.26 110.97 1b8a n ASN 322 Ca 0.01 -0.88 -0.36 0.00 -0.60 0.00 0.00 54.58 52.75 1b8a n ASN 322 Cb 0.45 -3.54 -0.11 0.00 -0.53 0.00 0.00 39.78 36.05 1b8a n ASN 322 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b8a s ALA 323 N -3.54 3.21 -0.38 5.20 0.00 -0.97 -4.93 121.76 120.35 1b8a s ALA 323 Ca 0.37 -2.65 0.26 0.00 0.00 0.00 0.00 51.96 49.95 1b8a s ALA 323 Cb -0.19 -2.44 1.00 0.00 0.00 0.00 0.00 23.12 21.49 1b8a s ALA 323 CO 0.86 -1.85 1.78 -1.00 0.00 0.00 0.00 175.76 175.55 1b8a h PRO 324 N 7.88 0.00 -5.29 0.00 0.13 -1.91 -3.34 132.00 129.47 1b8a h PRO 324 Ca -0.11 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.41 1b8a h PRO 324 Cb 1.03 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.84 1b8a h PRO 324 CO 0.70 0.00 -0.85 -0.51 -0.23 0.00 0.00 178.00 177.10 1b8a s LEU 325 N -5.03 1.94 0.15 1.56 1.43 -1.26 -0.62 118.68 116.85 1b8a s LEU 325 Ca 0.05 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 52.49 1b8a s LEU 325 Cb 0.09 -1.14 0.07 0.00 0.03 0.00 0.00 46.19 45.24 1b8a s LEU 325 CO 0.49 0.15 0.62 -0.72 0.23 0.00 0.00 176.35 177.11 1b8a s TYR 326 N 0.22 -0.52 -0.03 0.29 1.13 -0.82 -4.14 117.35 113.48 1b8a s TYR 326 Ca -0.10 0.31 -0.03 0.00 -1.41 0.00 0.00 57.07 55.84 1b8a s TYR 326 Cb -0.15 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.24 1b8a s TYR 326 CO 0.05 -0.85 0.14 -0.06 -2.51 0.00 0.00 175.55 172.32 1b8a s PHE 327 N -3.72 3.46 -0.14 -3.49 0.08 -0.07 -0.65 117.98 113.45 1b8a s PHE 327 Ca 0.02 0.33 -0.02 0.00 0.12 0.00 0.00 56.93 57.37 1b8a s PHE 327 Cb -0.01 -1.81 -0.02 0.00 -0.57 0.00 0.00 43.02 40.60 1b8a s PHE 327 CO -0.12 0.62 -0.07 -0.51 -0.10 0.00 0.00 175.22 175.04 1b8a s LEU 328 N -1.71 3.06 0.00 -0.37 1.43 -0.35 0.08 118.68 120.83 1b8a s LEU 328 Ca 0.24 -0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1b8a s LEU 328 Cb -0.12 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1b8a s LEU 328 CO 0.14 0.18 0.44 0.00 0.23 0.00 0.00 176.35 177.35 1b8a n TYR 329 N 3.46 -1.32 -3.67 0.29 4.11 -0.59 -0.97 117.16 118.47 1b8a n TYR 329 Ca -0.18 -2.34 -0.22 0.00 -0.00 0.00 0.00 57.90 55.16 1b8a n TYR 329 Cb 0.53 0.50 0.04 0.00 -0.00 0.00 0.00 39.34 40.41 1b8a n TYR 329 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1b8a n GLN 330 N -0.57 -5.44 -1.23 -3.48 6.02 -1.11 -0.42 117.38 111.14 1b8a n GLN 330 Ca 0.02 0.67 -0.30 0.00 -0.01 0.00 0.00 57.00 57.37 1b8a n GLN 330 Cb 0.57 -5.37 0.12 0.00 1.02 0.00 0.00 30.24 26.58 1b8a n GLN 330 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1b8a s TYR 331 N -3.55 2.44 0.31 1.08 1.51 -1.24 -4.13 117.35 113.77 1b8a s TYR 331 Ca 0.11 1.38 -0.29 0.00 -1.01 0.00 0.00 57.07 57.26 1b8a s TYR 331 Cb -0.05 -3.11 -0.10 0.00 -0.11 0.00 0.00 41.96 38.59 1b8a s TYR 331 CO 0.80 -2.13 1.23 -2.14 -1.11 0.00 0.00 175.55 172.19 1b8a s PRO 332 N -4.93 4.46 0.39 -1.71 0.02 -1.26 -0.88 135.00 131.10 1b8a s PRO 332 Ca 0.62 2.06 0.06 0.00 0.02 0.00 0.00 61.00 63.77 1b8a s PRO 332 Cb -0.18 -3.12 0.80 0.00 0.02 0.00 0.00 34.50 32.02 1b8a s PRO 332 CO 0.56 -0.04 2.02 0.77 -0.33 0.00 0.00 177.00 179.99 1b8a h SER 333 N 3.60 0.49 0.46 2.53 0.02 -0.99 -1.30 113.55 118.36 1b8a h SER 333 Ca -0.48 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.43 1b8a h SER 333 Cb 1.22 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 1b8a h SER 333 CO 0.66 0.39 -0.05 1.05 -1.14 0.00 0.00 176.83 177.74 1b8a h GLU 334 N 0.56 0.00 -0.01 3.45 4.11 -1.91 -2.67 114.58 118.11 1b8a h GLU 334 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 1b8a h GLU 334 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1b8a h GLU 334 CO -0.03 0.05 -0.19 0.00 0.07 0.00 0.00 179.01 178.92 1b8a n ALA 335 N -2.17 2.93 -2.45 1.06 0.00 -0.49 -4.94 120.51 114.45 1b8a n ALA 335 Ca -0.01 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 1b8a n ALA 335 Cb 0.21 -1.21 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 1b8a n ALA 335 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1b8a s LYS 336 N -2.47 1.60 0.88 0.00 -0.14 -1.01 -5.00 119.74 113.59 1b8a s LYS 336 Ca 0.27 -1.84 -0.12 0.00 -1.36 0.00 0.00 55.97 52.92 1b8a s LYS 336 Cb 0.20 -1.09 0.11 0.00 -1.68 0.00 0.00 37.83 35.37 1b8a s LYS 336 CO 0.50 -0.04 1.11 -2.30 -0.76 0.00 0.00 175.35 173.85 1b8a n PRO 337 N -0.64 -0.20 0.32 -1.68 -0.02 -1.26 -4.91 135.00 126.61 1b8a n PRO 337 Ca -0.04 0.01 0.21 0.00 -2.02 0.00 0.00 63.50 61.66 1b8a n PRO 337 Cb 0.65 -2.36 1.08 0.00 -0.02 0.00 0.00 33.50 32.85 1b8a n PRO 337 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1b8a h PHE 338 N -1.49 0.00 -0.15 6.00 -5.15 -1.93 -2.33 116.94 111.89 1b8a h PHE 338 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 1b8a h PHE 338 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.45 1b8a h PHE 338 CO 0.48 0.00 0.00 2.48 -2.00 0.00 0.00 178.31 179.27 1b8a n TYR 339 N -3.09 0.20 -3.33 6.09 0.18 -1.26 -4.69 117.16 111.25 1b8a n TYR 339 Ca -0.02 -0.10 -0.38 0.00 1.88 0.00 0.00 57.90 59.28 1b8a n TYR 339 Cb 0.13 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.03 1b8a n TYR 339 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1b8a s ILE 340 N -1.80 4.82 0.13 -3.48 -1.09 -0.88 -1.25 121.20 117.64 1b8a s ILE 340 Ca 0.29 1.11 -0.30 0.00 -2.23 0.00 0.00 60.65 59.52 1b8a s ILE 340 Cb 0.15 -3.85 -0.06 0.00 -1.58 0.00 0.00 42.46 37.13 1b8a s ILE 340 CO 0.23 0.55 1.01 -0.32 -1.23 0.00 0.00 174.94 175.18 1b8a s MET 341 N -1.13 4.67 0.56 2.79 -2.45 -0.58 -4.43 119.30 118.72 1b8a s MET 341 Ca 0.28 1.54 -0.06 0.00 -1.25 0.00 0.00 55.69 56.19 1b8a s MET 341 Cb -0.19 -3.34 -0.01 0.00 1.25 0.00 0.00 34.83 32.54 1b8a s MET 341 CO 0.18 0.17 0.88 0.15 1.05 0.00 0.00 175.02 177.45 1b8a s LYS 342 N -0.11 3.18 -0.22 4.11 1.02 -1.26 -0.39 119.74 126.07 1b8a s LYS 342 Ca 0.48 0.14 -0.29 0.00 0.02 0.00 0.00 55.97 56.31 1b8a s LYS 342 Cb -0.25 -2.28 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 1b8a s LYS 342 CO 0.31 -0.54 1.29 0.71 -0.92 0.00 0.00 175.35 176.20 1b8a s TYR 343 N -2.94 2.76 0.44 3.18 1.51 -0.04 -4.76 117.35 117.50 1b8a s TYR 343 Ca 0.52 0.94 0.11 0.00 -1.01 0.00 0.00 57.07 57.63 1b8a s TYR 343 Cb -0.10 -3.67 0.99 0.00 -0.11 0.00 0.00 41.96 39.07 1b8a s TYR 343 CO 0.46 -1.75 2.03 -0.44 -1.11 0.00 0.00 175.55 174.75 1b8a h ASP 344 N 8.68 0.37 0.52 2.29 3.32 -1.94 -0.72 116.42 128.94 1b8a h ASP 344 Ca -0.26 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1b8a h ASP 344 Cb 1.10 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1b8a h ASP 344 CO 0.99 0.25 -0.21 -0.46 -1.72 0.00 0.00 179.24 178.09 1b8a n ASN 345 N -4.48 0.45 -2.79 6.45 0.23 -1.26 -4.31 115.26 109.54 1b8a n ASN 345 Ca 0.06 -0.30 -0.08 0.00 -0.53 0.00 0.00 54.58 53.73 1b8a n ASN 345 Cb 0.21 -0.05 0.03 0.00 -2.08 0.00 0.00 39.78 37.90 1b8a n ASN 345 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1b8a n LYS 346 N -1.19 0.71 0.02 -3.83 4.81 -0.72 -5.04 118.16 112.92 1b8a n LYS 346 Ca 0.10 -1.92 0.22 0.00 -0.87 0.00 0.00 58.31 55.84 1b8a n LYS 346 Cb 0.31 -1.46 0.66 0.00 0.02 0.00 0.00 35.03 34.57 1b8a n LYS 346 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1b8a h PRO 347 N 4.26 0.00 0.00 1.64 0.11 -1.35 -1.24 132.00 135.42 1b8a h PRO 347 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1b8a h PRO 347 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1b8a h PRO 347 CO 0.26 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.20 1b8a n GLU 348 N -3.52 0.01 -4.51 1.05 0.00 -1.26 -4.60 120.64 107.81 1b8a n GLU 348 Ca 0.11 0.17 -0.30 0.00 0.00 0.00 0.00 57.16 57.14 1b8a n GLU 348 Cb 0.86 -1.52 -0.12 0.00 0.00 0.00 0.00 31.44 30.66 1b8a n GLU 348 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1b8a s ILE 349 N -3.02 2.74 0.24 3.84 -1.09 -0.47 -0.42 121.20 123.03 1b8a s ILE 349 Ca 0.09 -1.37 0.03 0.00 -2.23 0.00 0.00 60.65 57.18 1b8a s ILE 349 Cb 0.13 -2.20 -0.05 0.00 -1.58 0.00 0.00 42.46 38.76 1b8a s ILE 349 CO 0.37 0.22 0.01 0.00 -1.23 0.00 0.00 174.94 174.31 1b8a n ARG 351 N -0.44 1.95 -4.19 0.00 1.74 0.47 -3.63 116.66 112.56 1b8a n ARG 351 Ca -0.04 -1.37 -0.27 0.00 -0.77 0.00 0.00 57.85 55.40 1b8a n ARG 351 Cb 0.64 -1.84 -0.07 0.00 -1.02 0.00 0.00 32.46 30.17 1b8a n ARG 351 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b8a s ALA 352 N -0.46 3.25 0.14 7.54 0.00 -1.26 -1.37 121.76 129.60 1b8a s ALA 352 Ca 0.49 -1.33 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 1b8a s ALA 352 Cb 0.28 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 1b8a s ALA 352 CO -0.07 0.50 0.24 -0.59 0.00 0.00 0.00 175.76 175.84 1b8a s PHE 353 N -1.69 0.39 -0.01 0.00 -0.12 -0.03 -2.77 117.98 113.75 1b8a s PHE 353 Ca 0.28 -0.77 0.03 0.00 -0.05 0.00 0.00 56.93 56.42 1b8a s PHE 353 Cb -0.10 -0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.19 1b8a s PHE 353 CO 0.19 -0.66 -0.11 -0.51 -0.05 0.00 0.00 175.22 174.08 1b8a s ASP 354 N -2.95 1.28 -0.22 1.98 1.11 -0.15 -1.58 116.67 116.13 1b8a s ASP 354 Ca 0.15 -0.20 -0.09 0.00 0.18 0.00 0.00 52.55 52.60 1b8a s ASP 354 Cb 0.04 -0.17 -0.04 0.00 1.07 0.00 0.00 42.92 43.82 1b8a s ASP 354 CO -0.02 0.13 0.11 -0.22 1.18 0.00 0.00 175.17 176.34 1b8a s LEU 355 N -0.20 3.83 -0.15 1.23 2.96 0.23 -1.21 118.68 125.37 1b8a s LEU 355 Ca 0.03 0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 53.90 1b8a s LEU 355 Cb -0.05 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 1b8a s LEU 355 CO -0.00 0.07 0.03 -1.61 -1.32 0.00 0.00 176.35 173.52 1b8a s GLU 356 N 1.00 3.63 -0.18 1.98 0.41 0.18 -0.77 118.70 124.95 1b8a s GLU 356 Ca 0.05 -0.38 0.00 0.00 -0.41 0.00 0.00 54.97 54.23 1b8a s GLU 356 Cb -0.14 -3.04 0.04 0.00 -1.78 0.00 0.00 34.13 29.21 1b8a s GLU 356 CO 0.03 0.41 -0.08 -0.47 -0.49 0.00 0.00 175.26 174.66 1b8a s TYR 357 N -0.04 2.10 -1.43 1.61 6.14 0.24 -1.93 117.35 124.04 1b8a s TYR 357 Ca 0.05 -1.36 -0.08 0.00 0.64 0.00 0.00 57.07 56.32 1b8a s TYR 357 Cb -0.12 -1.50 0.05 0.00 0.42 0.00 0.00 41.96 40.80 1b8a s TYR 357 CO 0.01 -0.69 0.92 0.54 0.64 0.00 0.00 175.55 176.98 1b8a n ARG 358 N 4.77 -5.67 -1.09 4.97 1.74 0.20 -2.12 116.66 119.47 1b8a n ARG 358 Ca -0.14 0.64 -0.03 0.00 -0.77 0.00 0.00 57.85 57.55 1b8a n ARG 358 Cb 0.47 -5.45 -0.01 0.00 -1.02 0.00 0.00 32.46 26.45 1b8a n ARG 358 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b8a n GLY 359 N -1.67 0.59 3.03 -0.13 0.00 -1.26 -4.98 105.19 100.76 1b8a n GLY 359 Ca -0.08 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 1b8a n GLY 359 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b8a s VAL 360 N -1.92 1.00 0.22 1.61 1.01 -0.90 -3.96 120.40 117.46 1b8a s VAL 360 Ca 0.00 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.21 1b8a s VAL 360 Cb 0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 36.38 35.37 1b8a s VAL 360 CO 0.00 0.31 1.68 -0.70 0.00 0.00 0.00 175.10 176.39 1b8a s GLU 361 N 0.30 4.13 -0.00 2.72 2.12 -1.26 -0.59 118.70 126.11 1b8a s GLU 361 Ca -0.06 2.58 0.03 0.00 0.36 0.00 0.00 54.97 57.88 1b8a s GLU 361 Cb -0.11 -3.07 -0.05 0.00 0.26 0.00 0.00 34.13 31.16 1b8a s GLU 361 CO 0.02 -0.71 0.08 0.44 -0.54 0.00 0.00 175.26 174.55 1b8a n ILE 362 N 3.56 0.00 -3.55 -3.70 -5.35 0.05 -4.88 119.36 105.49 1b8a n ILE 362 Ca 0.14 -0.15 -0.15 0.00 -0.27 0.00 0.00 62.75 62.32 1b8a n ILE 362 Cb 0.36 0.55 -0.05 0.00 -1.74 0.00 0.00 39.64 38.76 1b8a n ILE 362 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1b8a s SER 363 N -2.14 -0.51 0.03 7.28 0.15 -1.17 -1.30 113.70 116.05 1b8a s SER 363 Ca -0.01 0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.97 1b8a s SER 363 Cb 0.02 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.82 1b8a s SER 363 CO 0.13 -0.71 -0.08 -0.44 1.20 0.00 0.00 173.24 173.35 1b8a s SER 364 N -1.82 0.87 0.00 5.45 0.01 -0.89 -0.60 113.70 116.73 1b8a s SER 364 Ca -0.06 -0.47 -0.00 0.00 1.31 0.00 0.00 55.95 56.72 1b8a s SER 364 Cb -0.01 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1b8a s SER 364 CO 0.01 -0.14 0.01 0.61 0.41 0.00 0.00 173.24 174.14 1b8a n GLY 365 N 1.73 1.15 0.00 3.44 0.00 -0.62 -0.45 105.19 110.45 1b8a n GLY 365 Ca -0.21 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1b8a n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8a n GLY 366 N -0.01 0.73 3.76 -0.02 0.00 -0.32 -0.85 105.19 108.48 1b8a n GLY 366 Ca -0.00 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 1b8a n GLY 366 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b8a s GLN 367 N -2.00 4.57 0.53 1.61 0.74 -0.47 -1.58 119.66 123.05 1b8a s GLN 367 Ca 0.00 1.16 -0.02 0.00 0.05 0.00 0.00 55.36 56.56 1b8a s GLN 367 Cb 0.00 -3.31 0.01 0.00 1.10 0.00 0.00 33.01 30.82 1b8a s GLN 367 CO 0.00 0.44 0.78 1.03 -0.55 0.00 0.00 175.29 177.00 1b8a s ARG 368 N -0.69 2.86 -0.63 1.67 1.81 0.55 -1.53 118.95 122.99 1b8a s ARG 368 Ca 0.38 -0.38 -0.22 0.00 -1.72 0.00 0.00 55.73 53.79 1b8a s ARG 368 Cb -0.22 -2.43 0.07 0.00 -0.45 0.00 0.00 34.95 31.92 1b8a s ARG 368 CO 0.26 -0.55 0.91 -2.00 -0.68 0.00 0.00 175.30 173.24 1b8a s GLU 369 N -4.78 3.12 0.00 3.54 2.56 -0.38 -4.28 118.70 118.49 1b8a s GLU 369 Ca 0.53 -0.84 0.26 0.00 0.00 0.00 0.00 54.97 54.92 1b8a s GLU 369 Cb -0.10 -4.21 0.74 0.00 2.00 0.00 0.00 34.13 32.56 1b8a s GLU 369 CO 0.41 -1.72 1.55 -2.39 -0.56 0.00 0.00 175.26 172.55 1b8a n HIS 370 N 7.44 0.00 -2.94 5.30 1.44 -1.26 -4.73 115.22 120.48 1b8a n HIS 370 Ca -0.04 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.24 1b8a n HIS 370 Cb 0.45 -0.12 -0.05 0.00 0.12 0.00 0.00 29.99 30.39 1b8a n HIS 370 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1b8a s ARG 371 N -2.51 3.56 0.19 -1.40 3.00 -1.26 -4.91 118.95 115.63 1b8a s ARG 371 Ca 0.24 0.11 -0.23 0.00 0.00 0.00 0.00 55.73 55.85 1b8a s ARG 371 Cb 0.19 -3.88 0.11 0.00 0.00 0.00 0.00 34.95 31.36 1b8a s ARG 371 CO 0.52 -1.03 1.56 1.25 0.00 0.00 0.00 175.30 177.61 1b8a h HIS 372 N 8.80 -1.24 -0.77 -0.53 -0.00 -1.87 -1.09 115.15 118.45 1b8a h HIS 372 Ca -0.25 0.09 -0.05 0.00 -0.00 0.00 0.00 60.37 60.17 1b8a h HIS 372 Cb 1.09 0.65 -0.03 0.00 -0.00 0.00 0.00 27.41 29.12 1b8a h HIS 372 CO 0.81 -0.40 0.27 -0.44 -0.00 0.00 0.00 177.93 178.16 1b8a h ASP 373 N -0.11 1.09 -0.40 3.26 3.32 -1.95 -1.15 116.42 120.48 1b8a h ASP 373 Ca 0.24 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1b8a h ASP 373 Cb 0.55 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1b8a h ASP 373 CO -0.82 0.99 -0.08 0.40 -1.72 0.00 0.00 179.24 178.01 1b8a h ILE 374 N 1.13 1.27 -0.58 0.35 2.04 -1.87 -2.54 117.51 117.31 1b8a h ILE 374 Ca 0.25 -1.15 0.07 0.00 1.00 0.00 0.00 64.86 65.03 1b8a h ILE 374 Cb 0.27 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 1b8a h ILE 374 CO -0.01 0.39 0.25 0.25 0.00 0.00 0.00 178.15 179.03 1b8a h LEU 375 N 0.58 0.31 -0.84 1.44 5.85 -0.82 -1.30 115.31 120.53 1b8a h LEU 375 Ca 0.10 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1b8a h LEU 375 Cb 0.59 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1b8a h LEU 375 CO 0.04 0.20 0.55 0.58 -0.34 0.00 0.00 178.44 179.46 1b8a h VAL 376 N 0.47 1.18 -0.16 1.05 2.07 -1.06 -1.22 116.25 118.57 1b8a h VAL 376 Ca 0.28 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 1b8a h VAL 376 Cb 0.27 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1b8a h VAL 376 CO -0.24 0.20 -0.20 -0.33 0.02 0.00 0.00 177.57 177.03 1b8a h GLU 377 N 1.10 0.28 -0.04 1.57 4.39 -0.94 -1.94 114.58 118.99 1b8a h GLU 377 Ca 0.32 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.78 1b8a h GLU 377 Cb -0.07 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1b8a h GLU 377 CO -0.09 0.47 -0.68 1.96 -1.16 0.00 0.00 179.01 179.51 1b8a h GLN 378 N 0.26 0.18 -0.38 2.33 4.20 -0.57 -0.11 115.11 121.03 1b8a h GLN 378 Ca 0.05 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1b8a h GLN 378 Cb 0.50 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1b8a h GLN 378 CO 0.03 0.79 0.18 0.82 -0.67 0.00 0.00 178.83 179.99 1b8a h ILE 379 N 0.13 1.17 -0.32 2.54 2.04 -0.82 -1.87 117.51 120.37 1b8a h ILE 379 Ca -0.02 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1b8a h ILE 379 Cb 1.21 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1b8a h ILE 379 CO 0.10 0.18 0.21 0.11 0.00 0.00 0.00 178.15 178.75 1b8a h LYS 380 N 0.47 0.43 -0.18 2.37 1.57 -1.07 -1.98 116.57 118.18 1b8a h LYS 380 Ca 0.13 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1b8a h LYS 380 Cb 0.12 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1b8a h LYS 380 CO -0.02 0.29 0.16 0.93 -0.57 0.00 0.00 179.45 180.24 1b8a h GLU 381 N 0.44 0.00 -0.27 3.15 5.08 -0.64 0.22 114.58 122.55 1b8a h GLU 381 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1b8a h GLU 381 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1b8a h GLU 381 CO -0.03 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.61 1b8a n LYS 382 N -4.09 1.61 -1.38 2.33 4.76 -0.74 -4.89 118.16 115.76 1b8a n LYS 382 Ca 0.01 -0.92 -0.08 0.00 -2.87 0.00 0.00 58.31 54.46 1b8a n LYS 382 Cb 0.29 -1.21 -0.03 0.00 -1.84 0.00 0.00 35.03 32.24 1b8a n LYS 382 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b8a n GLY 383 N 0.89 0.83 3.83 0.72 0.00 0.78 -5.03 105.19 107.21 1b8a n GLY 383 Ca 0.09 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 1b8a n GLY 383 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b8a s LEU 384 N -1.85 3.53 -0.38 0.99 1.43 -0.80 -5.03 118.68 116.57 1b8a s LEU 384 Ca 0.00 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.43 1b8a s LEU 384 Cb 0.00 -2.12 0.03 0.00 0.03 0.00 0.00 46.19 44.13 1b8a s LEU 384 CO 0.00 -0.35 0.22 0.21 0.23 0.00 0.00 176.35 176.65 1b8a s ASN 385 N -3.97 5.77 0.56 2.29 2.47 -1.26 -4.01 114.94 116.79 1b8a s ASN 385 Ca 0.40 -0.98 0.33 0.00 0.42 0.00 0.00 52.86 53.03 1b8a s ASN 385 Cb -0.05 -2.04 1.46 0.00 -1.45 0.00 0.00 41.25 39.18 1b8a s ASN 385 CO 0.26 -0.39 1.80 1.55 -3.72 0.00 0.00 177.10 176.60 1b8a h PRO 386 N 8.46 0.00 0.00 0.43 0.13 -1.89 0.21 132.00 139.33 1b8a h PRO 386 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1b8a h PRO 386 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1b8a h PRO 386 CO 0.67 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.37 1b8a h GLU 387 N 0.00 0.00 0.00 0.86 5.08 -2.01 -0.57 114.58 117.95 1b8a h GLU 387 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1b8a h GLU 387 Cb 1.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.19 1b8a h GLU 387 CO -0.00 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.44 1b8a n SER 388 N -2.75 0.00 -0.66 1.42 7.64 0.74 -3.52 113.62 116.48 1b8a n SER 388 Ca 0.00 0.38 0.05 0.00 1.01 0.00 0.00 58.87 60.32 1b8a n SER 388 Cb 0.23 -0.46 0.20 0.00 -1.01 0.00 0.00 64.21 63.18 1b8a n SER 388 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1b8a n PHE 389 N -1.46 0.54 -0.23 1.43 3.01 -0.22 -4.69 117.46 115.84 1b8a n PHE 389 Ca 0.08 -1.20 0.02 0.00 1.01 0.00 0.00 57.45 57.36 1b8a n PHE 389 Cb 0.28 -0.30 0.14 0.00 -0.01 0.00 0.00 39.48 39.60 1b8a n PHE 389 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1b8a h GLU 390 N 0.92 0.41 -0.38 -1.08 4.57 -1.62 0.24 114.58 117.64 1b8a h GLU 390 Ca 0.06 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1b8a h GLU 390 Cb 1.29 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 1b8a h GLU 390 CO 0.16 0.27 0.06 0.74 -1.18 0.00 0.00 179.01 179.06 1b8a h PHE 391 N 0.43 0.59 0.07 0.92 0.04 -1.92 -0.80 116.94 116.27 1b8a h PHE 391 Ca 0.35 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 61.07 1b8a h PHE 391 Cb 0.48 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1b8a h PHE 391 CO -0.17 0.54 -0.04 -0.92 -0.60 0.00 0.00 178.31 177.12 1b8a h TYR 392 N 0.56 -0.09 -0.28 -0.55 3.20 -1.68 -3.30 116.97 114.82 1b8a h TYR 392 Ca 0.12 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.01 1b8a h TYR 392 Cb 0.27 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1b8a h TYR 392 CO 0.01 0.46 0.19 -0.07 -1.64 0.00 0.00 178.16 177.11 1b8a h LEU 393 N -0.76 0.27 -1.20 2.82 3.38 -0.45 -1.88 115.31 117.49 1b8a h LEU 393 Ca -0.01 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.06 1b8a h LEU 393 Cb 0.59 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1b8a h LEU 393 CO 0.02 0.19 0.58 0.50 0.09 0.00 0.00 178.44 179.82 1b8a h LYS 394 N 0.31 0.83 0.00 1.13 3.64 -1.22 -1.00 116.57 120.26 1b8a h LYS 394 Ca 0.11 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1b8a h LYS 394 Cb 0.06 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1b8a h LYS 394 CO -0.02 0.55 0.00 0.00 -2.27 0.00 0.00 179.45 177.70 1b8a n ALA 395 N -2.41 1.35 0.71 5.00 0.00 -0.71 -2.02 120.51 122.45 1b8a n ALA 395 Ca 0.16 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.82 1b8a n ALA 395 Cb 0.35 -1.30 0.27 0.00 0.00 0.00 0.00 19.45 18.76 1b8a n ALA 395 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1b8a n PHE 396 N -2.09 0.35 0.85 0.00 3.01 -0.38 -4.37 117.46 114.83 1b8a n PHE 396 Ca 0.01 -0.18 0.09 0.00 1.01 0.00 0.00 57.45 58.38 1b8a n PHE 396 Cb 0.12 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.52 1b8a n PHE 396 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1b8a n ARG 397 N 1.05 1.17 -2.33 -1.08 1.74 -0.86 -4.46 116.66 111.89 1b8a n ARG 397 Ca 0.18 -0.25 -0.20 0.00 -0.77 0.00 0.00 57.85 56.81 1b8a n ARG 397 Cb 0.50 -1.35 0.02 0.00 -1.02 0.00 0.00 32.46 30.61 1b8a n ARG 397 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1b8a n TYR 398 N -1.05 2.60 -0.53 -1.55 4.01 -1.26 -4.96 117.16 114.41 1b8a n TYR 398 Ca 0.05 -2.53 0.00 0.00 -0.16 0.00 0.00 57.90 55.26 1b8a n TYR 398 Cb 0.31 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1b8a n TYR 398 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1b8a n GLY 399 N -0.57 -0.82 3.07 2.72 0.00 -1.26 -5.10 105.19 103.24 1b8a n GLY 399 Ca 0.34 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1b8a n GLY 399 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1b8a s MET 400 N -0.25 2.65 0.75 1.61 0.00 -1.26 -4.79 119.30 118.00 1b8a s MET 400 Ca 0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 55.69 54.82 1b8a s MET 400 Cb 0.00 -2.41 0.04 0.00 0.00 0.00 0.00 34.83 32.46 1b8a s MET 400 CO 0.00 -0.25 1.10 -1.25 0.00 0.00 0.00 175.02 174.62 1b8a s PRO 401 N 1.36 2.52 0.56 4.11 0.04 -1.26 -4.96 135.00 137.37 1b8a s PRO 401 Ca 0.04 0.51 -0.19 0.00 0.04 0.00 0.00 61.00 61.40 1b8a s PRO 401 Cb -0.13 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1b8a s PRO 401 CO -0.12 -1.29 1.18 -1.25 0.04 0.00 0.00 177.00 175.57 1b8a s PRO 402 N -5.29 3.18 0.23 0.56 0.04 -1.26 -4.80 135.00 127.66 1b8a s PRO 402 Ca 0.59 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 63.21 1b8a s PRO 402 Cb -0.12 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1b8a s PRO 402 CO 0.53 -1.02 0.58 -3.38 0.04 0.00 0.00 177.00 173.75 1b8a s HIS 403 N -1.65 -0.08 0.27 0.56 -3.43 -1.26 -0.55 115.29 109.15 1b8a s HIS 403 Ca 0.75 -0.29 -0.21 0.00 -0.80 0.00 0.00 55.06 54.50 1b8a s HIS 403 Cb -0.28 0.47 0.02 0.00 -1.43 0.00 0.00 32.58 31.36 1b8a s HIS 403 CO 0.31 -1.03 0.72 0.20 -2.00 0.00 0.00 174.74 172.95 1b8a s GLY 404 N -2.91 -0.13 0.00 -1.38 0.00 -0.58 -0.33 107.32 102.00 1b8a s GLY 404 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1b8a s GLY 404 CO 0.02 -0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.66 1b8a n GLY 405 N -0.46 1.16 3.49 0.20 0.00 -0.62 -0.07 105.19 108.89 1b8a n GLY 405 Ca -0.05 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 1b8a n GLY 405 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1b8a s PHE 406 N -3.39 -0.47 -0.18 1.61 -0.12 -0.73 -1.18 117.98 113.53 1b8a s PHE 406 Ca 0.00 0.21 0.01 0.00 -0.05 0.00 0.00 56.93 57.10 1b8a s PHE 406 Cb 0.00 0.57 0.01 0.00 -0.63 0.00 0.00 43.02 42.98 1b8a s PHE 406 CO 0.00 -0.91 -0.19 0.20 -0.05 0.00 0.00 175.22 174.27 1b8a s GLY 407 N -2.78 1.41 -0.25 1.99 0.00 0.41 -2.05 107.32 106.05 1b8a s GLY 407 Ca 0.03 -1.18 -0.01 0.00 0.00 0.00 0.00 44.72 43.55 1b8a s GLY 407 CO -0.10 0.23 -0.07 -2.27 0.00 0.00 0.00 173.10 170.89 1b8a s LEU 408 N 1.20 3.16 -0.06 0.66 2.96 0.84 -2.10 118.68 125.34 1b8a s LEU 408 Ca 0.02 -0.87 -0.30 0.00 -0.22 0.00 0.00 54.13 52.77 1b8a s LEU 408 Cb -0.14 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1b8a s LEU 408 CO -0.10 -0.12 1.39 -0.83 -1.32 0.00 0.00 176.35 175.37 1b8a s GLY 409 N 1.32 1.77 0.07 7.98 0.00 -0.42 -0.19 107.32 117.84 1b8a s GLY 409 Ca 0.00 0.75 -0.21 0.00 0.00 0.00 0.00 44.72 45.26 1b8a s GLY 409 CO -0.05 2.58 1.55 0.00 0.00 0.00 0.00 173.10 177.17 1b8a h ALA 410 N 8.22 0.20 -0.72 3.20 0.00 -1.33 0.10 119.26 128.94 1b8a h ALA 410 Ca -0.35 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1b8a h ALA 410 Cb 1.16 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1b8a h ALA 410 CO 0.93 -0.15 0.21 0.93 0.00 0.00 0.00 179.25 181.17 1b8a h GLU 411 N 0.04 1.12 -0.45 0.00 3.07 -1.91 -1.56 114.58 114.89 1b8a h GLU 411 Ca 0.05 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 58.66 1b8a h GLU 411 Cb 0.28 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 1b8a h GLU 411 CO 0.00 0.97 0.28 0.00 -1.40 0.00 0.00 179.01 178.85 1b8a h ARG 412 N 1.06 0.60 -0.17 2.33 2.47 -1.86 0.56 114.38 119.38 1b8a h ARG 412 Ca 0.23 -0.05 0.01 0.00 -1.26 0.00 0.00 59.98 58.91 1b8a h ARG 412 Cb 0.32 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 1b8a h ARG 412 CO -0.01 0.43 0.07 1.25 0.56 0.00 0.00 179.97 182.28 1b8a h LEU 413 N 0.60 0.10 -0.28 3.04 5.85 -0.52 -1.12 115.31 122.97 1b8a h LEU 413 Ca 0.16 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1b8a h LEU 413 Cb -0.02 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1b8a h LEU 413 CO -0.03 0.08 -0.16 0.40 -0.34 0.00 0.00 178.44 178.39 1b8a h ILE 414 N 0.16 1.30 -0.27 4.05 2.04 -1.08 0.13 117.51 123.84 1b8a h ILE 414 Ca 0.07 -1.27 0.02 0.00 1.00 0.00 0.00 64.86 64.68 1b8a h ILE 414 Cb 0.03 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1b8a h ILE 414 CO -0.06 0.40 0.11 0.50 0.00 0.00 0.00 178.15 179.10 1b8a h LYS 415 N 0.35 0.23 -0.33 2.37 3.64 -0.83 -2.07 116.57 119.93 1b8a h LYS 415 Ca 0.06 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 1b8a h LYS 415 Cb 0.69 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1b8a h LYS 415 CO 0.05 0.15 -0.34 1.96 -2.27 0.00 0.00 179.45 179.00 1b8a h GLN 416 N 0.24 0.82 -0.68 1.90 1.08 -1.11 -0.22 115.11 117.14 1b8a h GLN 416 Ca 0.11 -0.44 0.11 0.00 -1.45 0.00 0.00 58.65 56.98 1b8a h GLN 416 Cb 0.07 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.44 1b8a h GLN 416 CO -0.10 1.07 0.28 1.98 -0.95 0.00 0.00 178.83 181.11 1b8a h MET 417 N 0.60 0.46 -0.32 1.46 4.05 -0.56 -1.57 114.93 119.05 1b8a h MET 417 Ca 0.05 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1b8a h MET 417 Cb 0.93 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.62 1b8a h MET 417 CO 0.08 0.30 0.00 1.28 0.23 0.00 0.00 176.91 178.81 1b8a n LEU 418 N -4.96 2.31 -3.93 3.39 4.77 -0.79 -4.94 117.00 112.84 1b8a n LEU 418 Ca 0.11 -1.05 -0.27 0.00 -0.03 0.00 0.00 56.01 54.77 1b8a n LEU 418 Cb 0.31 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1b8a n LEU 418 CO 0.22 0.53 -0.13 -0.67 -1.33 0.00 0.00 177.39 176.01 1b8a n ASP 419 N 0.75 -1.48 -4.78 -1.43 2.03 -0.59 -4.95 116.55 106.10 1b8a n ASP 419 Ca 0.16 -0.94 -0.39 0.00 0.52 0.00 0.00 54.79 54.14 1b8a n ASP 419 Cb 0.40 -3.33 -0.06 0.00 -0.72 0.00 0.00 41.12 37.42 1b8a n ASP 419 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1b8a s LEU 420 N -6.99 4.51 0.46 -2.67 1.43 -0.19 -4.98 118.68 110.26 1b8a s LEU 420 Ca 0.19 1.36 0.22 0.00 -1.03 0.00 0.00 54.13 54.87 1b8a s LEU 420 Cb -0.10 -3.04 1.14 0.00 0.03 0.00 0.00 46.19 44.22 1b8a s LEU 420 CO 0.87 0.19 1.96 -0.65 0.23 0.00 0.00 176.35 178.96 1b8a h PRO 421 N 4.85 0.00 -4.00 1.29 0.11 -1.92 -3.44 132.00 128.89 1b8a h PRO 421 Ca -0.47 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.24 1b8a h PRO 421 Cb 1.21 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.98 1b8a h PRO 421 CO 0.66 0.21 -0.77 1.21 -0.21 0.00 0.00 178.00 179.10 1b8a s ASN 422 N -6.44 0.83 0.61 -2.05 3.84 -1.26 -4.86 114.94 105.60 1b8a s ASN 422 Ca -0.02 -0.11 0.38 0.00 0.21 0.00 0.00 52.86 53.31 1b8a s ASN 422 Cb 0.13 -0.39 1.99 0.00 -0.55 0.00 0.00 41.25 42.43 1b8a s ASN 422 CO 0.64 -0.05 2.23 -0.29 -2.79 0.00 0.00 177.10 176.84 1b8a h ILE 423 N 6.10 0.16 0.00 -5.21 2.10 -1.32 -1.48 117.51 117.86 1b8a h ILE 423 Ca -0.39 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.36 1b8a h ILE 423 Cb 1.15 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 38.04 1b8a h ILE 423 CO 0.48 0.02 0.00 0.03 -1.08 0.00 0.00 178.15 177.60 1b8a h ARG 424 N 0.00 0.00 0.00 2.19 3.08 -1.92 -1.74 114.38 115.99 1b8a h ARG 424 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b8a h ARG 424 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1b8a h ARG 424 CO 0.00 0.00 0.00 0.93 -1.07 0.00 0.00 179.97 179.83 1b8a h GLU 425 N 0.00 0.00 -0.43 0.04 4.39 -1.68 -3.32 114.58 113.57 1b8a h GLU 425 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1b8a h GLU 425 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1b8a h GLU 425 CO 0.00 0.00 0.00 1.33 -1.16 0.00 0.00 179.01 179.18 1b8a n VAL 426 N -2.57 1.20 -4.00 3.13 0.24 -0.65 -4.91 118.33 110.77 1b8a n VAL 426 Ca 0.03 -1.11 -0.15 0.00 -2.04 0.00 0.00 64.34 61.07 1b8a n VAL 426 Cb 0.35 0.39 -0.15 0.00 -1.47 0.00 0.00 33.84 32.97 1b8a n VAL 426 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1b8a s ILE 427 N -1.26 0.21 0.12 1.34 2.07 -1.25 -4.91 121.20 117.53 1b8a s ILE 427 Ca 0.32 -0.07 -0.19 0.00 -1.41 0.00 0.00 60.65 59.30 1b8a s ILE 427 Cb 0.18 -0.21 -0.06 0.00 0.13 0.00 0.00 42.46 42.51 1b8a s ILE 427 CO 0.19 0.08 1.76 -0.07 -1.91 0.00 0.00 174.94 174.99 1b8a h LEU 428 N 6.37 0.13 -6.95 8.50 3.38 -1.91 -3.37 115.31 121.46 1b8a h LEU 428 Ca -0.30 0.01 -0.61 0.00 0.09 0.00 0.00 57.88 57.06 1b8a h LEU 428 Cb 1.18 -0.01 -0.40 0.00 0.09 0.00 0.00 40.66 41.52 1b8a h LEU 428 CO 0.50 0.10 -0.71 -0.36 0.09 0.00 0.00 178.44 178.06 1b8a s PHE 429 N -6.18 2.55 0.67 1.13 0.08 -1.26 -4.94 117.98 110.03 1b8a s PHE 429 Ca -0.13 -2.84 -0.17 0.00 0.12 0.00 0.00 56.93 53.90 1b8a s PHE 429 Cb 0.09 -2.12 -0.00 0.00 -0.57 0.00 0.00 43.02 40.42 1b8a s PHE 429 CO 0.69 -0.70 1.28 -2.30 -0.10 0.00 0.00 175.22 174.09 1b8a n PRO 430 N 2.76 1.01 -4.02 0.24 -0.02 -1.26 -5.03 135.00 128.68 1b8a n PRO 430 Ca 0.17 0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 1b8a n PRO 430 Cb 0.37 -2.52 -0.16 0.00 -0.02 0.00 0.00 33.50 31.17 1b8a n PRO 430 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1b8a s ARG 431 N -3.45 2.26 0.16 -0.52 1.81 -1.26 -4.72 118.95 113.23 1b8a s ARG 431 Ca 0.82 -0.69 0.04 0.00 -1.72 0.00 0.00 55.73 54.17 1b8a s ARG 431 Cb -0.37 -2.26 -0.01 0.00 -0.45 0.00 0.00 34.95 31.85 1b8a s ARG 431 CO 0.41 -0.31 0.13 -0.40 -0.68 0.00 0.00 175.30 174.45 1b8a n ASP 432 N 4.72 -0.23 -0.31 0.23 5.68 -0.90 0.07 116.55 125.82 1b8a n ASP 432 Ca -0.16 -2.03 0.25 0.00 -0.50 0.00 0.00 54.79 52.35 1b8a n ASP 432 Cb 0.49 0.76 0.56 0.00 -1.14 0.00 0.00 41.12 41.79 1b8a n ASP 432 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1b8a h ARG 433 N 0.00 0.30 -0.06 0.11 9.65 -1.94 -2.44 114.38 120.00 1b8a h ARG 433 Ca -0.11 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1b8a h ARG 433 Cb 0.56 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 1b8a h ARG 433 CO 0.17 0.20 0.00 2.89 2.80 0.00 0.00 179.97 186.02 1b8a n ARG 434 N -4.52 0.71 -4.03 0.20 -4.01 -1.26 -4.96 116.66 98.78 1b8a n ARG 434 Ca 0.24 -1.13 -0.31 0.00 -1.04 0.00 0.00 57.85 55.62 1b8a n ARG 434 Cb 0.93 -1.13 -0.16 0.00 -3.04 0.00 0.00 32.46 29.06 1b8a n ARG 434 CO 0.00 0.00 0.00 0.50 -3.04 0.00 0.00 177.63 175.09 1b8a s ARG 435 N -0.65 2.31 0.00 2.89 3.52 -0.92 -4.93 118.95 121.18 1b8a s ARG 435 Ca 0.09 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 1b8a s ARG 435 Cb 0.06 -2.28 0.00 0.00 -1.56 0.00 0.00 34.95 31.17 1b8a s ARG 435 CO 0.08 -0.30 0.00 -0.11 -0.81 0.00 0.00 175.30 174.16 1b8a n LEU 436 N 4.72 0.00 -3.89 -0.88 0.00 -1.26 -2.11 117.00 113.57 1b8a n LEU 436 Ca -0.17 -0.10 -0.11 0.00 0.00 0.00 0.00 56.01 55.64 1b8a n LEU 436 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.81 1b8a n LEU 436 CO 0.22 0.00 -0.20 0.42 0.00 0.00 0.00 177.39 177.83 1b8a s THR 437 N -1.50 0.09 -1.34 1.96 -4.23 -1.26 -5.07 115.64 104.29 1b8a s THR 437 Ca 0.00 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1b8a s THR 437 Cb 0.00 -0.41 0.00 0.00 1.34 0.00 0.00 72.50 73.43 1b8a s THR 437 CO 0.00 -0.40 0.34 -2.65 -0.54 0.00 0.00 174.62 171.37