#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0j s ARG 2 N 0.00 3.00 0.42 0.03 1.81 -1.26 -4.93 118.95 118.02 1j0j s ARG 2 Ca 0.00 -1.18 0.10 0.00 -1.72 0.00 0.00 55.73 52.93 1j0j s ARG 2 Cb 0.00 -4.08 0.89 0.00 -0.45 0.00 0.00 34.95 31.31 1j0j s ARG 2 CO 0.00 -0.97 2.01 0.87 -0.68 0.00 0.00 175.30 176.53 1j0j h LYS 3 N 8.75 0.31 0.00 3.54 1.57 -2.04 -2.59 116.57 126.11 1j0j h LYS 3 Ca -0.28 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1j0j h LYS 3 Cb 1.11 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1j0j h LYS 3 CO 0.85 0.31 0.00 1.05 -0.57 0.00 0.00 179.45 181.08 1j0j h GLU 4 N 0.31 0.00 0.00 3.15 9.09 -2.03 -2.62 114.58 122.48 1j0j h GLU 4 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.49 1j0j h GLU 4 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 1j0j h GLU 4 CO -0.00 0.00 -1.01 0.00 0.05 0.00 0.00 179.01 178.05 1j0j n ALA 5 N -1.91 4.68 -2.71 1.06 0.00 -0.98 -4.92 120.51 115.73 1j0j n ALA 5 Ca -0.00 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.44 1j0j n ALA 5 Cb 0.18 -0.76 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 1j0j n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j0j s ILE 6 N -2.98 4.89 -0.17 0.00 1.01 -0.99 -4.03 121.20 118.93 1j0j s ILE 6 Ca 0.07 1.95 -0.18 0.00 0.00 0.00 0.00 60.65 62.50 1j0j s ILE 6 Cb 0.16 -4.27 0.05 0.00 0.01 0.00 0.00 42.46 38.40 1j0j s ILE 6 CO 0.86 0.16 0.50 -0.47 0.00 0.00 0.00 174.94 175.99 1j0j s TYR 7 N 1.05 -0.53 -0.03 3.97 5.04 -0.71 -5.02 117.35 121.12 1j0j s TYR 7 Ca 0.49 1.28 -0.27 0.00 -2.44 0.00 0.00 57.07 56.13 1j0j s TYR 7 Cb -0.20 0.19 0.06 0.00 0.35 0.00 0.00 41.96 42.36 1j0j s TYR 7 CO 0.26 -0.28 0.60 -1.58 -1.34 0.00 0.00 175.55 173.20 1j0j s HIS 8 N 0.13 -0.55 -0.29 4.97 5.65 -1.26 -2.52 115.29 121.42 1j0j s HIS 8 Ca -0.01 0.88 -0.12 0.00 0.25 0.00 0.00 55.06 56.06 1j0j s HIS 8 Cb -0.03 0.35 0.12 0.00 -1.18 0.00 0.00 32.58 31.84 1j0j s HIS 8 CO 0.01 -0.58 0.68 0.50 -0.65 0.00 0.00 174.74 174.70 1j0j s ARG 9 N -1.44 0.59 0.00 2.88 3.52 -1.26 -5.08 118.95 118.16 1j0j s ARG 9 Ca -0.10 1.35 0.00 0.00 -0.13 0.00 0.00 55.73 56.84 1j0j s ARG 9 Cb -0.01 0.66 0.00 0.00 -1.56 0.00 0.00 34.95 34.04 1j0j s ARG 9 CO 0.07 -0.18 0.42 -2.30 -0.81 0.00 0.00 175.30 172.50 1j0j n PRO 10 N 5.11 0.00 -3.79 5.12 -0.02 -1.26 -4.37 135.00 135.79 1j0j n PRO 10 Ca -0.14 -0.21 -0.03 0.00 -2.02 0.00 0.00 63.50 61.11 1j0j n PRO 10 Cb 0.52 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1j0j n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j0j s ALA 11 N 2.66 -1.69 0.00 3.55 0.00 -1.25 -4.88 121.76 120.15 1j0j s ALA 11 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1j0j s ALA 11 Cb 0.00 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.78 1j0j s ALA 11 CO 0.00 -1.05 0.00 -0.25 0.00 0.00 0.00 175.76 174.46 1j0j n ASP 12 N -0.78 0.00 0.00 0.00 8.00 -1.24 -1.16 116.55 121.37 1j0j n ASP 12 Ca -0.05 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.52 1j0j n ASP 12 Cb 0.60 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 42.03 1j0j n ASP 12 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1j0j n ASN 13 N 1.12 0.00 -0.01 -2.24 6.94 -1.26 -3.06 115.26 116.74 1j0j n ASN 13 Ca 0.00 0.33 0.09 0.00 -0.02 0.00 0.00 54.58 54.98 1j0j n ASN 13 Cb 0.00 -0.41 -0.14 0.00 -2.36 0.00 0.00 39.78 36.86 1j0j n ASN 13 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1j0j n PHE 14 N -1.41 0.00 -3.43 -2.53 3.01 -0.30 -4.64 117.46 108.15 1j0j n PHE 14 Ca 0.05 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.46 1j0j n PHE 14 Cb 0.14 -0.43 -0.06 0.00 -0.01 0.00 0.00 39.48 39.12 1j0j n PHE 14 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1j0j s ALA 15 N -3.26 -1.55 0.21 4.37 0.00 -0.73 -0.72 121.76 120.08 1j0j s ALA 15 Ca -0.07 1.53 -0.21 0.00 0.00 0.00 0.00 51.96 53.21 1j0j s ALA 15 Cb 0.12 -1.72 0.05 0.00 0.00 0.00 0.00 23.12 21.56 1j0j s ALA 15 CO 0.77 -1.09 0.63 1.52 0.00 0.00 0.00 175.76 177.58 1j0j s TYR 16 N 2.70 -0.35 -0.03 0.00 -0.85 -0.87 -3.64 117.35 114.32 1j0j s TYR 16 Ca 0.08 0.03 -0.20 0.00 -0.52 0.00 0.00 57.07 56.46 1j0j s TYR 16 Cb -0.14 0.58 -0.05 0.00 0.38 0.00 0.00 41.96 42.73 1j0j s TYR 16 CO -0.17 -0.99 0.58 0.00 -1.52 0.00 0.00 175.55 173.45 1j0j s ALA 17 N -3.83 3.48 -0.09 9.51 0.00 -1.26 -0.07 121.76 129.49 1j0j s ALA 17 Ca 0.06 -0.00 0.06 0.00 0.00 0.00 0.00 51.96 52.08 1j0j s ALA 17 Cb -0.03 -2.74 -0.24 0.00 0.00 0.00 0.00 23.12 20.12 1j0j s ALA 17 CO -0.04 0.13 0.47 0.98 0.00 0.00 0.00 175.76 177.30 1j0j n TYR 18 N 2.94 0.96 -3.84 0.00 9.36 -0.63 -4.61 117.16 121.34 1j0j n TYR 18 Ca -0.07 0.28 -0.09 0.00 3.32 0.00 0.00 57.90 61.34 1j0j n TYR 18 Cb 0.51 -1.15 0.02 0.00 -0.63 0.00 0.00 39.34 38.08 1j0j n TYR 18 CO 0.00 0.00 0.00 0.16 0.22 0.00 0.00 176.86 177.24 1j0j s ASP 19 N -6.37 0.11 0.62 2.98 3.84 -1.20 -4.94 116.67 111.70 1j0j s ASP 19 Ca -0.12 -1.19 0.22 0.00 -0.00 0.00 0.00 52.55 51.46 1j0j s ASP 19 Cb 0.07 0.84 0.96 0.00 -1.38 0.00 0.00 42.92 43.41 1j0j s ASP 19 CO 0.80 -1.66 1.46 0.77 -0.00 0.00 0.00 175.17 176.54 1j0j h SER 20 N 2.01 0.00 0.00 2.11 4.64 -1.93 -3.03 113.55 117.35 1j0j h SER 20 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1j0j h SER 20 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1j0j h SER 20 CO 0.41 0.00 -0.50 -1.84 -0.87 0.00 0.00 176.83 174.02 1j0j n GLU 21 N -3.17 2.89 -3.53 4.77 0.28 -1.26 -4.78 120.64 115.84 1j0j n GLU 21 Ca 0.12 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.79 1j0j n GLU 21 Cb 1.08 -0.75 -0.05 0.00 1.43 0.00 0.00 31.44 33.15 1j0j n GLU 21 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1j0j s THR 22 N -1.05 5.04 -0.03 3.84 2.01 -1.15 -3.94 115.64 120.36 1j0j s THR 22 Ca 0.00 0.43 0.03 0.00 0.31 0.00 0.00 61.69 62.47 1j0j s THR 22 Cb 0.00 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1j0j s THR 22 CO 0.00 0.17 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.75 1j0j s LEU 23 N -2.23 1.82 -0.06 4.42 0.20 0.12 -1.60 118.68 121.36 1j0j s LEU 23 Ca 0.38 -0.26 -0.00 0.00 0.69 0.00 0.00 54.13 54.94 1j0j s LEU 23 Cb -0.13 -0.73 -0.03 0.00 -0.43 0.00 0.00 46.19 44.87 1j0j s LEU 23 CO 0.20 0.10 -0.01 -1.00 -0.29 0.00 0.00 176.35 175.34 1j0j s HIS 24 N 0.16 3.09 0.00 5.38 3.76 0.90 -0.38 115.29 128.21 1j0j s HIS 24 Ca -0.04 0.12 0.02 0.00 -0.15 0.00 0.00 55.06 55.02 1j0j s HIS 24 Cb -0.10 -1.73 -0.01 0.00 1.11 0.00 0.00 32.58 31.85 1j0j s HIS 24 CO 0.01 0.44 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.76 1j0j s LEU 25 N -1.08 2.04 0.16 0.89 1.43 -0.21 -2.04 118.68 119.87 1j0j s LEU 25 Ca 0.15 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 1j0j s LEU 25 Cb -0.11 -0.33 -0.04 0.00 0.03 0.00 0.00 46.19 45.73 1j0j s LEU 25 CO 0.05 0.05 -0.15 -0.13 0.23 0.00 0.00 176.35 176.40 1j0j s ARG 26 N -0.32 1.21 -0.13 1.70 0.52 0.11 -1.77 118.95 120.27 1j0j s ARG 26 Ca 0.01 -1.41 -0.09 0.00 -0.52 0.00 0.00 55.73 53.72 1j0j s ARG 26 Cb -0.03 -1.11 0.04 0.00 0.52 0.00 0.00 34.95 34.37 1j0j s ARG 26 CO -0.00 0.21 0.32 -1.17 0.02 0.00 0.00 175.30 174.68 1j0j s LEU 27 N -2.82 0.41 0.12 2.53 2.96 -0.93 -4.84 118.68 116.12 1j0j s LEU 27 Ca 0.16 0.68 0.08 0.00 -0.22 0.00 0.00 54.13 54.83 1j0j s LEU 27 Cb -0.04 1.05 -0.04 0.00 0.50 0.00 0.00 46.19 47.66 1j0j s LEU 27 CO 0.05 -0.15 -0.16 0.00 -1.32 0.00 0.00 176.35 174.77 1j0j s ARG 28 N 0.87 1.88 0.15 1.98 1.70 -1.05 0.18 118.95 124.66 1j0j s ARG 28 Ca -0.06 -1.14 -0.04 0.00 -0.47 0.00 0.00 55.73 54.02 1j0j s ARG 28 Cb -0.07 -2.16 -0.03 0.00 -0.57 0.00 0.00 34.95 32.12 1j0j s ARG 28 CO -0.06 0.49 0.15 0.95 -1.08 0.00 0.00 175.30 175.75 1j0j s THR 29 N -1.18 0.08 0.42 4.99 -4.23 -0.40 -1.74 115.64 113.57 1j0j s THR 29 Ca 0.19 -1.72 -0.26 0.00 -1.18 0.00 0.00 61.69 58.72 1j0j s THR 29 Cb -0.11 -2.01 -0.10 0.00 1.34 0.00 0.00 72.50 71.62 1j0j s THR 29 CO 0.11 -0.36 1.34 1.17 -0.54 0.00 0.00 174.62 176.35 1j0j n LYS 30 N -0.16 2.12 -1.67 3.99 4.81 -1.26 0.61 118.16 126.61 1j0j n LYS 30 Ca -0.05 0.75 -0.45 0.00 -0.87 0.00 0.00 58.31 57.69 1j0j n LYS 30 Cb 0.64 -2.48 -0.03 0.00 0.02 0.00 0.00 35.03 33.17 1j0j n LYS 30 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1j0j n LYS 31 N 0.06 2.10 -1.44 1.64 4.81 -0.03 -1.73 118.16 123.58 1j0j n LYS 31 Ca 0.05 0.75 -0.15 0.00 -0.87 0.00 0.00 58.31 58.09 1j0j n LYS 31 Cb 0.40 -2.45 -0.07 0.00 0.02 0.00 0.00 35.03 32.93 1j0j n LYS 31 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1j0j n ASP 32 N 2.55 -4.18 0.03 3.14 8.00 -1.26 -4.83 116.55 120.01 1j0j n ASP 32 Ca 0.13 0.38 0.03 0.00 0.71 0.00 0.00 54.79 56.04 1j0j n ASP 32 Cb 0.31 -3.77 -0.08 0.00 -0.02 0.00 0.00 41.12 37.56 1j0j n ASP 32 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1j0j n ASP 33 N -0.78 0.73 -4.34 -2.24 2.03 -0.71 -4.89 116.55 106.35 1j0j n ASP 33 Ca -0.15 0.31 -0.30 0.00 0.52 0.00 0.00 54.79 55.17 1j0j n ASP 33 Cb 0.52 0.43 -0.15 0.00 -0.72 0.00 0.00 41.12 41.20 1j0j n ASP 33 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1j0j s ILE 34 N -3.04 2.12 -0.21 5.18 -1.09 -1.26 -4.73 121.20 118.17 1j0j s ILE 34 Ca -0.03 -1.41 -0.18 0.00 -2.23 0.00 0.00 60.65 56.79 1j0j s ILE 34 Cb 0.09 -1.82 -0.19 0.00 -1.58 0.00 0.00 42.46 38.96 1j0j s ILE 34 CO 0.82 0.33 0.14 0.47 -1.23 0.00 0.00 174.94 175.47 1j0j n ASP 35 N 1.70 1.91 -3.88 3.58 8.00 -0.34 -5.00 116.55 122.52 1j0j n ASP 35 Ca -0.17 0.38 -0.11 0.00 0.71 0.00 0.00 54.79 55.60 1j0j n ASP 35 Cb 0.52 -0.92 -0.09 0.00 -0.02 0.00 0.00 41.12 40.60 1j0j n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j0j s ARG 36 N -2.41 0.56 -0.03 -1.24 1.70 -1.21 -5.04 118.95 111.27 1j0j s ARG 36 Ca -0.30 -0.54 0.02 0.00 -0.47 0.00 0.00 55.73 54.45 1j0j s ARG 36 Cb 0.07 0.23 0.01 0.00 -0.57 0.00 0.00 34.95 34.69 1j0j s ARG 36 CO 0.60 -0.14 -0.07 0.08 -1.08 0.00 0.00 175.30 174.68 1j0j s VAL 37 N -1.94 0.70 -0.10 4.99 1.01 -1.26 -1.89 120.40 121.92 1j0j s VAL 37 Ca -0.10 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1j0j s VAL 37 Cb -0.05 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 1j0j s VAL 37 CO -0.01 0.24 -0.20 -1.61 0.00 0.00 0.00 175.10 173.51 1j0j s GLU 38 N 0.44 3.01 -0.21 2.72 2.02 -0.35 0.43 118.70 126.76 1j0j s GLU 38 Ca -0.07 -0.81 -0.29 0.00 0.02 0.00 0.00 54.97 53.82 1j0j s GLU 38 Cb -0.11 -2.38 0.01 0.00 0.10 0.00 0.00 34.13 31.75 1j0j s GLU 38 CO 0.01 0.26 1.02 -1.17 0.02 0.00 0.00 175.26 175.40 1j0j s LEU 39 N 0.16 4.12 -0.44 1.80 2.96 0.50 -0.91 118.68 126.87 1j0j s LEU 39 Ca -0.11 1.38 -0.19 0.00 -0.22 0.00 0.00 54.13 54.99 1j0j s LEU 39 Cb -0.16 -3.52 0.03 0.00 0.50 0.00 0.00 46.19 43.04 1j0j s LEU 39 CO 0.06 -0.62 0.56 -0.22 -1.32 0.00 0.00 176.35 174.81 1j0j s LEU 40 N 2.96 4.72 0.07 -0.68 0.20 -0.14 -1.14 118.68 124.67 1j0j s LEU 40 Ca 0.44 -0.57 0.04 0.00 0.69 0.00 0.00 54.13 54.73 1j0j s LEU 40 Cb -0.16 -2.55 -0.03 0.00 -0.43 0.00 0.00 46.19 43.03 1j0j s LEU 40 CO 0.08 -0.72 -0.11 -1.38 -0.29 0.00 0.00 176.35 173.93 1j0j s HIS 41 N 2.51 1.01 -0.18 5.38 -3.43 -0.33 -0.00 115.29 120.25 1j0j s HIS 41 Ca 0.17 -0.51 -0.34 0.00 -0.80 0.00 0.00 55.06 53.59 1j0j s HIS 41 Cb -0.16 -0.57 0.14 0.00 -1.43 0.00 0.00 32.58 30.56 1j0j s HIS 41 CO 0.16 0.00 1.19 0.20 -2.00 0.00 0.00 174.74 174.28 1j0j s GLY 42 N -1.81 -0.27 0.35 -1.38 0.00 -0.76 0.48 107.32 103.94 1j0j s GLY 42 Ca -0.03 1.71 -0.27 0.00 0.00 0.00 0.00 44.72 46.12 1j0j s GLY 42 CO 0.01 0.61 1.22 -0.35 0.00 0.00 0.00 173.10 174.60 1j0j s ASP 43 N -2.01 6.73 0.52 1.64 2.15 -1.26 -1.03 116.67 123.40 1j0j s ASP 43 Ca 0.08 2.50 0.17 0.00 0.43 0.00 0.00 52.55 55.73 1j0j s ASP 43 Cb -0.01 -2.63 1.28 0.00 -0.30 0.00 0.00 42.92 41.25 1j0j s ASP 43 CO -0.05 -0.55 2.14 -0.65 -0.17 0.00 0.00 175.17 175.90 1j0j h PRO 44 N 3.14 0.00 -0.40 4.34 0.11 -1.89 -3.02 132.00 134.29 1j0j h PRO 44 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1j0j h PRO 44 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1j0j h PRO 44 CO 0.64 0.02 0.00 0.66 -0.21 0.00 0.00 178.00 179.11 1j0j n TYR 45 N -4.48 1.02 -2.93 0.65 4.02 -1.26 -4.89 117.16 109.29 1j0j n TYR 45 Ca -0.03 -0.70 -0.43 0.00 -0.01 0.00 0.00 57.90 56.73 1j0j n TYR 45 Cb 0.11 -0.23 -0.04 0.00 -0.02 0.00 0.00 39.34 39.15 1j0j n TYR 45 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1j0j s ASP 46 N -1.34 6.19 0.15 7.72 3.68 -1.14 -5.01 116.67 126.91 1j0j s ASP 46 Ca 0.40 -1.05 0.05 0.00 2.13 0.00 0.00 52.55 54.08 1j0j s ASP 46 Cb 0.28 -2.38 -0.04 0.00 -1.45 0.00 0.00 42.92 39.33 1j0j s ASP 46 CO 0.15 -1.32 -0.12 0.26 0.13 0.00 0.00 175.17 174.27 1j0j s TRP 47 N 3.64 1.37 0.00 -5.34 0.52 -1.26 -0.91 118.94 116.96 1j0j s TRP 47 Ca 0.20 -0.66 0.00 0.00 0.02 0.00 0.00 56.10 55.66 1j0j s TRP 47 Cb -0.18 -0.69 0.00 0.00 -1.15 0.00 0.00 33.47 31.44 1j0j s TRP 47 CO 0.10 0.14 0.00 0.94 0.02 0.00 0.00 176.95 178.15 1j0j n GLN 48 N 0.05 0.00 0.00 4.98 -0.06 -1.18 -4.96 117.38 116.22 1j0j n GLN 48 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.88 1j0j n GLN 48 Cb 0.59 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.77 1j0j n GLN 48 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1j0j n ASN 49 N -0.85 0.00 -0.97 1.69 3.02 -1.26 -4.84 115.26 112.05 1j0j n ASN 49 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.63 1j0j n ASN 49 Cb 0.00 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.44 1j0j n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j0j n GLY 50 N 5.00 3.89 3.55 7.41 0.00 -1.26 -4.96 105.19 118.82 1j0j n GLY 50 Ca 0.00 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 1j0j n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0j s ALA 51 N -2.74 2.88 -0.03 4.61 0.00 -1.26 -4.15 121.76 121.06 1j0j s ALA 51 Ca 0.43 -1.01 -0.21 0.00 0.00 0.00 0.00 51.96 51.17 1j0j s ALA 51 Cb 0.34 -1.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1j0j s ALA 51 CO 0.10 0.59 0.60 -0.46 0.00 0.00 0.00 175.76 176.59 1j0j s TRP 52 N -0.90 3.64 -0.61 0.00 -0.00 -1.05 -3.08 118.94 116.95 1j0j s TRP 52 Ca 0.15 1.17 -0.26 0.00 -0.00 0.00 0.00 56.10 57.16 1j0j s TRP 52 Cb -0.11 -2.64 0.04 0.00 -0.00 0.00 0.00 33.47 30.76 1j0j s TRP 52 CO 0.05 0.27 1.08 -0.65 -0.00 0.00 0.00 176.95 177.70 1j0j s GLN 53 N 0.12 3.33 0.32 5.86 -1.52 -0.09 -5.01 119.66 122.68 1j0j s GLN 53 Ca 0.32 -0.19 0.07 0.00 -1.95 0.00 0.00 55.36 53.61 1j0j s GLN 53 Cb -0.18 -4.09 -0.06 0.00 -0.22 0.00 0.00 33.01 28.46 1j0j s GLN 53 CO 0.16 -1.71 -0.05 -0.59 -0.25 0.00 0.00 175.29 172.86 1j0j s PHE 54 N 4.57 2.18 0.16 0.91 -0.71 -1.26 -4.21 117.98 119.63 1j0j s PHE 54 Ca 0.34 -0.66 0.08 0.00 -1.04 0.00 0.00 56.93 55.65 1j0j s PHE 54 Cb -0.11 -1.32 -0.04 0.00 -1.21 0.00 0.00 43.02 40.34 1j0j s PHE 54 CO 0.19 0.38 -0.18 -0.65 -1.34 0.00 0.00 175.22 173.62 1j0j s GLN 55 N -3.70 1.25 -0.06 1.99 -0.21 0.18 -4.95 119.66 114.15 1j0j s GLN 55 Ca 0.32 -1.39 -0.00 0.00 0.02 0.00 0.00 55.36 54.30 1j0j s GLN 55 Cb 0.05 -1.29 -0.03 0.00 1.00 0.00 0.00 33.01 32.73 1j0j s GLN 55 CO 0.15 0.26 -0.01 -1.64 -2.12 0.00 0.00 175.29 171.93 1j0j s MET 56 N -2.79 2.89 0.01 2.91 -1.94 -1.26 -1.18 119.30 117.93 1j0j s MET 56 Ca 0.15 -0.49 0.01 0.00 -1.71 0.00 0.00 55.69 53.65 1j0j s MET 56 Cb -0.06 -2.72 -0.01 0.00 2.01 0.00 0.00 34.83 34.05 1j0j s MET 56 CO 0.06 0.67 -0.03 1.41 -0.01 0.00 0.00 175.02 177.12 1j0j s MET 57 N -1.07 0.27 0.39 2.03 1.75 -0.30 -4.94 119.30 117.43 1j0j s MET 57 Ca 0.15 -0.26 -0.22 0.00 -1.25 0.00 0.00 55.69 54.11 1j0j s MET 57 Cb -0.11 -0.17 -0.10 0.00 2.84 0.00 0.00 34.83 37.29 1j0j s MET 57 CO 0.04 0.04 0.92 -2.14 -0.65 0.00 0.00 175.02 173.23 1j0j s PRO 58 N -0.49 4.30 -0.10 4.11 0.02 -1.26 0.19 135.00 141.77 1j0j s PRO 58 Ca -0.03 1.12 0.01 0.00 0.02 0.00 0.00 61.00 62.12 1j0j s PRO 58 Cb -0.04 -2.38 -0.02 0.00 0.02 0.00 0.00 34.50 32.08 1j0j s PRO 58 CO -0.00 0.08 -0.11 -1.64 -0.33 0.00 0.00 177.00 174.99 1j0j s MET 59 N -2.84 3.04 -0.13 5.54 -1.94 0.17 -4.74 119.30 118.40 1j0j s MET 59 Ca 0.58 -0.64 -0.08 0.00 -1.71 0.00 0.00 55.69 53.84 1j0j s MET 59 Cb -0.12 -2.59 -0.04 0.00 2.01 0.00 0.00 34.83 34.09 1j0j s MET 59 CO 0.16 0.42 0.16 -0.98 -0.01 0.00 0.00 175.02 174.77 1j0j s ARG 60 N -0.19 3.61 -0.15 2.03 1.70 -0.77 -4.38 118.95 120.81 1j0j s ARG 60 Ca 0.01 -0.11 -0.29 0.00 -0.47 0.00 0.00 55.73 54.87 1j0j s ARG 60 Cb -0.13 -3.24 -0.05 0.00 -0.57 0.00 0.00 34.95 30.96 1j0j s ARG 60 CO 0.03 0.68 1.90 0.21 -1.08 0.00 0.00 175.30 177.04 1j0j s LYS 61 N -0.76 3.68 0.00 3.89 2.20 -1.26 -1.42 119.74 126.07 1j0j s LYS 61 Ca 0.14 2.04 0.26 0.00 -0.36 0.00 0.00 55.97 58.05 1j0j s LYS 61 Cb -0.12 -4.18 0.63 0.00 -1.51 0.00 0.00 37.83 32.65 1j0j s LYS 61 CO 0.04 -1.45 1.50 0.25 -0.36 0.00 0.00 175.35 175.32 1j0j n THR 62 N 6.59 0.00 0.00 3.43 -2.24 -0.23 -4.97 114.28 116.86 1j0j n THR 62 Ca 0.22 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1j0j n THR 62 Cb 0.44 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1j0j n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j0j n GLY 63 N 1.30 0.92 3.45 3.38 0.00 -1.25 -4.87 105.19 108.11 1j0j n GLY 63 Ca 0.14 -1.75 -0.17 0.00 0.00 0.00 0.00 46.02 44.24 1j0j n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j0j s SER 64 N 0.00 -0.54 0.00 1.61 1.04 -1.26 -1.22 113.70 113.33 1j0j s SER 64 Ca 0.00 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1j0j s SER 64 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1j0j s SER 64 CO 0.00 -0.59 0.00 -0.90 0.98 0.00 0.00 173.24 172.73 1j0j n ASP 65 N 0.92 0.00 -0.07 7.02 5.68 -0.60 -4.55 116.55 124.95 1j0j n ASP 65 Ca -0.19 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.06 1j0j n ASP 65 Cb 0.57 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.74 1j0j n ASP 65 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1j0j h GLU 66 N 0.00 0.70 0.00 0.11 4.57 -1.95 -3.38 114.58 114.64 1j0j h GLU 66 Ca 0.00 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 57.93 1j0j h GLU 66 Cb 0.00 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1j0j h GLU 66 CO 0.00 0.74 -1.26 1.28 -1.18 0.00 0.00 179.01 178.59 1j0j n LEU 67 N -4.22 0.00 -4.53 1.64 4.77 -1.26 -4.97 117.00 108.43 1j0j n LEU 67 Ca 0.02 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.75 1j0j n LEU 67 Cb 0.30 0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.37 1j0j n LEU 67 CO 0.41 0.09 -0.34 -0.36 -1.33 0.00 0.00 177.39 175.86 1j0j s PHE 68 N -2.12 2.30 0.08 -1.77 0.08 -1.26 -0.85 117.98 114.45 1j0j s PHE 68 Ca -0.02 -0.65 0.04 0.00 0.12 0.00 0.00 56.93 56.43 1j0j s PHE 68 Cb 0.01 -1.45 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 1j0j s PHE 68 CO 0.16 0.41 0.01 -0.51 -0.10 0.00 0.00 175.22 175.19 1j0j s ASP 69 N -3.59 5.07 -0.08 1.36 1.01 0.20 -1.55 116.67 119.09 1j0j s ASP 69 Ca 0.33 -0.15 0.03 0.00 0.71 0.00 0.00 52.55 53.48 1j0j s ASP 69 Cb 0.06 -1.23 0.01 0.00 1.01 0.00 0.00 42.92 42.76 1j0j s ASP 69 CO 0.16 0.18 -0.18 -0.31 0.21 0.00 0.00 175.17 175.23 1j0j s TYR 70 N -1.30 1.99 0.10 4.23 2.02 -0.36 -1.28 117.35 122.77 1j0j s TYR 70 Ca 0.25 -0.77 0.06 0.00 -0.37 0.00 0.00 57.07 56.24 1j0j s TYR 70 Cb -0.12 -1.38 -0.04 0.00 -0.40 0.00 0.00 41.96 40.03 1j0j s TYR 70 CO 0.18 -0.33 -0.03 -1.58 -1.57 0.00 0.00 175.55 172.22 1j0j s TRP 71 N 0.45 2.90 0.09 2.71 0.52 0.13 -1.07 118.94 124.68 1j0j s TRP 71 Ca -0.16 -0.07 0.05 0.00 0.02 0.00 0.00 56.10 55.94 1j0j s TRP 71 Cb -0.16 -1.49 -0.03 0.00 -1.15 0.00 0.00 33.47 30.63 1j0j s TRP 71 CO 0.06 0.47 -0.14 0.12 0.02 0.00 0.00 176.95 177.48 1j0j s PHE 72 N -1.33 1.28 -0.24 -1.98 5.36 -0.51 -2.18 117.98 118.38 1j0j s PHE 72 Ca 0.25 -0.51 -0.14 0.00 -0.96 0.00 0.00 56.93 55.57 1j0j s PHE 72 Cb -0.11 -0.70 0.07 0.00 -0.34 0.00 0.00 43.02 41.94 1j0j s PHE 72 CO 0.17 0.09 0.59 0.00 -1.46 0.00 0.00 175.22 174.61 1j0j s ALA 73 N -1.67 -1.58 -0.18 11.12 0.00 -0.73 -1.85 121.76 126.87 1j0j s ALA 73 Ca 0.03 2.09 -0.04 0.00 0.00 0.00 0.00 51.96 54.04 1j0j s ALA 73 Cb -0.08 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 1j0j s ALA 73 CO 0.02 -0.34 -0.04 -2.00 0.00 0.00 0.00 175.76 173.41 1j0j s GLU 74 N 1.48 3.56 -0.03 0.00 2.12 -1.26 -1.05 118.70 123.52 1j0j s GLU 74 Ca -0.09 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 54.69 1j0j s GLU 74 Cb -0.06 -2.95 0.01 0.00 0.26 0.00 0.00 34.13 31.40 1j0j s GLU 74 CO -0.16 0.09 -0.05 0.08 -0.54 0.00 0.00 175.26 174.68 1j0j s VAL 75 N 0.76 0.48 -0.62 3.70 1.01 0.49 -4.94 120.40 121.28 1j0j s VAL 75 Ca -0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 1j0j s VAL 75 Cb -0.15 -0.48 0.16 0.00 0.00 0.00 0.00 36.38 35.92 1j0j s VAL 75 CO 0.02 0.19 0.48 -0.54 0.00 0.00 0.00 175.10 175.24 1j0j s LYS 76 N 0.53 2.74 0.24 2.72 1.02 -1.26 0.10 119.74 125.83 1j0j s LYS 76 Ca -0.07 -2.30 -0.31 0.00 0.02 0.00 0.00 55.97 53.31 1j0j s LYS 76 Cb -0.10 -3.92 -0.12 0.00 -0.52 0.00 0.00 37.83 33.16 1j0j s LYS 76 CO -0.00 -1.20 1.59 -2.30 -0.92 0.00 0.00 175.35 172.52 1j0j n PRO 77 N 3.99 2.49 -0.18 -1.68 -0.02 -1.25 -4.93 135.00 133.42 1j0j n PRO 77 Ca 0.05 0.89 -0.01 0.00 -2.02 0.00 0.00 63.50 62.41 1j0j n PRO 77 Cb 0.41 -2.66 0.07 0.00 -0.02 0.00 0.00 33.50 31.30 1j0j n PRO 77 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1j0j h PRO 78 N 5.33 0.09 -0.10 0.52 0.13 -1.95 -2.55 132.00 133.45 1j0j h PRO 78 Ca -0.45 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 1j0j h PRO 78 Cb 1.23 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1j0j h PRO 78 CO 0.84 0.06 -0.20 0.66 -0.23 0.00 0.00 178.00 179.13 1j0j n TYR 79 N -5.29 0.34 -1.46 1.56 4.02 -1.26 -4.96 117.16 110.11 1j0j n TYR 79 Ca 0.07 -1.29 -0.15 0.00 -0.01 0.00 0.00 57.90 56.52 1j0j n TYR 79 Cb 0.31 -0.28 -0.06 0.00 -0.02 0.00 0.00 39.34 39.29 1j0j n TYR 79 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1j0j n ARG 80 N -1.15 -1.04 -4.55 -0.72 1.74 -0.96 -4.97 116.66 105.01 1j0j n ARG 80 Ca 0.21 1.01 -0.24 0.00 -0.77 0.00 0.00 57.85 58.07 1j0j n ARG 80 Cb 0.77 -5.15 -0.14 0.00 -1.02 0.00 0.00 32.46 26.92 1j0j n ARG 80 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1j0j s ARG 81 N -3.31 1.26 -0.17 5.56 0.52 -1.26 -2.16 118.95 119.38 1j0j s ARG 81 Ca 0.00 -0.91 -0.15 0.00 -0.52 0.00 0.00 55.73 54.15 1j0j s ARG 81 Cb 0.00 -1.36 0.05 0.00 0.52 0.00 0.00 34.95 34.16 1j0j s ARG 81 CO 0.00 0.34 0.46 -1.17 0.02 0.00 0.00 175.30 174.95 1j0j s LEU 82 N -1.21 0.19 -0.06 2.53 2.96 -0.98 -4.38 118.68 117.72 1j0j s LEU 82 Ca 0.06 0.93 0.05 0.00 -0.22 0.00 0.00 54.13 54.95 1j0j s LEU 82 Cb -0.09 1.56 -0.00 0.00 0.50 0.00 0.00 46.19 48.16 1j0j s LEU 82 CO 0.02 -0.16 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.55 1j0j s ARG 83 N 0.41 2.19 0.15 1.98 1.81 -0.20 -1.65 118.95 123.64 1j0j s ARG 83 Ca -0.01 -0.72 -0.13 0.00 -1.72 0.00 0.00 55.73 53.15 1j0j s ARG 83 Cb -0.04 -1.83 0.01 0.00 -0.45 0.00 0.00 34.95 32.65 1j0j s ARG 83 CO -0.01 0.25 0.37 1.52 -0.68 0.00 0.00 175.30 176.75 1j0j s TYR 84 N 0.08 0.06 0.08 -0.53 1.13 -0.88 -1.82 117.35 115.46 1j0j s TYR 84 Ca -0.07 -0.41 0.01 0.00 -1.41 0.00 0.00 57.07 55.18 1j0j s TYR 84 Cb -0.14 0.15 -0.00 0.00 -1.10 0.00 0.00 41.96 40.87 1j0j s TYR 84 CO 0.04 -0.75 0.08 0.41 -2.51 0.00 0.00 175.55 172.82 1j0j n GLY 85 N -0.23 3.45 2.87 5.49 0.00 0.99 -1.29 105.19 116.48 1j0j n GLY 85 Ca -0.11 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.14 1j0j n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j0j s PHE 86 N -3.15 0.28 -0.29 1.61 0.08 -0.60 -0.96 117.98 114.95 1j0j s PHE 86 Ca 0.08 -0.02 -0.06 0.00 0.12 0.00 0.00 56.93 57.04 1j0j s PHE 86 Cb 0.00 -0.29 0.01 0.00 -0.57 0.00 0.00 43.02 42.18 1j0j s PHE 86 CO 0.06 -0.07 0.06 0.08 -0.10 0.00 0.00 175.22 175.25 1j0j s VAL 87 N 0.47 3.80 -0.21 -0.44 1.01 -0.09 -0.07 120.40 124.87 1j0j s VAL 87 Ca -0.05 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 1j0j s VAL 87 Cb -0.07 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1j0j s VAL 87 CO -0.01 0.09 0.09 -0.76 0.00 0.00 0.00 175.10 174.51 1j0j s LEU 88 N 1.47 3.82 0.02 3.92 1.02 0.58 -1.22 118.68 128.30 1j0j s LEU 88 Ca 0.02 0.04 0.06 0.00 0.02 0.00 0.00 54.13 54.27 1j0j s LEU 88 Cb -0.17 -1.99 -0.03 0.00 0.02 0.00 0.00 46.19 44.02 1j0j s LEU 88 CO 0.01 0.11 -0.14 -0.31 0.02 0.00 0.00 176.35 176.05 1j0j s TYR 89 N 0.74 2.67 -0.34 0.29 1.51 -0.79 -2.11 117.35 119.32 1j0j s TYR 89 Ca 0.05 -0.18 0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1j0j s TYR 89 Cb -0.13 -1.52 0.14 0.00 -0.11 0.00 0.00 41.96 40.34 1j0j s TYR 89 CO 0.02 0.28 0.27 0.45 -1.11 0.00 0.00 175.55 175.46 1j0j s SER 90 N -1.37 2.24 -0.79 2.29 0.15 -1.15 -1.20 113.70 113.86 1j0j s SER 90 Ca 0.15 -1.69 -0.03 0.00 0.70 0.00 0.00 55.95 55.08 1j0j s SER 90 Cb -0.11 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 1j0j s SER 90 CO 0.06 -0.32 0.39 0.61 1.20 0.00 0.00 173.24 175.18 1j0j n GLY 91 N 4.41 0.08 3.22 9.45 0.00 -1.26 -3.11 105.19 117.97 1j0j n GLY 91 Ca 0.08 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 1j0j n GLY 91 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j0j n GLU 92 N -2.55 -6.49 -3.91 1.61 -0.58 -1.26 -5.01 120.64 102.45 1j0j n GLU 92 Ca -0.05 0.70 -0.35 0.00 -0.42 0.00 0.00 57.16 57.04 1j0j n GLU 92 Cb 0.56 -5.33 -0.14 0.00 -0.57 0.00 0.00 31.44 25.96 1j0j n GLU 92 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1j0j s GLU 93 N -5.93 2.69 0.62 3.49 0.41 -1.18 -5.10 118.70 113.69 1j0j s GLU 93 Ca 0.41 -1.09 -0.15 0.00 -0.41 0.00 0.00 54.97 53.73 1j0j s GLU 93 Cb -0.18 -3.12 -0.02 0.00 -1.78 0.00 0.00 34.13 29.03 1j0j s GLU 93 CO 0.61 -0.50 1.06 0.15 -0.49 0.00 0.00 175.26 176.09 1j0j s LYS 94 N 1.31 3.18 -0.30 1.61 1.02 -1.26 -2.94 119.74 122.36 1j0j s LYS 94 Ca -0.02 1.17 -0.12 0.00 0.02 0.00 0.00 55.97 57.02 1j0j s LYS 94 Cb -0.18 -2.01 0.16 0.00 -0.52 0.00 0.00 37.83 35.27 1j0j s LYS 94 CO -0.02 -0.92 0.85 -1.17 -0.92 0.00 0.00 175.35 173.17 1j0j s LEU 95 N -4.75 -0.82 -0.26 3.17 1.98 -0.90 -4.89 118.68 112.21 1j0j s LEU 95 Ca 0.63 1.03 -0.10 0.00 -2.89 0.00 0.00 54.13 52.80 1j0j s LEU 95 Cb -0.16 1.90 -0.05 0.00 0.66 0.00 0.00 46.19 48.54 1j0j s LEU 95 CO 0.41 -0.16 0.16 -0.69 -1.89 0.00 0.00 176.35 174.18 1j0j s VAL 96 N 2.67 5.12 -0.23 1.68 1.01 0.73 -0.30 120.40 131.07 1j0j s VAL 96 Ca -0.02 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 1j0j s VAL 96 Cb -0.09 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1j0j s VAL 96 CO -0.18 0.29 0.12 -0.47 0.00 0.00 0.00 175.10 174.86 1j0j s TYR 97 N 1.55 3.23 0.26 5.22 5.04 0.90 -0.94 117.35 132.61 1j0j s TYR 97 Ca 0.07 0.01 0.05 0.00 -2.44 0.00 0.00 57.07 54.76 1j0j s TYR 97 Cb -0.15 -2.23 -0.02 0.00 0.35 0.00 0.00 41.96 39.91 1j0j s TYR 97 CO 0.08 -0.05 0.18 0.25 -1.34 0.00 0.00 175.55 174.68 1j0j n THR 98 N 4.36 0.00 0.26 4.34 -2.24 -0.43 -1.55 114.28 119.02 1j0j n THR 98 Ca -0.16 -1.79 0.15 0.00 -2.27 0.00 0.00 64.05 59.98 1j0j n THR 98 Cb 0.52 0.83 0.53 0.00 -2.10 0.00 0.00 70.33 70.11 1j0j n THR 98 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1j0j h GLU 99 N 0.00 0.00 -0.79 -0.78 4.81 -0.57 -2.99 114.58 114.26 1j0j h GLU 99 Ca -0.19 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.74 1j0j h GLU 99 Cb 0.89 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.09 1j0j h GLU 99 CO 0.28 0.03 0.36 1.63 -0.73 0.00 0.00 179.01 180.58 1j0j n LYS 100 N -3.12 3.20 0.00 1.92 5.02 -0.96 -5.02 118.16 119.19 1j0j n LYS 100 Ca 0.01 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.23 1j0j n LYS 100 Cb 0.38 -2.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 1j0j n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j0j n GLY 101 N -0.50 -1.81 3.89 0.72 0.00 -1.13 -5.01 105.19 101.35 1j0j n GLY 101 Ca 0.46 -2.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.25 1j0j n GLY 101 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j0j s PHE 102 N 0.00 3.31 0.20 1.61 0.40 -1.26 -1.31 117.98 120.93 1j0j s PHE 102 Ca 0.00 -0.01 -0.06 0.00 -0.60 0.00 0.00 56.93 56.26 1j0j s PHE 102 Cb 0.00 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.97 1j0j s PHE 102 CO 0.00 0.49 0.26 0.71 0.70 0.00 0.00 175.22 177.38 1j0j s TYR 103 N -1.93 0.77 -0.13 0.36 1.51 -0.12 -4.95 117.35 112.87 1j0j s TYR 103 Ca 0.33 -1.07 0.13 0.00 -1.01 0.00 0.00 57.07 55.45 1j0j s TYR 103 Cb -0.09 -0.24 -0.24 0.00 -0.11 0.00 0.00 41.96 41.28 1j0j s TYR 103 CO 0.27 -0.75 0.34 1.19 -1.11 0.00 0.00 175.55 175.49 1j0j n PHE 104 N -0.28 0.53 -4.38 2.71 3.01 -1.26 -0.19 117.46 117.60 1j0j n PHE 104 Ca -0.01 0.18 -0.26 0.00 1.01 0.00 0.00 57.45 58.37 1j0j n PHE 104 Cb 0.64 -1.09 -0.12 0.00 -0.01 0.00 0.00 39.48 38.90 1j0j n PHE 104 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1j0j s GLU 105 N -2.54 1.39 0.07 -1.08 0.41 -1.26 -4.50 118.70 111.19 1j0j s GLU 105 Ca -0.10 -1.41 -0.31 0.00 -0.41 0.00 0.00 54.97 52.75 1j0j s GLU 105 Cb 0.07 -1.70 -0.07 0.00 -1.78 0.00 0.00 34.13 30.65 1j0j s GLU 105 CO 0.81 0.38 1.44 0.08 -0.49 0.00 0.00 175.26 177.48 1j0j s VAL 106 N -1.51 3.38 0.53 2.63 1.01 -1.26 -4.88 120.40 120.29 1j0j s VAL 106 Ca 0.16 0.91 -0.20 0.00 0.00 0.00 0.00 61.98 62.85 1j0j s VAL 106 Cb -0.08 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 1j0j s VAL 106 CO 0.07 0.04 1.12 -2.84 0.00 0.00 0.00 175.10 173.49 1j0j s PRO 107 N 1.76 3.46 0.00 2.72 0.02 -1.26 -4.94 135.00 136.76 1j0j s PRO 107 Ca 0.66 1.60 0.00 0.00 0.02 0.00 0.00 61.00 63.28 1j0j s PRO 107 Cb -0.36 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.10 1j0j s PRO 107 CO 0.29 -0.76 0.00 0.25 -0.33 0.00 0.00 177.00 176.45 1j0j n THR 108 N -1.16 0.00 0.37 0.99 -2.24 -1.26 -4.88 114.28 106.09 1j0j n THR 108 Ca 0.11 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.01 1j0j n THR 108 Cb 0.51 0.55 0.19 0.00 -2.10 0.00 0.00 70.33 69.48 1j0j n THR 108 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1j0j h ASP 109 N 0.00 0.00 -3.69 3.42 2.03 -1.92 -2.78 116.42 113.47 1j0j h ASP 109 Ca 0.00 -0.05 -0.12 0.00 -0.73 0.00 0.00 57.03 56.13 1j0j h ASP 109 Cb 0.00 0.00 -0.25 0.00 -0.83 0.00 0.00 39.33 38.25 1j0j h ASP 109 CO 0.00 0.03 -0.25 -0.62 -1.03 0.00 0.00 179.24 177.36 1j0j s ASP 110 N -5.17 -0.45 0.00 4.15 2.15 -1.26 -4.90 116.67 111.18 1j0j s ASP 110 Ca 0.06 0.85 0.27 0.00 0.43 0.00 0.00 52.55 54.16 1j0j s ASP 110 Cb 0.10 0.82 1.54 0.00 -0.30 0.00 0.00 42.92 45.08 1j0j s ASP 110 CO 0.69 -0.16 2.00 0.35 -0.17 0.00 0.00 175.17 177.89 1j0j n THR 111 N 3.27 0.01 0.61 1.71 -2.24 -1.26 -3.80 114.28 112.58 1j0j n THR 111 Ca -0.16 -0.04 0.11 0.00 -2.27 0.00 0.00 64.05 61.69 1j0j n THR 111 Cb 0.57 -0.31 0.45 0.00 -2.10 0.00 0.00 70.33 68.94 1j0j n THR 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j0j n ALA 112 N -0.77 1.95 0.20 6.98 0.00 -1.26 -2.53 120.51 125.07 1j0j n ALA 112 Ca 0.20 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.70 1j0j n ALA 112 Cb 0.13 -1.38 0.30 0.00 0.00 0.00 0.00 19.45 18.50 1j0j n ALA 112 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1j0j h TYR 113 N 0.00 0.00 -3.57 0.00 -1.99 -1.99 -3.44 116.97 105.98 1j0j h TYR 113 Ca 0.00 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.21 1j0j h TYR 113 Cb 0.44 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.15 1j0j h TYR 113 CO 0.00 0.29 -0.01 0.71 -0.00 0.00 0.00 178.16 179.15 1j0j s TYR 114 N -3.41 3.41 0.97 4.88 1.51 -1.05 0.13 117.35 123.79 1j0j s TYR 114 Ca 0.02 1.05 -0.11 0.00 -1.01 0.00 0.00 57.07 57.02 1j0j s TYR 114 Cb 0.09 -2.40 0.18 0.00 -0.11 0.00 0.00 41.96 39.72 1j0j s TYR 114 CO 0.67 0.19 1.09 -0.06 -1.11 0.00 0.00 175.55 176.33 1j0j s PHE 115 N -1.88 1.85 -0.08 2.71 0.08 -0.41 -4.63 117.98 115.62 1j0j s PHE 115 Ca 0.50 1.40 -0.08 0.00 0.12 0.00 0.00 56.93 58.87 1j0j s PHE 115 Cb -0.11 -3.19 0.02 0.00 -0.57 0.00 0.00 43.02 39.17 1j0j s PHE 115 CO 0.19 -2.92 0.23 0.00 -0.10 0.00 0.00 175.22 172.63 1j0j s PHE 117 N -0.08 2.74 0.29 0.00 5.36 -0.66 -4.87 117.98 120.76 1j0j s PHE 117 Ca -0.02 -2.91 -0.03 0.00 -0.96 0.00 0.00 56.93 53.01 1j0j s PHE 117 Cb -0.02 -2.36 0.62 0.00 -0.34 0.00 0.00 43.02 40.91 1j0j s PHE 117 CO 0.01 -0.72 1.57 -1.00 -1.46 0.00 0.00 175.22 173.62 1j0j h PRO 118 N 6.27 0.01 -1.69 10.12 0.13 -1.92 -2.61 132.00 142.30 1j0j h PRO 118 Ca 0.02 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.19 1j0j h PRO 118 Cb 0.87 -0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.77 1j0j h PRO 118 CO 0.61 0.01 0.42 0.12 -0.23 0.00 0.00 178.00 178.92 1j0j s PHE 119 N -6.11 -0.49 -0.42 1.56 5.36 -1.26 -4.39 117.98 112.23 1j0j s PHE 119 Ca -0.14 0.99 -0.19 0.00 -0.96 0.00 0.00 56.93 56.63 1j0j s PHE 119 Cb 0.28 0.40 0.02 0.00 -0.34 0.00 0.00 43.02 43.38 1j0j s PHE 119 CO 0.78 -0.36 0.53 -0.51 -1.46 0.00 0.00 175.22 174.20 1j0j s LEU 120 N -0.61 4.66 -0.19 6.12 1.43 -0.92 -5.03 118.68 124.14 1j0j s LEU 120 Ca -0.02 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.57 1j0j s LEU 120 Cb -0.02 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 1j0j s LEU 120 CO 0.01 -0.65 -0.01 -1.00 0.23 0.00 0.00 176.35 174.93 1j0j s HIS 121 N 2.45 3.04 0.26 0.29 3.76 -1.26 -4.98 115.29 118.83 1j0j s HIS 121 Ca 0.17 -0.45 -0.03 0.00 -0.15 0.00 0.00 55.06 54.60 1j0j s HIS 121 Cb -0.16 -2.07 0.40 0.00 1.11 0.00 0.00 32.58 31.87 1j0j s HIS 121 CO 0.16 -0.22 1.85 -0.09 -0.85 0.00 0.00 174.74 175.59 1j0j h ARG 122 N 7.40 0.98 0.00 1.40 2.43 -1.94 -1.87 114.38 122.78 1j0j h ARG 122 Ca -0.35 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1j0j h ARG 122 Cb 1.18 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1j0j h ARG 122 CO 0.61 0.65 -0.02 -0.24 -1.51 0.00 0.00 179.97 179.46 1j0j h VAL 123 N 1.01 0.11 -0.02 0.20 3.04 -2.01 -2.10 116.25 116.48 1j0j h VAL 123 Ca 0.42 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.86 1j0j h VAL 123 Cb 0.26 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 1j0j h VAL 123 CO -0.20 0.02 -0.24 0.47 -1.01 0.00 0.00 177.57 176.61 1j0j n ASP 124 N -3.21 2.13 -4.76 3.17 8.00 -0.72 -4.96 116.55 116.21 1j0j n ASP 124 Ca -0.02 -1.58 -0.41 0.00 0.71 0.00 0.00 54.79 53.50 1j0j n ASP 124 Cb 0.17 0.22 0.01 0.00 -0.02 0.00 0.00 41.12 41.50 1j0j n ASP 124 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1j0j n LEU 125 N 0.35 4.67 -4.76 0.64 7.94 -0.79 -4.90 117.00 120.14 1j0j n LEU 125 Ca 0.12 1.18 -0.39 0.00 -1.11 0.00 0.00 56.01 55.82 1j0j n LEU 125 Cb 0.48 -1.59 -0.05 0.00 0.53 0.00 0.00 43.42 42.79 1j0j n LEU 125 CO 0.22 -0.08 0.70 0.12 -1.11 0.00 0.00 177.39 177.25 1j0j s PHE 126 N -1.14 3.71 -0.29 1.96 2.19 -1.26 -4.90 117.98 118.24 1j0j s PHE 126 Ca 0.56 1.79 -0.01 0.00 0.33 0.00 0.00 56.93 59.60 1j0j s PHE 126 Cb -0.48 -3.08 0.18 0.00 -1.31 0.00 0.00 43.02 38.33 1j0j s PHE 126 CO 0.61 -0.04 0.55 -2.00 1.83 0.00 0.00 175.22 176.17 1j0j s GLU 127 N -1.62 0.52 0.03 10.12 2.12 -1.26 -5.01 118.70 123.59 1j0j s GLU 127 Ca 0.46 0.91 -0.01 0.00 0.36 0.00 0.00 54.97 56.69 1j0j s GLU 127 Cb -0.26 0.33 -0.04 0.00 0.26 0.00 0.00 34.13 34.43 1j0j s GLU 127 CO 0.32 -0.62 0.19 0.00 -0.54 0.00 0.00 175.26 174.61 1j0j s ALA 128 N 2.79 3.95 -0.15 6.30 0.00 -1.26 -4.97 121.76 128.41 1j0j s ALA 128 Ca 0.19 -0.82 -0.36 0.00 0.00 0.00 0.00 51.96 50.98 1j0j s ALA 128 Cb -0.15 -1.82 -0.13 0.00 0.00 0.00 0.00 23.12 21.02 1j0j s ALA 128 CO -0.20 0.78 1.84 -0.35 0.00 0.00 0.00 175.76 177.83 1j0j n PRO 129 N 0.63 1.85 -0.22 0.00 -0.04 -1.26 -4.85 135.00 131.10 1j0j n PRO 129 Ca -0.08 0.68 0.23 0.00 -0.04 0.00 0.00 63.50 64.29 1j0j n PRO 129 Cb 0.52 -2.47 0.60 0.00 -0.04 0.00 0.00 33.50 32.11 1j0j n PRO 129 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1j0j h ASP 130 N 8.55 0.24 -0.24 3.54 1.82 -1.95 -2.83 116.42 125.55 1j0j h ASP 130 Ca -0.48 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.16 1j0j h ASP 130 Cb 1.29 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 41.27 1j0j h ASP 130 CO 0.95 0.09 0.07 4.11 -1.61 0.00 0.00 179.24 182.85 1j0j h TRP 131 N 0.24 0.47 -0.93 0.28 5.08 -1.96 -2.59 115.95 116.53 1j0j h TRP 131 Ca 0.46 -0.03 0.04 0.00 1.08 0.00 0.00 58.89 60.45 1j0j h TRP 131 Cb 1.42 -0.14 -0.06 0.00 -3.00 0.00 0.00 29.16 27.38 1j0j h TRP 131 CO -0.00 0.42 0.61 -0.39 -1.28 0.00 0.00 178.44 177.79 1j0j h VAL 132 N 0.46 1.13 -1.24 0.12 -1.51 -1.88 -1.76 116.25 111.56 1j0j h VAL 132 Ca 0.11 -0.39 0.36 0.00 -1.23 0.00 0.00 66.70 65.55 1j0j h VAL 132 Cb 0.19 -0.10 -0.05 0.00 -2.13 0.00 0.00 31.29 29.20 1j0j h VAL 132 CO -0.00 0.21 0.92 0.11 -1.23 0.00 0.00 177.57 177.57 1j0j h LYS 133 N 1.13 0.00 -0.08 5.19 1.57 -1.64 0.45 116.57 123.19 1j0j h LYS 133 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1j0j h LYS 133 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1j0j h LYS 133 CO -0.12 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.51 1j0j n ASP 134 N -4.09 2.42 -4.86 0.86 8.00 -0.69 -4.61 116.55 113.58 1j0j n ASP 134 Ca 0.27 -1.69 -0.31 0.00 0.71 0.00 0.00 54.79 53.77 1j0j n ASP 134 Cb 1.33 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 42.36 1j0j n ASP 134 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1j0j s THR 135 N -1.25 4.69 -0.23 -3.53 2.01 0.16 -4.99 115.64 112.49 1j0j s THR 135 Ca 0.20 0.85 -0.03 0.00 0.31 0.00 0.00 61.69 63.03 1j0j s THR 135 Cb 0.13 -3.76 0.07 0.00 0.01 0.00 0.00 72.50 68.96 1j0j s THR 135 CO 0.20 -0.71 0.06 -0.69 -0.69 0.00 0.00 174.62 172.78 1j0j s VAL 136 N -2.63 0.51 0.59 3.82 1.01 -1.26 -4.16 120.40 118.27 1j0j s VAL 136 Ca 0.54 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 1j0j s VAL 136 Cb -0.10 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1j0j s VAL 136 CO 0.36 -0.38 0.95 0.26 0.00 0.00 0.00 175.10 176.29 1j0j s TRP 137 N 1.84 3.51 -0.27 5.22 0.52 -0.79 -2.27 118.94 126.70 1j0j s TRP 137 Ca 0.03 1.02 -0.03 0.00 0.02 0.00 0.00 56.10 57.14 1j0j s TRP 137 Cb -0.17 -2.64 0.09 0.00 -1.15 0.00 0.00 33.47 29.60 1j0j s TRP 137 CO -0.15 -0.65 0.11 -0.47 0.02 0.00 0.00 176.95 175.80 1j0j s TYR 138 N -3.05 0.74 -0.01 -1.98 6.14 -0.37 -0.47 117.35 118.36 1j0j s TYR 138 Ca 0.53 -1.05 -0.30 0.00 0.64 0.00 0.00 57.07 56.89 1j0j s TYR 138 Cb -0.11 -1.11 -0.04 0.00 0.42 0.00 0.00 41.96 41.12 1j0j s TYR 138 CO 0.50 -0.79 1.18 -1.14 0.64 0.00 0.00 175.55 175.94 1j0j s GLN 139 N 1.95 4.39 -0.07 4.97 0.74 0.57 -2.93 119.66 129.28 1j0j s GLN 139 Ca 0.08 1.68 0.04 0.00 0.05 0.00 0.00 55.36 57.21 1j0j s GLN 139 Cb -0.16 -3.48 -0.01 0.00 1.10 0.00 0.00 33.01 30.45 1j0j s GLN 139 CO -0.28 -0.35 -0.20 0.42 -0.55 0.00 0.00 175.29 174.32 1j0j s ILE 140 N 1.75 2.51 -0.78 -2.34 1.01 0.15 -2.12 121.20 121.37 1j0j s ILE 140 Ca 0.56 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 60.19 1j0j s ILE 140 Cb -0.26 -1.96 0.20 0.00 0.01 0.00 0.00 42.46 40.45 1j0j s ILE 140 CO 0.25 0.57 0.70 0.12 0.00 0.00 0.00 174.94 176.57 1j0j s PHE 141 N -0.18 3.68 0.17 3.97 5.36 -1.26 -2.54 117.98 127.19 1j0j s PHE 141 Ca -0.02 -2.08 -0.07 0.00 -0.96 0.00 0.00 56.93 53.80 1j0j s PHE 141 Cb -0.14 -3.72 0.25 0.00 -0.34 0.00 0.00 43.02 39.08 1j0j s PHE 141 CO 0.03 -0.97 1.02 -2.30 -1.46 0.00 0.00 175.22 171.55 1j0j n PRO 142 N 3.96 -0.09 0.23 10.12 -0.02 -1.26 -0.35 135.00 147.59 1j0j n PRO 142 Ca 0.11 1.02 0.14 0.00 -2.02 0.00 0.00 63.50 62.75 1j0j n PRO 142 Cb 0.45 -1.52 0.73 0.00 -0.02 0.00 0.00 33.50 33.14 1j0j n PRO 142 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1j0j h GLU 143 N 0.00 0.00 0.00 -0.52 4.22 -1.82 -3.03 114.58 113.43 1j0j h GLU 143 Ca 0.29 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.73 1j0j h GLU 143 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1j0j h GLU 143 CO -0.67 0.00 0.00 0.54 -2.18 0.00 0.00 179.01 176.70 1j0j n ARG 144 N -2.51 2.10 -0.05 1.92 5.12 0.53 -2.33 116.66 121.44 1j0j n ARG 144 Ca -0.02 -1.20 -0.02 0.00 -1.93 0.00 0.00 57.85 54.68 1j0j n ARG 144 Cb 0.15 -0.85 -0.01 0.00 -1.16 0.00 0.00 32.46 30.59 1j0j n ARG 144 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1j0j h PHE 145 N 0.00 0.00 -2.05 -1.55 3.57 -1.44 0.33 116.94 115.79 1j0j h PHE 145 Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1j0j h PHE 145 Cb 0.65 0.00 -0.20 0.00 2.79 0.00 0.00 35.95 39.19 1j0j h PHE 145 CO 0.00 0.00 0.14 0.00 -2.23 0.00 0.00 178.31 176.22 1j0j s ALA 146 N -2.67 -1.72 -1.08 2.41 0.00 -1.26 -4.11 121.76 113.33 1j0j s ALA 146 Ca -0.06 1.62 -0.09 0.00 0.00 0.00 0.00 51.96 53.43 1j0j s ALA 146 Cb 0.01 -0.57 0.27 0.00 0.00 0.00 0.00 23.12 22.83 1j0j s ALA 146 CO 0.09 -0.35 1.06 1.21 0.00 0.00 0.00 175.76 177.77 1j0j s ASN 147 N -0.42 7.17 0.00 0.00 2.47 -1.26 -1.36 114.94 121.55 1j0j s ASN 147 Ca -0.06 -3.55 0.27 0.00 0.42 0.00 0.00 52.86 49.94 1j0j s ASN 147 Cb -0.03 -2.18 1.44 0.00 -1.45 0.00 0.00 41.25 39.03 1j0j s ASN 147 CO 0.05 -0.30 1.92 0.61 -3.72 0.00 0.00 177.10 175.67 1j0j n GLY 148 N 2.75 -1.05 3.00 1.21 0.00 -1.26 -4.48 105.19 105.35 1j0j n GLY 148 Ca 0.23 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 1j0j n GLY 148 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j0j s ASN 149 N -2.36 -0.33 0.25 1.61 2.47 -1.26 -4.74 114.94 110.57 1j0j s ASN 149 Ca 0.31 -0.39 0.00 0.00 0.42 0.00 0.00 52.86 53.19 1j0j s ASN 149 Cb 0.18 1.41 0.30 0.00 -1.45 0.00 0.00 41.25 41.69 1j0j s ASN 149 CO 0.37 -0.31 1.65 -0.65 -3.72 0.00 0.00 177.10 174.44 1j0j h PRO 150 N 7.87 0.55 -1.13 0.43 0.11 -1.90 -3.21 132.00 134.72 1j0j h PRO 150 Ca -0.03 -0.24 0.31 0.00 0.11 0.00 0.00 66.00 66.15 1j0j h PRO 150 Cb 1.14 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 1j0j h PRO 150 CO 0.21 0.80 0.77 0.66 -0.21 0.00 0.00 178.00 180.23 1j0j h SER 151 N 0.47 0.21 -0.49 -2.05 4.64 -1.98 0.20 113.55 114.54 1j0j h SER 151 Ca 0.06 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1j0j h SER 151 Cb 0.78 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1j0j h SER 151 CO 0.06 0.03 0.00 2.30 -0.87 0.00 0.00 176.83 178.35 1j0j n ILE 152 N -4.41 2.45 -2.62 0.95 -5.35 -1.21 -4.96 119.36 104.22 1j0j n ILE 152 Ca 0.26 -1.50 -0.41 0.00 -0.27 0.00 0.00 62.75 60.83 1j0j n ILE 152 Cb 1.09 -0.19 -0.04 0.00 -1.74 0.00 0.00 39.64 38.76 1j0j n ILE 152 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1j0j s SER 153 N -1.13 7.39 0.55 7.28 0.01 0.70 -4.35 113.70 124.14 1j0j s SER 153 Ca 0.50 1.97 -0.20 0.00 1.31 0.00 0.00 55.95 59.53 1j0j s SER 153 Cb 0.38 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.93 1j0j s SER 153 CO 0.15 -0.13 0.87 -2.65 0.41 0.00 0.00 173.24 171.90 1j0j n PRO 154 N 2.43 0.92 -2.00 12.44 -0.02 -1.26 -4.88 135.00 142.62 1j0j n PRO 154 Ca 0.02 0.35 -0.40 0.00 -2.02 0.00 0.00 63.50 61.44 1j0j n PRO 154 Cb 0.47 -2.03 -0.01 0.00 -0.02 0.00 0.00 33.50 31.92 1j0j n PRO 154 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1j0j s GLU 155 N -2.41 4.14 0.00 -0.52 2.02 -1.26 -2.04 118.70 118.63 1j0j s GLU 155 Ca 0.71 2.30 0.00 0.00 0.02 0.00 0.00 54.97 58.00 1j0j s GLU 155 Cb -0.46 -2.93 0.00 0.00 0.10 0.00 0.00 34.13 30.84 1j0j s GLU 155 CO 0.51 -0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.80 1j0j n GLY 156 N 0.66 0.95 3.60 -1.39 0.00 -1.26 -5.02 105.19 102.73 1j0j n GLY 156 Ca 0.02 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.52 1j0j n GLY 156 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j0j n SER 157 N 0.00 1.79 -4.88 1.61 7.64 -0.87 -4.77 113.62 114.15 1j0j n SER 157 Ca 0.00 1.11 -0.30 0.00 1.01 0.00 0.00 58.87 60.69 1j0j n SER 157 Cb 0.00 -1.20 -0.03 0.00 -1.01 0.00 0.00 64.21 61.97 1j0j n SER 157 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1j0j s ARG 158 N 0.73 3.75 -0.21 1.43 1.81 -0.42 -4.95 118.95 121.08 1j0j s ARG 158 Ca 0.85 0.38 -0.36 0.00 -1.72 0.00 0.00 55.73 54.88 1j0j s ARG 158 Cb -0.94 -2.44 -0.12 0.00 -0.45 0.00 0.00 34.95 30.99 1j0j s ARG 158 CO 0.47 0.01 1.94 -2.30 -0.68 0.00 0.00 175.30 174.74 1j0j n PRO 159 N -1.23 1.62 -1.15 3.54 -0.02 -1.26 -4.67 135.00 131.83 1j0j n PRO 159 Ca 0.02 0.56 -0.47 0.00 -2.02 0.00 0.00 63.50 61.59 1j0j n PRO 159 Cb 0.54 -2.48 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 1j0j n PRO 159 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1j0j n TRP 160 N 7.32 1.14 -1.58 6.00 -0.00 -1.26 -1.58 117.44 127.48 1j0j n TRP 160 Ca 0.29 0.75 -0.16 0.00 -0.00 0.00 0.00 57.50 58.37 1j0j n TRP 160 Cb 0.24 -1.59 -0.06 0.00 -0.00 0.00 0.00 31.31 29.90 1j0j n TRP 160 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1j0j n GLY 161 N 3.42 1.39 0.09 5.87 0.00 -1.26 -4.90 105.19 109.80 1j0j n GLY 161 Ca 0.26 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1j0j n GLY 161 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j0j n SER 162 N -0.70 0.35 -4.54 1.61 3.41 -0.62 -4.96 113.62 108.17 1j0j n SER 162 Ca -0.17 0.16 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 1j0j n SER 162 Cb 0.55 0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 64.99 1j0j n SER 162 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1j0j s GLU 163 N -2.55 1.84 0.44 4.33 2.02 -1.26 -5.11 118.70 118.41 1j0j s GLU 163 Ca -0.08 -1.83 -0.22 0.00 0.02 0.00 0.00 54.97 52.86 1j0j s GLU 163 Cb 0.07 -1.79 -0.09 0.00 0.10 0.00 0.00 34.13 32.43 1j0j s GLU 163 CO 0.83 0.21 1.05 -0.51 0.02 0.00 0.00 175.26 176.86 1j0j s ASP 164 N -3.60 6.56 0.39 -0.19 1.01 -1.26 -4.91 116.67 114.67 1j0j s ASP 164 Ca 0.32 2.01 -0.26 0.00 0.71 0.00 0.00 52.55 55.33 1j0j s ASP 164 Cb -0.01 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 1j0j s ASP 164 CO 0.17 -0.63 1.27 -2.84 0.21 0.00 0.00 175.17 173.35 1j0j s PRO 165 N -2.79 4.06 0.34 8.23 0.02 -1.26 -5.03 135.00 138.57 1j0j s PRO 165 Ca 0.62 2.10 0.10 0.00 0.02 0.00 0.00 61.00 63.83 1j0j s PRO 165 Cb -0.20 -2.80 -0.06 0.00 0.02 0.00 0.00 34.50 31.45 1j0j s PRO 165 CO 0.25 -0.40 -0.08 0.95 -0.33 0.00 0.00 177.00 177.40 1j0j s THR 166 N -1.27 2.35 0.04 0.99 -4.23 -1.26 -4.61 115.64 107.65 1j0j s THR 166 Ca 0.55 -2.17 0.30 0.00 -1.18 0.00 0.00 61.69 59.19 1j0j s THR 166 Cb -0.37 -2.66 0.30 0.00 1.34 0.00 0.00 72.50 71.12 1j0j s THR 166 CO 0.47 -0.21 1.91 -0.65 -0.54 0.00 0.00 174.62 175.60 1j0j h PRO 167 N 1.99 0.00 0.00 3.99 0.11 -1.96 -3.02 132.00 133.11 1j0j h PRO 167 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1j0j h PRO 167 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1j0j h PRO 167 CO 0.69 0.00 -0.01 0.25 -0.21 0.00 0.00 178.00 178.71 1j0j n THR 168 N -2.57 0.78 -2.22 -1.15 -2.24 -1.26 -4.69 114.28 100.94 1j0j n THR 168 Ca -0.01 -0.81 -0.28 0.00 -2.27 0.00 0.00 64.05 60.67 1j0j n THR 168 Cb 0.10 0.57 0.02 0.00 -2.10 0.00 0.00 70.33 68.92 1j0j n THR 168 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1j0j s SER 169 N -0.89 5.82 0.02 3.42 1.04 -1.14 -4.95 113.70 117.02 1j0j s SER 169 Ca 0.02 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.45 1j0j s SER 169 Cb 0.02 -2.02 -0.02 0.00 0.10 0.00 0.00 66.02 64.10 1j0j s SER 169 CO 0.00 -0.99 -0.03 -0.36 0.98 0.00 0.00 173.24 172.84 1j0j s PHE 170 N -3.06 0.25 0.00 5.02 0.08 -1.26 -4.76 117.98 114.25 1j0j s PHE 170 Ca 0.54 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 57.12 1j0j s PHE 170 Cb -0.11 -0.18 0.00 0.00 -0.57 0.00 0.00 43.02 42.17 1j0j s PHE 170 CO 0.48 -0.16 0.23 1.19 -0.10 0.00 0.00 175.22 176.86 1j0j n PHE 171 N 1.76 0.00 -0.36 0.36 3.01 -1.26 -1.31 117.46 119.67 1j0j n PHE 171 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.23 1j0j n PHE 171 Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 1j0j n PHE 171 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j0j n GLY 172 N 0.15 0.80 3.78 1.37 0.00 -1.26 -4.62 105.19 105.41 1j0j n GLY 172 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1j0j n GLY 172 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j0j s GLY 173 N -2.20 2.96 0.17 -0.02 0.00 -0.98 -4.25 107.32 103.00 1j0j s GLY 173 Ca 0.00 1.47 -0.10 0.00 0.00 0.00 0.00 44.72 46.09 1j0j s GLY 173 CO 0.00 2.14 0.32 0.51 0.00 0.00 0.00 173.10 176.08 1j0j s ASP 174 N -0.27 -0.00 0.37 1.64 1.47 -0.46 -4.36 116.67 115.06 1j0j s ASP 174 Ca 0.52 -0.84 0.06 0.00 1.18 0.00 0.00 52.55 53.46 1j0j s ASP 174 Cb -0.44 0.46 0.75 0.00 -0.34 0.00 0.00 42.92 43.35 1j0j s ASP 174 CO 0.60 -0.93 1.98 -0.07 0.68 0.00 0.00 175.17 177.42 1j0j h LEU 175 N 2.48 0.64 -1.34 2.11 3.38 -1.29 -1.18 115.31 120.11 1j0j h LEU 175 Ca -0.31 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.70 1j0j h LEU 175 Cb 1.23 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1j0j h LEU 175 CO 0.46 0.42 0.48 -0.61 0.09 0.00 0.00 178.44 179.28 1j0j h GLN 176 N 0.73 0.81 -0.67 1.13 5.75 -1.91 -2.18 115.11 118.78 1j0j h GLN 176 Ca 0.28 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.68 1j0j h GLN 176 Cb 0.19 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 1j0j h GLN 176 CO -0.09 0.54 0.20 0.78 -2.65 0.00 0.00 178.83 177.61 1j0j h GLY 177 N 0.84 1.12 1.41 2.39 0.00 -1.37 -0.99 103.07 106.46 1j0j h GLY 177 Ca 0.30 -0.67 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1j0j h GLY 177 CO -0.09 0.63 0.17 -2.22 0.00 0.00 0.00 176.54 175.03 1j0j h ILE 178 N 0.97 1.20 -0.39 2.60 2.04 -1.34 -1.90 117.51 120.70 1j0j h ILE 178 Ca 0.21 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 1j0j h ILE 178 Cb 0.31 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1j0j h ILE 178 CO -0.01 0.25 0.08 0.40 0.00 0.00 0.00 178.15 178.88 1j0j h ILE 179 N 0.74 1.23 0.00 -0.67 2.04 -0.95 -2.55 117.51 117.35 1j0j h ILE 179 Ca 0.17 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1j0j h ILE 179 Cb 0.20 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1j0j h ILE 179 CO -0.01 0.28 0.00 0.44 0.00 0.00 0.00 178.15 178.86 1j0j h ASP 180 N 0.48 0.00 0.00 1.72 3.32 -0.39 -2.92 116.42 118.63 1j0j h ASP 180 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1j0j h ASP 180 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1j0j h ASP 180 CO 0.00 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.93 1j0j n HIS 181 N -2.45 0.00 -0.20 4.55 8.25 -1.02 -4.73 115.22 119.62 1j0j n HIS 181 Ca -0.01 -0.33 0.28 0.00 -0.26 0.00 0.00 57.72 57.40 1j0j n HIS 181 Cb 0.07 -0.03 0.70 0.00 1.12 0.00 0.00 29.99 31.85 1j0j n HIS 181 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1j0j h LEU 182 N 0.00 0.05 -0.75 2.41 3.38 -1.26 0.17 115.31 119.30 1j0j h LEU 182 Ca 0.00 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1j0j h LEU 182 Cb 0.33 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1j0j h LEU 182 CO 0.00 0.02 -0.06 0.44 0.09 0.00 0.00 178.44 178.93 1j0j h ASP 183 N 0.05 0.87 -0.95 -0.43 3.32 -1.85 0.22 116.42 117.65 1j0j h ASP 183 Ca 0.45 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 57.30 1j0j h ASP 183 Cb 1.71 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 40.97 1j0j h ASP 183 CO -0.03 0.97 0.61 0.22 -1.72 0.00 0.00 179.24 179.29 1j0j h TYR 184 N 0.81 1.14 -0.11 4.55 3.20 -1.02 0.21 116.97 125.75 1j0j h TYR 184 Ca 0.14 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.85 1j0j h TYR 184 Cb 0.56 -0.37 0.01 0.00 1.54 0.00 0.00 36.73 38.47 1j0j h TYR 184 CO 0.03 0.61 -0.68 -0.07 -1.64 0.00 0.00 178.16 176.42 1j0j h LEU 185 N 1.14 0.78 -0.89 2.82 3.38 -1.23 -1.72 115.31 119.59 1j0j h LEU 185 Ca 0.40 -0.66 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1j0j h LEU 185 Cb 0.11 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1j0j h LEU 185 CO -0.15 1.31 0.54 0.58 0.09 0.00 0.00 178.44 180.81 1j0j h VAL 186 N 0.30 1.24 -0.56 1.22 2.07 -0.16 -0.89 116.25 119.48 1j0j h VAL 186 Ca -0.05 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 1j0j h VAL 186 Cb 1.32 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1j0j h VAL 186 CO 0.14 0.26 0.17 -0.78 0.02 0.00 0.00 177.57 177.38 1j0j h ASP 187 N 1.22 0.78 -0.72 0.57 3.58 -0.54 -2.77 116.42 118.54 1j0j h ASP 187 Ca 0.32 -0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.60 1j0j h ASP 187 Cb -0.06 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.76 1j0j h ASP 187 CO -0.06 0.74 0.29 0.25 -2.88 0.00 0.00 179.24 177.57 1j0j h LEU 188 N 0.82 1.00 0.00 2.28 5.85 -0.24 -3.46 115.31 121.56 1j0j h LEU 188 Ca 0.19 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1j0j h LEU 188 Cb 0.25 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1j0j h LEU 188 CO -0.01 0.90 0.00 0.61 -0.34 0.00 0.00 178.44 179.60 1j0j n GLY 189 N -0.92 1.08 3.76 3.75 0.00 -0.71 -4.32 105.19 107.84 1j0j n GLY 189 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1j0j n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j0j s ILE 190 N -2.00 2.08 -0.06 -0.61 -1.09 -0.84 -4.86 121.20 113.83 1j0j s ILE 190 Ca 0.00 0.08 0.13 0.00 -2.23 0.00 0.00 60.65 58.62 1j0j s ILE 190 Cb 0.00 -3.05 0.24 0.00 -1.58 0.00 0.00 42.46 38.07 1j0j s ILE 190 CO 0.00 0.01 1.11 0.35 -1.23 0.00 0.00 174.94 175.19 1j0j n THR 191 N 1.45 0.74 -3.65 2.92 -2.24 -0.96 -4.62 114.28 107.92 1j0j n THR 191 Ca 0.05 -1.25 0.01 0.00 -2.27 0.00 0.00 64.05 60.59 1j0j n THR 191 Cb 0.38 0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.91 1j0j n THR 191 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1j0j s GLY 192 N -2.01 0.56 -0.11 3.38 0.00 -1.22 -3.02 107.32 104.89 1j0j s GLY 192 Ca 0.22 3.76 0.03 0.00 0.00 0.00 0.00 44.72 48.72 1j0j s GLY 192 CO -0.05 2.59 -0.20 -0.42 0.00 0.00 0.00 173.10 175.02 1j0j s ILE 193 N 0.83 2.42 -0.27 0.90 1.01 0.18 -1.23 121.20 125.04 1j0j s ILE 193 Ca -0.05 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 1j0j s ILE 193 Cb -0.03 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.49 1j0j s ILE 193 CO -0.11 0.55 0.01 -0.47 0.00 0.00 0.00 174.94 174.92 1j0j s TYR 194 N 0.34 3.10 -0.13 3.97 5.04 -1.15 -0.21 117.35 128.31 1j0j s TYR 194 Ca -0.16 -1.20 -0.07 0.00 -2.44 0.00 0.00 57.07 53.20 1j0j s TYR 194 Cb -0.17 -2.16 -0.04 0.00 0.35 0.00 0.00 41.96 39.93 1j0j s TYR 194 CO 0.08 -0.63 0.12 -0.51 -1.34 0.00 0.00 175.55 173.26 1j0j s LEU 195 N 1.43 4.22 0.85 6.97 1.43 -0.10 -0.68 118.68 132.81 1j0j s LEU 195 Ca 0.02 0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 53.37 1j0j s LEU 195 Cb -0.17 -2.03 0.10 0.00 0.03 0.00 0.00 46.19 44.12 1j0j s LEU 195 CO -0.01 0.36 1.12 0.42 0.23 0.00 0.00 176.35 178.48 1j0j s THR 196 N -0.74 2.47 0.01 5.49 -4.23 -1.05 -2.66 115.64 114.92 1j0j s THR 196 Ca 0.13 0.15 -0.21 0.00 -1.18 0.00 0.00 61.69 60.58 1j0j s THR 196 Cb -0.12 -2.93 -0.11 0.00 1.34 0.00 0.00 72.50 70.68 1j0j s THR 196 CO 0.03 -0.20 0.56 -2.65 -0.54 0.00 0.00 174.62 171.82 1j0j n PRO 197 N -3.56 0.00 0.00 3.99 -0.02 -1.26 -4.61 135.00 129.54 1j0j n PRO 197 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1j0j n PRO 197 Cb 0.58 -0.79 0.00 0.00 -0.02 0.00 0.00 33.50 33.27 1j0j n PRO 197 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1j0j n ILE 198 N 0.76 0.00 -1.90 4.25 -5.35 -1.26 -4.76 119.36 111.10 1j0j n ILE 198 Ca 0.11 -0.29 -0.31 0.00 -0.27 0.00 0.00 62.75 61.99 1j0j n ILE 198 Cb 0.05 1.20 0.01 0.00 -1.74 0.00 0.00 39.64 39.16 1j0j n ILE 198 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1j0j s PHE 199 N -0.30 3.47 -0.22 4.28 0.08 -1.26 -0.38 117.98 123.66 1j0j s PHE 199 Ca 0.00 1.35 -0.41 0.00 0.12 0.00 0.00 56.93 58.00 1j0j s PHE 199 Cb 0.00 -2.77 -0.17 0.00 -0.57 0.00 0.00 43.02 39.51 1j0j s PHE 199 CO 0.00 -0.76 1.58 -2.13 -0.10 0.00 0.00 175.22 173.81 1j0j n ARG 200 N -2.61 0.86 -3.50 0.44 0.63 0.17 -4.26 116.66 108.40 1j0j n ARG 200 Ca 0.06 0.31 -0.15 0.00 -0.92 0.00 0.00 57.85 57.16 1j0j n ARG 200 Cb 0.54 -1.94 -0.05 0.00 0.45 0.00 0.00 32.46 31.46 1j0j n ARG 200 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1j0j s SER 201 N 2.52 -0.58 0.03 6.15 0.15 -1.26 -0.20 113.70 120.50 1j0j s SER 201 Ca 0.96 0.46 -0.18 0.00 0.70 0.00 0.00 55.95 57.89 1j0j s SER 201 Cb -1.14 0.51 -0.25 0.00 -1.71 0.00 0.00 66.02 63.43 1j0j s SER 201 CO 0.64 -0.66 1.10 1.55 1.20 0.00 0.00 173.24 177.06 1j0j h PRO 202 N 2.64 0.51 -7.17 5.44 0.13 -1.94 -3.47 132.00 128.14 1j0j h PRO 202 Ca -0.27 -0.60 -0.42 0.00 -0.87 0.00 0.00 66.00 63.83 1j0j h PRO 202 Cb 1.19 0.18 0.20 0.00 0.13 0.00 0.00 31.00 32.71 1j0j h PRO 202 CO 0.37 1.23 0.01 -1.54 -0.23 0.00 0.00 178.00 177.84 1j0j s SER 203 N -7.04 0.71 0.32 1.44 1.04 -1.26 -4.95 113.70 103.96 1j0j s SER 203 Ca -0.12 1.25 0.21 0.00 0.48 0.00 0.00 55.95 57.77 1j0j s SER 203 Cb 0.04 -1.91 0.16 0.00 0.10 0.00 0.00 66.02 64.41 1j0j s SER 203 CO 0.87 -4.33 1.36 -0.55 0.98 0.00 0.00 173.24 171.57 1j0j h ASN 204 N -2.71 0.00 0.64 7.02 7.08 -1.85 -3.31 115.58 122.45 1j0j h ASN 204 Ca -0.57 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.65 1j0j h ASN 204 Cb 1.34 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.58 1j0j h ASN 204 CO 0.47 0.12 -1.23 0.00 -2.08 0.00 0.00 177.43 174.70 1j0j n HIS 205 N -2.98 0.58 -1.62 4.14 1.44 -1.26 -4.62 115.22 110.90 1j0j n HIS 205 Ca 0.01 0.17 -0.15 0.00 -2.01 0.00 0.00 57.72 55.74 1j0j n HIS 205 Cb 0.59 -0.73 -0.05 0.00 0.12 0.00 0.00 29.99 29.91 1j0j n HIS 205 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1j0j n LYS 206 N -2.41 -1.10 -0.02 -1.40 4.01 -1.25 -4.44 118.16 111.55 1j0j n LYS 206 Ca -0.00 0.98 0.13 0.00 -0.51 0.00 0.00 58.31 58.90 1j0j n LYS 206 Cb 0.53 -5.17 0.58 0.00 -0.51 0.00 0.00 35.03 30.45 1j0j n LYS 206 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1j0j n TYR 207 N -2.86 0.06 -3.32 2.13 4.01 -1.26 -4.13 117.16 111.79 1j0j n TYR 207 Ca -0.16 -0.03 -0.31 0.00 -0.16 0.00 0.00 57.90 57.25 1j0j n TYR 207 Cb 0.53 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.50 1j0j n TYR 207 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1j0j n ASP 208 N -0.16 4.40 -4.60 7.72 5.75 -1.26 -4.75 116.55 123.65 1j0j n ASP 208 Ca 0.19 -3.45 -0.52 0.00 -0.01 0.00 0.00 54.79 51.00 1j0j n ASP 208 Cb 0.26 -0.81 -0.06 0.00 -1.03 0.00 0.00 41.12 39.48 1j0j n ASP 208 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1j0j n THR 209 N 0.93 0.02 -0.11 2.12 -1.04 -1.26 -4.06 114.28 110.88 1j0j n THR 209 Ca 0.29 -0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.17 1j0j n THR 209 Cb 0.39 -0.86 -0.14 0.00 -1.82 0.00 0.00 70.33 67.90 1j0j n THR 209 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j0j n ALA 210 N 2.74 1.48 -3.31 2.41 0.00 0.72 0.32 120.51 124.87 1j0j n ALA 210 Ca 0.19 -1.24 -0.00 0.00 0.00 0.00 0.00 53.44 52.39 1j0j n ALA 210 Cb 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 1j0j n ALA 210 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1j0j s ASP 211 N -5.89 -0.97 0.08 0.00 3.68 -1.10 -4.08 116.67 108.38 1j0j s ASP 211 Ca -0.20 0.89 0.16 0.00 2.13 0.00 0.00 52.55 55.53 1j0j s ASP 211 Cb 0.07 1.95 0.70 0.00 -1.45 0.00 0.00 42.92 44.19 1j0j s ASP 211 CO 0.73 -0.26 1.51 -1.22 0.13 0.00 0.00 175.17 176.07 1j0j n TYR 212 N 5.42 0.23 0.20 -5.34 4.02 -1.26 -3.01 117.16 117.42 1j0j n TYR 212 Ca -0.04 0.09 0.12 0.00 -0.01 0.00 0.00 57.90 58.06 1j0j n TYR 212 Cb 0.50 -0.65 0.23 0.00 -0.02 0.00 0.00 39.34 39.40 1j0j n TYR 212 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1j0j n PHE 213 N -1.71 0.56 -4.10 -0.72 3.01 -1.26 -4.94 117.46 108.29 1j0j n PHE 213 Ca 0.03 -0.29 -0.14 0.00 1.01 0.00 0.00 57.45 58.06 1j0j n PHE 213 Cb 0.18 -0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.51 1j0j n PHE 213 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 1j0j s GLU 214 N -1.40 0.40 0.32 -1.08 -1.05 -1.16 -5.06 118.70 109.66 1j0j s GLU 214 Ca 0.39 -0.32 -0.29 0.00 -0.15 0.00 0.00 54.97 54.61 1j0j s GLU 214 Cb 0.23 -0.32 -0.10 0.00 -0.44 0.00 0.00 34.13 33.50 1j0j s GLU 214 CO 0.31 0.08 1.21 0.08 0.95 0.00 0.00 175.26 177.89 1j0j s VAL 215 N -0.46 3.06 0.24 1.83 1.01 -1.26 0.44 120.40 125.25 1j0j s VAL 215 Ca -0.02 1.06 -0.31 0.00 0.00 0.00 0.00 61.98 62.70 1j0j s VAL 215 Cb -0.04 -3.67 -0.12 0.00 0.00 0.00 0.00 36.38 32.55 1j0j s VAL 215 CO -0.00 0.24 1.66 -0.67 0.00 0.00 0.00 175.10 176.33 1j0j n ASP 216 N 0.89 3.87 -0.07 3.32 2.03 0.49 -4.32 116.55 122.76 1j0j n ASP 216 Ca -0.00 1.10 0.18 0.00 0.52 0.00 0.00 54.79 56.58 1j0j n ASP 216 Cb 0.43 -1.57 0.61 0.00 -0.72 0.00 0.00 41.12 39.87 1j0j n ASP 216 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1j0j h PRO 217 N 5.93 0.18 0.00 -0.67 0.11 -1.91 -0.30 132.00 135.35 1j0j h PRO 217 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1j0j h PRO 217 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1j0j h PRO 217 CO 0.89 0.12 0.00 0.72 -0.21 0.00 0.00 178.00 179.52 1j0j n HIS 218 N -4.42 0.92 -0.06 0.65 8.25 -1.26 -3.20 115.22 116.10 1j0j n HIS 218 Ca 0.12 0.30 -0.10 0.00 -0.26 0.00 0.00 57.72 57.77 1j0j n HIS 218 Cb 0.57 -0.99 -0.15 0.00 1.12 0.00 0.00 29.99 30.54 1j0j n HIS 218 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1j0j n PHE 219 N -2.28 0.52 -0.86 4.41 3.72 -0.18 -4.65 117.46 118.13 1j0j n PHE 219 Ca 0.04 0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 1j0j n PHE 219 Cb 0.36 -1.09 0.00 0.00 -0.94 0.00 0.00 39.48 37.81 1j0j n PHE 219 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j0j n GLY 220 N 1.70 0.43 3.37 1.37 0.00 -0.86 -0.82 105.19 110.38 1j0j n GLY 220 Ca -0.26 -1.52 -0.27 0.00 0.00 0.00 0.00 46.02 43.97 1j0j n GLY 220 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j0j n ASP 221 N 0.00 1.84 0.25 1.61 5.68 -1.26 -4.13 116.55 120.54 1j0j n ASP 221 Ca 0.00 -3.14 0.09 0.00 -0.50 0.00 0.00 54.79 51.23 1j0j n ASP 221 Cb 0.00 0.82 0.64 0.00 -1.14 0.00 0.00 41.12 41.44 1j0j n ASP 221 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1j0j h LYS 222 N 0.00 0.00 -0.23 0.11 1.57 -1.98 -1.95 116.57 114.10 1j0j h LYS 222 Ca -0.34 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1j0j h LYS 222 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1j0j h LYS 222 CO 0.55 0.12 0.08 1.49 -0.57 0.00 0.00 179.45 181.12 1j0j h GLU 223 N 0.00 0.35 -0.45 3.15 4.81 -2.00 -1.98 114.58 118.46 1j0j h GLU 223 Ca -0.00 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 1j0j h GLU 223 Cb 0.25 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1j0j h GLU 223 CO 0.02 0.43 -0.06 1.15 -0.73 0.00 0.00 179.01 179.81 1j0j h THR 224 N 0.21 1.27 -0.68 0.32 2.02 -1.80 -2.00 112.91 112.25 1j0j h THR 224 Ca 0.08 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 1j0j h THR 224 Cb 0.21 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1j0j h THR 224 CO -0.00 0.40 0.38 0.25 0.37 0.00 0.00 175.52 176.92 1j0j h LEU 225 N 0.68 0.82 0.62 2.58 5.85 -1.33 -0.38 115.31 124.15 1j0j h LEU 225 Ca 0.12 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1j0j h LEU 225 Cb 0.59 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1j0j h LEU 225 CO 0.04 0.65 -0.32 0.50 -0.34 0.00 0.00 178.44 178.96 1j0j h LYS 226 N 0.93 -0.83 -0.60 1.25 1.63 -1.06 -1.07 116.57 116.83 1j0j h LYS 226 Ca 0.24 0.06 0.12 0.00 -0.85 0.00 0.00 60.65 60.22 1j0j h LYS 226 Cb 0.00 0.19 -0.11 0.00 -0.60 0.00 0.00 32.23 31.71 1j0j h LYS 226 CO -0.04 -0.56 -0.11 1.15 -3.45 0.00 0.00 179.45 176.44 1j0j h THR 227 N -0.87 0.43 0.78 1.00 2.02 -0.73 -0.02 112.91 115.52 1j0j h THR 227 Ca -0.08 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 1j0j h THR 227 Cb 0.68 0.40 0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1j0j h THR 227 CO 0.12 0.01 -0.37 0.25 0.37 0.00 0.00 175.52 175.89 1j0j h LEU 228 N 0.03 -0.88 -1.16 2.58 5.85 -0.91 -0.80 115.31 120.02 1j0j h LEU 228 Ca 0.30 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.16 1j0j h LEU 228 Cb 0.46 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.65 1j0j h LEU 228 CO -0.59 -0.61 0.60 0.40 -0.34 0.00 0.00 178.44 177.89 1j0j h ILE 229 N -1.07 0.90 -0.23 4.05 2.04 -0.79 0.03 117.51 122.44 1j0j h ILE 229 Ca -0.11 -0.29 -0.15 0.00 1.00 0.00 0.00 64.86 65.31 1j0j h ILE 229 Cb 0.80 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1j0j h ILE 229 CO 0.17 0.16 -0.46 0.44 0.00 0.00 0.00 178.15 178.46 1j0j h ASP 230 N 0.86 0.80 0.11 1.72 3.32 -0.90 -2.26 116.42 120.07 1j0j h ASP 230 Ca 0.46 -0.55 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 1j0j h ASP 230 Cb 0.54 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1j0j h ASP 230 CO -0.22 1.20 -0.37 0.03 -1.72 0.00 0.00 179.24 178.16 1j0j h ARG 231 N 0.44 0.36 0.64 3.56 3.08 -0.54 -0.06 114.38 121.85 1j0j h ARG 231 Ca 0.01 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 1j0j h ARG 231 Cb 1.06 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.11 1j0j h ARG 231 CO 0.10 0.68 -0.31 0.00 -1.07 0.00 0.00 179.97 179.37 1j0j h HIS 233 N -0.96 0.86 -0.55 0.00 3.86 -1.25 0.51 115.15 117.64 1j0j h HIS 233 Ca -0.09 0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.20 1j0j h HIS 233 Cb 0.69 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 1j0j h HIS 233 CO -0.01 0.15 0.36 0.93 0.86 0.00 0.00 177.93 180.22 1j0j h GLU 234 N 0.63 0.56 -0.71 2.45 5.08 -0.75 -0.68 114.58 121.17 1j0j h GLU 234 Ca 0.53 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1j0j h GLU 234 Cb 0.85 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1j0j h GLU 234 CO -0.41 0.37 0.00 1.63 -1.00 0.00 0.00 179.01 179.60 1j0j n LYS 235 N -4.47 2.77 -2.68 2.33 5.02 0.16 -4.95 118.16 116.33 1j0j n LYS 235 Ca 0.07 -2.59 -0.07 0.00 -2.02 0.00 0.00 58.31 53.70 1j0j n LYS 235 Cb 0.18 -1.59 0.03 0.00 -0.02 0.00 0.00 35.03 33.63 1j0j n LYS 235 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j0j n GLY 236 N 1.58 0.37 2.99 0.72 0.00 0.18 -5.05 105.19 105.97 1j0j n GLY 236 Ca 0.24 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 1j0j n GLY 236 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j0j s ILE 237 N -3.10 1.35 0.53 -0.61 1.01 -0.17 -4.68 121.20 115.52 1j0j s ILE 237 Ca 0.11 -0.51 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 1j0j s ILE 237 Cb -0.05 -1.29 -0.07 0.00 0.01 0.00 0.00 42.46 41.06 1j0j s ILE 237 CO 0.23 0.42 1.00 -0.13 0.00 0.00 0.00 174.94 176.45 1j0j s ARG 238 N 1.43 3.83 -0.07 2.79 1.81 -1.17 -3.05 118.95 124.52 1j0j s ARG 238 Ca 0.02 1.02 0.05 0.00 -1.72 0.00 0.00 55.73 55.10 1j0j s ARG 238 Cb -0.13 -2.12 -0.00 0.00 -0.45 0.00 0.00 34.95 32.25 1j0j s ARG 238 CO -0.08 -0.37 -0.23 0.08 -0.68 0.00 0.00 175.30 174.02 1j0j s VAL 239 N -2.56 1.95 -0.15 3.52 1.01 -1.26 0.49 120.40 123.41 1j0j s VAL 239 Ca 0.60 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 1j0j s VAL 239 Cb -0.11 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.63 1j0j s VAL 239 CO 0.31 0.54 -0.09 -0.32 0.00 0.00 0.00 175.10 175.54 1j0j s MET 240 N 0.09 1.77 0.60 2.72 1.75 0.71 0.63 119.30 127.56 1j0j s MET 240 Ca -0.10 -0.47 -0.03 0.00 -1.25 0.00 0.00 55.69 53.84 1j0j s MET 240 Cb -0.15 -1.93 0.03 0.00 2.84 0.00 0.00 34.83 35.62 1j0j s MET 240 CO 0.06 -0.32 0.86 -0.51 -0.65 0.00 0.00 175.02 174.46 1j0j s LEU 241 N 1.59 3.16 -0.21 4.11 1.43 -0.98 -0.92 118.68 126.85 1j0j s LEU 241 Ca 0.03 0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 53.35 1j0j s LEU 241 Cb -0.14 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1j0j s LEU 241 CO -0.09 -1.23 0.10 -0.62 0.23 0.00 0.00 176.35 174.74 1j0j s ASP 242 N -4.41 5.79 -0.38 2.29 3.68 -1.09 -1.91 116.67 120.65 1j0j s ASP 242 Ca 0.57 0.08 -0.11 0.00 2.13 0.00 0.00 52.55 55.21 1j0j s ASP 242 Cb -0.10 -2.02 0.03 0.00 -1.45 0.00 0.00 42.92 39.38 1j0j s ASP 242 CO 0.42 0.12 0.21 0.00 0.13 0.00 0.00 175.17 176.05 1j0j s ALA 243 N 0.71 3.28 -1.12 3.66 0.00 -0.01 -4.60 121.76 123.67 1j0j s ALA 243 Ca 0.05 -1.75 -0.08 0.00 0.00 0.00 0.00 51.96 50.18 1j0j s ALA 243 Cb -0.13 -2.61 0.28 0.00 0.00 0.00 0.00 23.12 20.66 1j0j s ALA 243 CO 0.02 -1.41 1.24 0.28 0.00 0.00 0.00 175.76 175.88 1j0j n VAL 244 N 5.00 4.74 0.39 0.00 0.31 -1.26 -1.00 118.33 126.51 1j0j n VAL 244 Ca -0.12 -5.46 0.11 0.00 -0.01 0.00 0.00 64.34 58.86 1j0j n VAL 244 Cb 0.46 -2.46 -0.02 0.00 -0.91 0.00 0.00 33.84 30.91 1j0j n VAL 244 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1j0j n PHE 245 N 2.54 0.34 -0.27 3.52 3.72 -1.26 -4.35 117.46 121.69 1j0j n PHE 245 Ca 0.26 0.10 -0.07 0.00 -0.05 0.00 0.00 57.45 57.69 1j0j n PHE 245 Cb 0.38 -0.53 0.06 0.00 -0.94 0.00 0.00 39.48 38.44 1j0j n PHE 245 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1j0j h ASN 246 N 0.00 1.09 -4.04 4.37 -1.24 -1.87 -3.43 115.58 110.47 1j0j h ASN 246 Ca 0.00 -0.21 -0.14 0.00 0.71 0.00 0.00 56.30 56.66 1j0j h ASN 246 Cb 0.82 -0.29 -0.24 0.00 0.73 0.00 0.00 38.32 39.35 1j0j h ASN 246 CO 0.00 1.01 -0.35 -1.38 -1.29 0.00 0.00 177.43 175.42 1j0j s HIS 247 N -5.43 -0.31 0.62 0.67 -3.43 -1.26 -0.46 115.29 105.70 1j0j s HIS 247 Ca -0.12 0.72 -0.01 0.00 -0.80 0.00 0.00 55.06 54.85 1j0j s HIS 247 Cb 0.15 0.11 0.13 0.00 -1.43 0.00 0.00 32.58 31.54 1j0j s HIS 247 CO 0.84 -0.20 0.86 0.00 -2.00 0.00 0.00 174.74 174.24 1j0j s GLY 249 N -4.72 1.77 0.23 0.00 0.00 0.15 -3.49 107.32 101.26 1j0j s GLY 249 Ca 0.56 -1.53 0.01 0.00 0.00 0.00 0.00 44.72 43.77 1j0j s GLY 249 CO 0.37 -1.05 1.56 -1.82 0.00 0.00 0.00 173.10 172.17 1j0j h TYR 250 N -0.40 0.48 -0.21 1.90 3.20 -1.67 -2.95 116.97 117.33 1j0j h TYR 250 Ca -0.39 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.31 1j0j h TYR 250 Cb 1.28 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.45 1j0j h TYR 250 CO -0.02 0.84 0.01 0.39 -1.64 0.00 0.00 178.16 177.74 1j0j n GLU 251 N -3.94 2.35 -2.74 1.82 1.02 -1.26 -4.42 120.64 113.47 1j0j n GLU 251 Ca -0.02 -1.11 -0.43 0.00 -0.02 0.00 0.00 57.16 55.58 1j0j n GLU 251 Cb 0.58 -1.76 -0.03 0.00 -0.02 0.00 0.00 31.44 30.21 1j0j n GLU 251 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1j0j s PHE 252 N -1.61 3.17 0.03 -0.32 5.36 -1.12 -4.70 117.98 118.80 1j0j s PHE 252 Ca 0.19 1.07 -0.05 0.00 -0.96 0.00 0.00 56.93 57.19 1j0j s PHE 252 Cb 0.15 -3.53 -0.01 0.00 -0.34 0.00 0.00 43.02 39.29 1j0j s PHE 252 CO 0.06 -0.70 0.61 0.00 -1.46 0.00 0.00 175.22 173.73 1j0j n ALA 253 N 6.64 -0.10 -0.16 11.12 0.00 -1.26 0.38 120.51 137.13 1j0j n ALA 253 Ca 0.09 0.14 0.28 0.00 0.00 0.00 0.00 53.44 53.95 1j0j n ALA 253 Cb 0.47 0.16 0.72 0.00 0.00 0.00 0.00 19.45 20.81 1j0j n ALA 253 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1j0j h PRO 254 N 0.00 0.00 0.11 0.00 0.11 -1.95 0.65 132.00 130.93 1j0j h PRO 254 Ca 0.03 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.87 1j0j h PRO 254 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1j0j h PRO 254 CO -0.15 0.00 -1.22 0.35 -0.21 0.00 0.00 178.00 176.77 1j0j h PHE 255 N 0.00 0.44 -0.25 0.65 3.57 -0.41 -2.89 116.94 118.06 1j0j h PHE 255 Ca 0.41 -0.32 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1j0j h PHE 255 Cb 1.71 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.42 1j0j h PHE 255 CO 0.00 1.25 -0.01 1.96 -2.23 0.00 0.00 178.31 179.28 1j0j h GLN 256 N 0.07 0.37 -0.13 1.11 1.08 0.00 -1.15 115.11 116.47 1j0j h GLN 256 Ca -0.12 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 56.92 1j0j h GLN 256 Cb 1.95 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.32 1j0j h GLN 256 CO 0.20 0.41 -0.26 0.22 -0.95 0.00 0.00 178.83 178.45 1j0j h ASP 257 N 0.36 0.46 0.14 1.46 -0.00 -1.39 -0.39 116.42 117.07 1j0j h ASP 257 Ca 0.08 -0.56 -0.02 0.00 -0.00 0.00 0.00 57.03 56.54 1j0j h ASP 257 Cb 0.27 -0.13 -0.00 0.00 -0.00 0.00 0.00 39.33 39.46 1j0j h ASP 257 CO 0.01 0.93 -0.08 0.58 -0.00 0.00 0.00 179.24 180.68 1j0j h VAL 258 N 0.01 0.81 0.15 2.25 2.07 -1.26 0.72 116.25 120.99 1j0j h VAL 258 Ca 0.00 -0.32 -0.31 0.00 0.82 0.00 0.00 66.70 66.90 1j0j h VAL 258 Cb 0.86 1.19 0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1j0j h VAL 258 CO 0.06 0.08 -1.30 -0.25 0.02 0.00 0.00 177.57 176.18 1j0j h TRP 259 N 0.00 1.00 0.12 1.57 2.91 -1.00 -1.98 115.95 118.57 1j0j h TRP 259 Ca -0.00 -0.65 -0.01 0.00 1.13 0.00 0.00 58.89 59.36 1j0j h TRP 259 Cb 0.18 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.76 1j0j h TRP 259 CO 0.00 1.49 -0.06 -0.22 -1.03 0.00 0.00 178.44 178.62 1j0j h LYS 260 N 0.25 -0.15 0.00 2.65 3.64 -0.13 -3.36 116.57 119.46 1j0j h LYS 260 Ca -0.20 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1j0j h LYS 260 Cb 1.98 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.83 1j0j h LYS 260 CO 0.25 -0.10 0.00 -0.91 -2.27 0.00 0.00 179.45 176.41 1j0j h ASN 261 N -0.57 0.00 0.00 4.20 4.21 -1.10 -3.49 115.58 118.83 1j0j h ASN 261 Ca -0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1j0j h ASN 261 Cb 0.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 1j0j h ASN 261 CO 0.03 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.78 1j0j n GLY 262 N 0.88 2.40 0.06 2.83 0.00 -0.74 -2.83 105.19 107.79 1j0j n GLY 262 Ca 0.04 -0.49 0.03 0.00 0.00 0.00 0.00 46.02 45.59 1j0j n GLY 262 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j0j n GLU 263 N 13.53 0.03 0.03 1.61 2.13 -1.26 -0.36 120.64 136.35 1j0j n GLU 263 Ca 0.00 0.40 -0.19 0.00 0.66 0.00 0.00 57.16 58.03 1j0j n GLU 263 Cb 0.00 -1.84 -0.14 0.00 0.27 0.00 0.00 31.44 29.73 1j0j n GLU 263 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1j0j h SER 264 N 0.00 0.40 -0.95 4.31 0.02 -1.90 -3.47 113.55 111.96 1j0j h SER 264 Ca 0.00 -0.95 -0.74 0.00 -0.84 0.00 0.00 61.79 59.26 1j0j h SER 264 Cb 0.46 -0.13 0.05 0.00 0.14 0.00 0.00 62.40 62.92 1j0j h SER 264 CO 0.00 1.32 0.02 -0.24 -1.14 0.00 0.00 176.83 176.79 1j0j n SER 265 N -4.21 -0.08 -0.02 3.07 2.88 0.51 -4.81 113.62 110.96 1j0j n SER 265 Ca -0.13 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1j0j n SER 265 Cb 0.76 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 1j0j n SER 265 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1j0j n LYS 266 N 1.40 0.74 0.00 -1.46 2.85 -1.26 -2.08 118.16 118.35 1j0j n LYS 266 Ca 0.19 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.49 1j0j n LYS 266 Cb 0.09 -1.02 0.01 0.00 -0.65 0.00 0.00 35.03 33.46 1j0j n LYS 266 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1j0j n TYR 267 N -0.47 0.00 -0.32 5.58 4.01 -1.26 -4.69 117.16 120.00 1j0j n TYR 267 Ca 0.00 0.00 0.23 0.00 -0.16 0.00 0.00 57.90 57.97 1j0j n TYR 267 Cb 0.01 0.00 0.46 0.00 -0.31 0.00 0.00 39.34 39.50 1j0j n TYR 267 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1j0j h LYS 268 N 1.20 0.17 0.00 -0.72 2.10 -1.73 0.33 116.57 117.93 1j0j h LYS 268 Ca 0.00 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 1j0j h LYS 268 Cb 0.31 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1j0j h LYS 268 CO 0.00 0.11 -0.08 0.22 -2.00 0.00 0.00 179.45 177.71 1j0j h ASP 269 N 0.18 0.00 0.00 7.07 3.58 -1.85 -3.25 116.42 122.15 1j0j h ASP 269 Ca 0.72 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.17 1j0j h ASP 269 Cb 1.70 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.75 1j0j h ASP 269 CO -0.70 0.08 0.07 -0.50 -2.88 0.00 0.00 179.24 175.31 1j0j h TRP 270 N 0.00 0.00 -3.87 0.28 4.06 -0.66 -3.44 115.95 112.32 1j0j h TRP 270 Ca -0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 1j0j h TRP 270 Cb 0.91 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.06 1j0j h TRP 270 CO 0.00 0.00 -0.02 1.19 -3.56 0.00 0.00 178.44 176.05 1j0j n PHE 271 N -2.89 0.04 -3.20 0.49 3.72 -1.23 -0.48 117.46 113.90 1j0j n PHE 271 Ca -0.03 -0.10 -0.32 0.00 -0.05 0.00 0.00 57.45 56.95 1j0j n PHE 271 Cb 0.13 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.62 1j0j n PHE 271 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1j0j n HIS 272 N -0.05 3.25 -3.30 1.38 8.25 -1.24 -4.67 115.22 118.84 1j0j n HIS 272 Ca -0.01 -3.59 -0.38 0.00 -0.26 0.00 0.00 57.72 53.48 1j0j n HIS 272 Cb 0.02 -0.79 -0.06 0.00 1.12 0.00 0.00 29.99 30.29 1j0j n HIS 272 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1j0j s ILE 273 N -2.92 5.11 -0.13 1.59 1.01 -1.26 -1.17 121.20 123.44 1j0j s ILE 273 Ca 0.38 1.02 -0.02 0.00 0.00 0.00 0.00 60.65 62.03 1j0j s ILE 273 Cb 0.14 -3.84 -0.25 0.00 0.01 0.00 0.00 42.46 38.53 1j0j s ILE 273 CO 0.00 0.37 0.34 1.41 0.00 0.00 0.00 174.94 177.06 1j0j n HIS 274 N 3.27 1.03 -3.70 3.97 8.25 -0.98 -4.99 115.22 122.08 1j0j n HIS 274 Ca -0.08 0.24 -0.14 0.00 -0.26 0.00 0.00 57.72 57.49 1j0j n HIS 274 Cb 0.52 -1.14 -0.09 0.00 1.12 0.00 0.00 29.99 30.39 1j0j n HIS 274 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1j0j s GLU 275 N -2.56 0.66 0.03 -0.41 -1.05 -1.25 -5.12 118.70 109.00 1j0j s GLU 275 Ca -0.20 0.36 -0.01 0.00 -0.15 0.00 0.00 54.97 54.96 1j0j s GLU 275 Cb 0.07 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 1j0j s GLU 275 CO 0.76 -0.14 0.19 -0.06 0.95 0.00 0.00 175.26 176.96 1j0j s PHE 276 N -0.40 3.52 0.64 4.83 0.08 -1.26 -4.28 117.98 121.10 1j0j s PHE 276 Ca -0.05 0.30 -0.01 0.00 0.12 0.00 0.00 56.93 57.28 1j0j s PHE 276 Cb -0.03 -1.79 0.07 0.00 -0.57 0.00 0.00 43.02 40.70 1j0j s PHE 276 CO 0.03 0.61 0.90 -1.25 -0.10 0.00 0.00 175.22 175.41 1j0j s PRO 277 N -2.21 2.15 0.67 0.24 0.04 -1.26 -5.06 135.00 129.58 1j0j s PRO 277 Ca 0.31 -0.82 -0.17 0.00 0.04 0.00 0.00 61.00 60.35 1j0j s PRO 277 Cb -0.13 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1j0j s PRO 277 CO 0.23 -1.08 1.27 -0.51 0.04 0.00 0.00 177.00 176.95 1j0j s LEU 278 N -4.98 3.51 0.00 -3.56 1.43 -1.26 -5.03 118.68 108.78 1j0j s LEU 278 Ca 0.61 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 56.26 1j0j s LEU 278 Cb -0.08 -4.61 0.00 0.00 0.03 0.00 0.00 46.19 41.52 1j0j s LEU 278 CO 0.42 -2.07 0.00 0.00 0.23 0.00 0.00 176.35 174.92 1j0j n GLN 279 N -2.11 0.00 0.00 1.70 -0.00 -1.26 -5.05 117.38 110.66 1j0j n GLN 279 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.15 1j0j n GLN 279 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.73 1j0j n GLN 279 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1j0j n THR 280 N 0.00 0.00 0.00 -0.39 -2.24 -1.26 -4.04 114.28 106.35 1j0j n THR 280 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1j0j n THR 280 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1j0j n THR 280 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1j0j n GLU 281 N 0.00 0.00 -0.31 -0.78 4.71 -1.26 -3.78 120.64 119.22 1j0j n GLU 281 Ca 0.00 0.05 -0.04 0.00 -0.01 0.00 0.00 57.16 57.16 1j0j n GLU 281 Cb 0.18 -0.83 0.08 0.00 -1.01 0.00 0.00 31.44 29.86 1j0j n GLU 281 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1j0j h PRO 282 N 0.00 1.14 -1.72 3.49 0.13 -2.07 -3.45 132.00 129.51 1j0j h PRO 282 Ca 0.00 -0.09 0.18 0.00 -0.87 0.00 0.00 66.00 65.22 1j0j h PRO 282 Cb 0.00 -0.25 -0.19 0.00 0.13 0.00 0.00 31.00 30.70 1j0j h PRO 282 CO 0.00 0.78 0.68 1.03 -0.23 0.00 0.00 178.00 180.26 1j0j s ARG 283 N -6.04 0.50 0.68 0.86 0.52 -1.25 -5.15 118.95 109.08 1j0j s ARG 283 Ca -0.13 -0.13 -0.17 0.00 -0.52 0.00 0.00 55.73 54.78 1j0j s ARG 283 Cb 0.16 0.23 0.01 0.00 0.52 0.00 0.00 34.95 35.87 1j0j s ARG 283 CO 0.80 -0.21 1.28 -2.14 0.02 0.00 0.00 175.30 175.06 1j0j s PRO 284 N -2.36 2.37 -0.53 3.54 0.02 -1.26 -4.32 135.00 132.45 1j0j s PRO 284 Ca 0.06 2.02 0.02 0.00 0.02 0.00 0.00 61.00 63.12 1j0j s PRO 284 Cb -0.01 -1.83 0.54 0.00 0.02 0.00 0.00 34.50 33.22 1j0j s PRO 284 CO -0.05 -1.73 1.90 0.27 -0.33 0.00 0.00 177.00 177.06 1j0j n ASN 285 N -2.17 5.59 -3.65 2.53 6.94 -1.26 -4.85 115.26 118.40 1j0j n ASN 285 Ca 0.16 -3.72 -0.15 0.00 -0.02 0.00 0.00 54.58 50.85 1j0j n ASN 285 Cb 0.48 -0.86 -0.08 0.00 -2.36 0.00 0.00 39.78 36.96 1j0j n ASN 285 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1j0j s TYR 286 N -3.56 -0.50 0.40 -2.53 1.13 -1.26 -2.32 117.35 108.70 1j0j s TYR 286 Ca 0.60 1.00 -0.27 0.00 -1.41 0.00 0.00 57.07 56.99 1j0j s TYR 286 Cb 0.48 0.25 -0.09 0.00 -1.10 0.00 0.00 41.96 41.50 1j0j s TYR 286 CO 0.04 -0.44 1.38 -0.51 -2.51 0.00 0.00 175.55 173.51 1j0j s ASP 287 N -0.73 6.30 0.31 -0.18 1.01 -0.31 -4.91 116.67 118.15 1j0j s ASP 287 Ca -0.08 2.82 0.03 0.00 0.71 0.00 0.00 52.55 56.04 1j0j s ASP 287 Cb -0.03 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 1j0j s ASP 287 CO 0.05 -0.88 0.16 0.42 0.21 0.00 0.00 175.17 175.14 1j0j s THR 288 N -1.19 0.31 -0.14 -1.27 -4.23 -1.26 -0.04 115.64 107.82 1j0j s THR 288 Ca 0.55 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.77 1j0j s THR 288 Cb -0.42 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 1j0j s THR 288 CO 0.55 0.00 1.26 0.12 -0.54 0.00 0.00 174.62 176.01 1j0j s PHE 289 N -3.60 2.91 0.00 3.99 5.36 0.21 -4.67 117.98 122.18 1j0j s PHE 289 Ca 0.36 1.04 0.00 0.00 -0.96 0.00 0.00 56.93 57.36 1j0j s PHE 289 Cb 0.05 -3.49 0.00 0.00 -0.34 0.00 0.00 43.02 39.23 1j0j s PHE 289 CO 0.18 -1.66 0.00 0.00 -1.46 0.00 0.00 175.22 172.28 1j0j n ALA 290 N 6.29 0.00 -2.74 11.12 0.00 -1.26 -1.51 120.51 132.41 1j0j n ALA 290 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.38 1j0j n ALA 290 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 1j0j n ALA 290 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1j0j n PHE 291 N 14.00 2.13 -3.66 0.00 3.01 -1.26 -5.02 117.46 126.66 1j0j n PHE 291 Ca 0.00 -3.26 -0.39 0.00 1.01 0.00 0.00 57.45 54.81 1j0j n PHE 291 Cb 0.00 -0.31 -0.10 0.00 -0.01 0.00 0.00 39.48 39.06 1j0j n PHE 291 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1j0j s VAL 292 N -3.96 3.87 0.29 -4.37 1.01 -0.57 -4.98 120.40 111.70 1j0j s VAL 292 Ca 0.39 -1.70 0.04 0.00 0.00 0.00 0.00 61.98 60.71 1j0j s VAL 292 Cb 0.39 -3.49 0.28 0.00 0.00 0.00 0.00 36.38 33.56 1j0j s VAL 292 CO -0.08 -0.61 1.74 -0.65 0.00 0.00 0.00 175.10 175.50 1j0j h PRO 293 N 8.29 0.59 0.00 2.72 0.11 -1.95 0.69 132.00 142.44 1j0j h PRO 293 Ca -0.19 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1j0j h PRO 293 Cb 1.07 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1j0j h PRO 293 CO 0.76 0.39 0.00 1.04 -0.21 0.00 0.00 178.00 179.97 1j0j n GLN 294 N -4.89 0.59 -3.31 1.05 3.00 -1.26 -3.98 117.38 108.58 1j0j n GLN 294 Ca 0.22 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.95 1j0j n GLN 294 Cb 0.58 -1.13 -0.08 0.00 0.00 0.00 0.00 30.24 29.60 1j0j n GLN 294 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1j0j n MET 295 N -0.63 1.06 -2.26 -1.09 2.81 0.23 -2.18 117.12 115.06 1j0j n MET 295 Ca 0.04 -3.58 -0.41 0.00 -1.81 0.00 0.00 57.70 51.93 1j0j n MET 295 Cb 0.02 -1.56 -0.03 0.00 -0.71 0.00 0.00 33.22 30.93 1j0j n MET 295 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1j0j s PRO 296 N -1.25 4.42 0.18 0.03 0.04 -1.23 -0.62 135.00 136.56 1j0j s PRO 296 Ca 0.35 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 63.10 1j0j s PRO 296 Cb 0.13 -3.20 -0.08 0.00 0.04 0.00 0.00 34.50 31.39 1j0j s PRO 296 CO -0.11 -0.20 1.31 0.21 0.04 0.00 0.00 177.00 178.25 1j0j s LYS 297 N -0.24 4.39 0.44 4.56 2.20 0.94 -2.15 119.74 129.87 1j0j s LYS 297 Ca 0.55 2.03 -0.18 0.00 -0.36 0.00 0.00 55.97 58.01 1j0j s LYS 297 Cb -0.36 -3.22 -0.09 0.00 -1.51 0.00 0.00 37.83 32.66 1j0j s LYS 297 CO 0.39 -0.27 0.91 -0.51 -0.36 0.00 0.00 175.35 175.50 1j0j s LEU 298 N 0.15 3.85 -1.01 5.43 1.43 0.39 -3.61 118.68 125.32 1j0j s LEU 298 Ca 0.58 1.54 -0.08 0.00 -1.03 0.00 0.00 54.13 55.13 1j0j s LEU 298 Cb -0.36 -4.41 0.25 0.00 0.03 0.00 0.00 46.19 41.71 1j0j s LEU 298 CO 0.36 -0.41 0.97 0.21 0.23 0.00 0.00 176.35 177.71 1j0j s ASN 299 N -2.57 6.91 0.00 2.29 2.47 0.36 -4.86 114.94 119.55 1j0j s ASN 299 Ca 0.59 -3.45 0.01 0.00 0.42 0.00 0.00 52.86 50.43 1j0j s ASN 299 Cb -0.10 -2.14 0.03 0.00 -1.45 0.00 0.00 41.25 37.59 1j0j s ASN 299 CO 0.21 -0.32 0.40 0.35 -3.72 0.00 0.00 177.10 174.02 1j0j n THR 300 N 2.87 0.00 -0.03 -5.21 -2.24 -1.26 -0.98 114.28 107.43 1j0j n THR 300 Ca 0.21 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.90 1j0j n THR 300 Cb 0.40 -0.85 -0.14 0.00 -2.10 0.00 0.00 70.33 67.63 1j0j n THR 300 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j0j n ALA 301 N -0.87 1.46 -1.87 6.98 0.00 -1.26 -4.53 120.51 120.43 1j0j n ALA 301 Ca 0.00 -0.80 -0.42 0.00 0.00 0.00 0.00 53.44 52.22 1j0j n ALA 301 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 1j0j n ALA 301 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1j0j s ASN 302 N -6.09 6.56 0.62 0.00 3.84 -0.15 -4.87 114.94 114.86 1j0j s ASN 302 Ca -0.06 2.51 0.33 0.00 0.21 0.00 0.00 52.86 55.85 1j0j s ASN 302 Cb 0.08 -2.55 1.86 0.00 -0.55 0.00 0.00 41.25 40.08 1j0j s ASN 302 CO 0.82 -0.94 2.16 1.55 -2.79 0.00 0.00 177.10 177.91 1j0j h PRO 303 N 8.92 0.00 0.06 0.43 0.13 -1.87 -0.67 132.00 139.00 1j0j h PRO 303 Ca -0.44 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 1j0j h PRO 303 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1j0j h PRO 303 CO 0.94 0.00 -0.60 0.93 -0.23 0.00 0.00 178.00 179.04 1j0j h GLU 304 N 0.00 0.30 -0.33 0.86 5.08 -1.94 -1.22 114.58 117.34 1j0j h GLU 304 Ca 0.04 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1j0j h GLU 304 Cb 0.33 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1j0j h GLU 304 CO -0.00 1.13 0.22 0.28 -1.00 0.00 0.00 179.01 179.63 1j0j h VAL 305 N -0.34 1.09 -0.79 3.13 2.07 -1.71 0.12 116.25 119.82 1j0j h VAL 305 Ca -0.09 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1j0j h VAL 305 Cb 1.39 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1j0j h VAL 305 CO 0.11 0.09 0.46 0.50 0.02 0.00 0.00 177.57 178.75 1j0j h LYS 306 N 0.44 1.08 -0.31 1.57 3.64 -1.19 0.50 116.57 122.30 1j0j h LYS 306 Ca 0.12 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 1j0j h LYS 306 Cb -0.04 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.55 1j0j h LYS 306 CO -0.03 0.77 -0.32 -0.09 -2.27 0.00 0.00 179.45 177.51 1j0j h ARG 307 N 1.09 0.77 0.82 1.90 9.65 -0.80 -2.22 114.38 125.59 1j0j h ARG 307 Ca 0.28 -0.41 -0.04 0.00 -1.10 0.00 0.00 59.98 58.71 1j0j h ARG 307 Cb -0.02 0.02 0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1j0j h ARG 307 CO -0.05 1.04 -0.39 -0.92 2.80 0.00 0.00 179.97 182.44 1j0j h TYR 308 N 0.53 -1.02 -0.95 2.20 5.03 -0.04 -0.36 116.97 122.35 1j0j h TYR 308 Ca 0.05 -0.02 0.15 0.00 2.58 0.00 0.00 58.73 61.48 1j0j h TYR 308 Cb 0.90 0.34 -0.09 0.00 1.55 0.00 0.00 36.73 39.42 1j0j h TYR 308 CO 0.07 -0.63 0.56 -0.07 -1.32 0.00 0.00 178.16 176.77 1j0j h LEU 309 N -1.13 0.76 -1.25 2.82 3.38 -1.01 0.22 115.31 119.10 1j0j h LEU 309 Ca -0.11 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1j0j h LEU 309 Cb 0.84 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1j0j h LEU 309 CO 0.18 0.34 -0.18 -0.07 0.09 0.00 0.00 178.44 178.80 1j0j h LEU 310 N 0.80 0.28 -0.35 1.67 3.38 -1.32 0.21 115.31 119.98 1j0j h LEU 310 Ca 0.51 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.30 1j0j h LEU 310 Cb 0.67 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1j0j h LEU 310 CO -0.33 0.48 -0.21 0.44 0.09 0.00 0.00 178.44 178.91 1j0j h ASP 311 N 0.27 0.80 -0.74 -0.43 3.32 0.11 -1.87 116.42 117.88 1j0j h ASP 311 Ca 0.05 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 1j0j h ASP 311 Cb 0.48 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1j0j h ASP 311 CO 0.03 1.04 0.43 0.58 -1.72 0.00 0.00 179.24 179.60 1j0j h VAL 312 N 0.55 1.22 0.16 -1.35 2.07 -0.53 0.36 116.25 118.74 1j0j h VAL 312 Ca 0.07 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1j0j h VAL 312 Cb 0.76 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1j0j h VAL 312 CO 0.06 0.23 -0.32 0.00 0.02 0.00 0.00 177.57 177.57 1j0j h ALA 313 N 1.22 -0.57 0.00 1.67 0.00 -0.32 -3.06 119.26 118.20 1j0j h ALA 313 Ca 0.26 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1j0j h ALA 313 Cb -0.00 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1j0j h ALA 313 CO -0.05 -0.87 -0.77 1.79 0.00 0.00 0.00 179.25 179.35 1j0j h THR 314 N -0.57 1.34 0.15 0.00 1.35 -1.23 -3.34 112.91 110.61 1j0j h THR 314 Ca 0.02 -2.85 0.00 0.00 -0.55 0.00 0.00 66.41 63.04 1j0j h THR 314 Cb 0.58 2.63 -0.02 0.00 -1.73 0.00 0.00 68.15 69.61 1j0j h THR 314 CO -0.16 0.75 -0.29 0.22 -0.25 0.00 0.00 175.52 175.80 1j0j h TYR 315 N 0.00 -0.81 -0.34 4.73 3.20 -0.17 1.00 116.97 124.58 1j0j h TYR 315 Ca -0.01 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.98 1j0j h TYR 315 Cb 1.57 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 40.16 1j0j h TYR 315 CO 0.00 -0.34 0.27 -1.49 -1.64 0.00 0.00 178.16 174.96 1j0j h TRP 316 N -0.47 0.00 0.16 -3.82 4.06 -1.71 0.21 115.95 114.37 1j0j h TRP 316 Ca -0.02 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 1j0j h TRP 316 Cb 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.60 1j0j h TRP 316 CO -0.30 0.00 -0.07 0.82 -3.56 0.00 0.00 178.44 175.33 1j0j h ILE 317 N 0.00 0.96 -0.00 1.49 2.04 -1.56 -0.74 117.51 119.69 1j0j h ILE 317 Ca 0.16 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.00 1j0j h ILE 317 Cb 0.70 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1j0j h ILE 317 CO -0.00 0.22 -0.04 0.03 0.00 0.00 0.00 178.15 178.36 1j0j h ARG 318 N -0.75 -0.07 0.00 2.37 3.08 0.32 0.23 114.38 119.56 1j0j h ARG 318 Ca -0.02 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.85 1j0j h ARG 318 Cb 0.52 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1j0j h ARG 318 CO 0.04 -0.05 -0.85 0.93 -1.07 0.00 0.00 179.97 178.97 1j0j h GLU 319 N -0.07 0.00 0.00 0.04 3.07 -0.74 -3.38 114.58 113.50 1j0j h GLU 319 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1j0j h GLU 319 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1j0j h GLU 319 CO -0.05 0.85 0.00 1.19 -1.40 0.00 0.00 179.01 179.60 1j0j n PHE 320 N -3.45 0.00 -3.60 4.33 3.72 -0.31 -5.05 117.46 113.09 1j0j n PHE 320 Ca -0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.19 1j0j n PHE 320 Cb 0.83 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.42 1j0j n PHE 320 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1j0j n ASP 321 N -0.55 -1.99 -4.79 4.37 4.64 0.82 -4.90 116.55 114.15 1j0j n ASP 321 Ca 0.00 -0.78 -0.33 0.00 -1.38 0.00 0.00 54.79 52.31 1j0j n ASP 321 Cb 0.02 -4.36 0.04 0.00 -1.04 0.00 0.00 41.12 35.78 1j0j n ASP 321 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 1j0j s ILE 322 N -3.57 3.51 -2.76 5.18 -4.36 -1.25 -4.93 121.20 113.03 1j0j s ILE 322 Ca 0.06 0.67 0.24 0.00 -0.26 0.00 0.00 60.65 61.36 1j0j s ILE 322 Cb -0.01 -3.21 0.31 0.00 1.25 0.00 0.00 42.46 40.80 1j0j s ILE 322 CO 0.79 -0.47 1.35 0.47 0.24 0.00 0.00 174.94 177.33 1j0j n ASP 323 N -2.44 3.01 -3.62 4.36 9.92 0.20 -4.87 116.55 123.12 1j0j n ASP 323 Ca 0.09 -1.95 -0.04 0.00 -0.53 0.00 0.00 54.79 52.36 1j0j n ASP 323 Cb 0.52 -0.09 -0.02 0.00 -0.64 0.00 0.00 41.12 40.89 1j0j n ASP 323 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1j0j s GLY 324 N -1.80 -0.20 -0.12 0.44 0.00 -1.11 -0.77 107.32 103.76 1j0j s GLY 324 Ca 0.33 1.93 0.03 0.00 0.00 0.00 0.00 44.72 47.00 1j0j s GLY 324 CO 0.31 0.68 -0.22 -0.98 0.00 0.00 0.00 173.10 172.89 1j0j s TRP 325 N -2.01 2.50 -0.49 1.90 0.23 0.11 -2.33 118.94 118.85 1j0j s TRP 325 Ca 0.10 -1.14 -0.14 0.00 -2.03 0.00 0.00 56.10 52.89 1j0j s TRP 325 Cb -0.01 -1.70 0.10 0.00 0.03 0.00 0.00 33.47 31.89 1j0j s TRP 325 CO -0.04 -0.50 0.40 0.50 0.96 0.00 0.00 176.95 178.27 1j0j s ARG 326 N 0.61 2.84 -0.85 4.98 3.00 -0.80 0.44 118.95 129.17 1j0j s ARG 326 Ca -0.13 -1.56 -0.23 0.00 -1.00 0.00 0.00 55.73 52.81 1j0j s ARG 326 Cb -0.17 -4.10 0.06 0.00 0.00 0.00 0.00 34.95 30.75 1j0j s ARG 326 CO 0.03 -1.14 1.25 -0.51 0.00 0.00 0.00 175.30 174.93 1j0j s LEU 327 N 1.55 3.83 0.14 -0.88 1.02 0.17 -0.83 118.68 123.68 1j0j s LEU 327 Ca 0.04 -1.17 -0.34 0.00 0.02 0.00 0.00 54.13 52.67 1j0j s LEU 327 Cb -0.26 -2.51 -0.16 0.00 0.02 0.00 0.00 46.19 43.28 1j0j s LEU 327 CO 0.03 -1.52 1.33 -0.67 0.02 0.00 0.00 176.35 175.55 1j0j n ASP 328 N 8.41 1.92 -3.82 2.29 2.03 -0.17 -1.21 116.55 126.00 1j0j n ASP 328 Ca 0.16 1.12 -0.29 0.00 0.52 0.00 0.00 54.79 56.29 1j0j n ASP 328 Cb 0.49 -1.26 -0.03 0.00 -0.72 0.00 0.00 41.12 39.60 1j0j n ASP 328 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1j0j n VAL 329 N 2.29 -0.62 -0.23 5.18 0.31 -1.25 -4.42 118.33 119.59 1j0j n VAL 329 Ca 0.16 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.69 1j0j n VAL 329 Cb 0.24 -1.22 0.52 0.00 -0.91 0.00 0.00 33.84 32.47 1j0j n VAL 329 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j0j h ALA 330 N 0.93 2.23 0.00 3.52 0.00 -1.16 -1.91 119.26 122.87 1j0j h ALA 330 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1j0j h ALA 330 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1j0j h ALA 330 CO 0.64 -0.51 0.00 -2.95 0.00 0.00 0.00 179.25 176.43 1j0j h ASN 331 N 0.38 0.00 -0.32 0.00 -0.00 -1.87 -2.62 115.58 111.17 1j0j h ASN 331 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.76 1j0j h ASN 331 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.49 1j0j h ASN 331 CO -0.16 0.00 0.00 -0.62 -0.00 0.00 0.00 177.43 176.65 1j0j n GLU 332 N -2.94 2.01 -4.04 4.14 1.02 -0.72 -4.85 120.64 115.27 1j0j n GLU 332 Ca -0.02 -1.54 -0.23 0.00 -0.02 0.00 0.00 57.16 55.36 1j0j n GLU 332 Cb 0.13 -1.41 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 1j0j n GLU 332 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1j0j s ILE 333 N -1.59 4.84 0.57 -3.67 1.01 -0.99 -5.06 121.20 116.32 1j0j s ILE 333 Ca 0.33 -1.13 -0.15 0.00 0.00 0.00 0.00 60.65 59.69 1j0j s ILE 333 Cb 0.18 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 1j0j s ILE 333 CO 0.25 -0.28 1.03 1.51 0.00 0.00 0.00 174.94 177.45 1j0j s ASP 334 N -3.73 6.13 0.31 3.58 -4.77 -1.26 -4.97 116.67 111.95 1j0j s ASP 334 Ca 0.33 1.68 0.07 0.00 -3.30 0.00 0.00 52.55 51.33 1j0j s ASP 334 Cb -0.09 -2.52 0.50 0.00 -1.09 0.00 0.00 42.92 39.73 1j0j s ASP 334 CO 0.27 -0.93 1.73 0.45 0.70 0.00 0.00 175.17 177.39 1j0j h HIS 335 N 0.51 0.28 -0.68 2.11 3.86 -1.96 -2.89 115.15 116.38 1j0j h HIS 335 Ca -0.46 -0.07 0.05 0.00 -1.16 0.00 0.00 60.37 58.73 1j0j h HIS 335 Cb 1.20 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 29.57 1j0j h HIS 335 CO 0.61 0.58 0.45 1.49 0.86 0.00 0.00 177.93 181.92 1j0j h GLU 336 N 0.21 0.71 -0.05 2.45 4.81 -2.00 -1.01 114.58 119.69 1j0j h GLU 336 Ca 0.02 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 58.99 1j0j h GLU 336 Cb 0.75 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.98 1j0j h GLU 336 CO 0.06 0.47 -0.81 0.35 -0.73 0.00 0.00 179.01 178.34 1j0j h PHE 337 N 0.73 0.92 0.00 0.92 3.04 -1.85 -3.05 116.94 117.65 1j0j h PHE 337 Ca 0.29 -0.46 -0.03 0.00 3.98 0.00 0.00 57.97 61.74 1j0j h PHE 337 Cb 0.21 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.59 1j0j h PHE 337 CO -0.00 1.29 -0.15 -1.49 -2.02 0.00 0.00 178.31 175.93 1j0j h TRP 338 N 0.29 0.00 -0.13 0.41 -0.00 -1.21 0.28 115.95 115.58 1j0j h TRP 338 Ca -0.09 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.66 1j0j h TRP 338 Cb 1.47 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 30.64 1j0j h TRP 338 CO 0.11 0.15 -0.48 0.00 -0.00 0.00 0.00 178.44 178.23 1j0j h ARG 339 N 0.00 0.56 -0.03 0.49 3.08 -1.20 -2.27 114.38 115.01 1j0j h ARG 339 Ca -0.00 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 1j0j h ARG 339 Cb 0.33 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1j0j h ARG 339 CO 0.02 1.04 0.00 0.93 -1.07 0.00 0.00 179.97 180.90 1j0j h GLU 340 N 0.19 0.05 -0.83 0.04 5.08 -1.31 -2.15 114.58 115.65 1j0j h GLU 340 Ca -0.02 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.52 1j0j h GLU 340 Cb 1.11 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 30.20 1j0j h GLU 340 CO 0.10 0.29 -0.01 0.35 -1.00 0.00 0.00 179.01 178.75 1j0j h PHE 341 N -0.20 -0.08 0.32 4.33 3.57 -0.46 0.71 116.94 125.13 1j0j h PHE 341 Ca 0.01 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1j0j h PHE 341 Cb 0.27 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1j0j h PHE 341 CO 0.01 -0.30 -0.16 -0.09 -2.23 0.00 0.00 178.31 175.55 1j0j h ARG 342 N 0.08 -0.42 -0.76 1.11 2.43 -1.26 0.13 114.38 115.69 1j0j h ARG 342 Ca 0.46 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.84 1j0j h ARG 342 Cb 0.84 0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 30.36 1j0j h ARG 342 CO -0.75 -0.11 0.05 1.96 -1.51 0.00 0.00 179.97 179.61 1j0j h GLN 343 N -0.76 0.13 0.09 0.20 4.20 -0.51 0.26 115.11 118.72 1j0j h GLN 343 Ca -0.04 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1j0j h GLN 343 Cb 0.50 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1j0j h GLN 343 CO 0.07 0.09 -0.04 0.93 -0.67 0.00 0.00 178.83 179.21 1j0j h GLU 344 N 0.13 -0.11 0.27 1.46 5.08 -0.80 -1.20 114.58 119.41 1j0j h GLU 344 Ca 0.43 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1j0j h GLU 344 Cb 0.76 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1j0j h GLU 344 CO -0.64 0.38 -0.36 0.28 -1.00 0.00 0.00 179.01 177.67 1j0j h VAL 345 N -0.67 0.00 -0.63 3.13 2.07 -0.14 -1.76 116.25 118.24 1j0j h VAL 345 Ca -0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.66 1j0j h VAL 345 Cb 0.54 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1j0j h VAL 345 CO 0.02 0.00 0.44 0.11 0.02 0.00 0.00 177.57 178.16 1j0j h LYS 346 N -0.65 0.19 -0.02 1.57 1.79 -0.62 0.09 116.57 118.92 1j0j h LYS 346 Ca -0.03 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1j0j h LYS 346 Cb 0.59 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1j0j h LYS 346 CO -0.09 0.13 0.01 0.00 -1.08 0.00 0.00 179.45 178.41 1j0j h ALA 347 N 1.69 0.03 -0.69 3.86 0.00 -0.79 -2.02 119.26 121.35 1j0j h ALA 347 Ca 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1j0j h ALA 347 Cb 0.92 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1j0j h ALA 347 CO -0.06 -0.37 0.37 1.25 0.00 0.00 0.00 179.25 180.44 1j0j h LEU 348 N -0.16 0.86 -6.19 0.00 5.85 -0.26 -3.41 115.31 112.00 1j0j h LEU 348 Ca 0.01 -0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.46 1j0j h LEU 348 Cb 0.20 -0.22 -0.25 0.00 0.37 0.00 0.00 40.66 40.76 1j0j h LEU 348 CO -0.00 0.72 -0.52 -0.75 -0.34 0.00 0.00 178.44 177.55 1j0j s LYS 349 N -5.82 0.60 0.58 1.25 2.20 -0.14 -5.04 119.74 113.38 1j0j s LYS 349 Ca -0.13 -0.14 0.32 0.00 -0.36 0.00 0.00 55.97 55.66 1j0j s LYS 349 Cb 0.14 -0.21 1.35 0.00 -1.51 0.00 0.00 37.83 37.60 1j0j s LYS 349 CO 0.79 -1.12 1.67 -1.35 -0.36 0.00 0.00 175.35 174.99 1j0j h PRO 350 N 7.58 0.00 -0.81 4.03 0.11 -1.61 -2.37 132.00 138.93 1j0j h PRO 350 Ca -0.01 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.79 1j0j h PRO 350 Cb 1.13 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.05 1j0j h PRO 350 CO 0.19 0.00 0.39 -0.25 -0.21 0.00 0.00 178.00 178.12 1j0j n ASP 351 N -3.69 4.37 -4.79 -2.05 10.43 -1.26 -4.76 116.55 114.81 1j0j n ASP 351 Ca 0.19 -3.38 -0.39 0.00 2.57 0.00 0.00 54.79 53.79 1j0j n ASP 351 Cb 1.16 -0.77 -0.06 0.00 1.84 0.00 0.00 41.12 43.28 1j0j n ASP 351 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1j0j s VAL 352 N -3.11 4.48 -0.50 2.53 1.01 -0.89 -4.89 120.40 119.03 1j0j s VAL 352 Ca 0.55 1.53 -0.20 0.00 0.00 0.00 0.00 61.98 63.87 1j0j s VAL 352 Cb 0.45 -4.04 0.05 0.00 0.00 0.00 0.00 36.38 32.84 1j0j s VAL 352 CO 0.12 0.49 0.67 -0.47 0.00 0.00 0.00 175.10 175.90 1j0j s TYR 353 N -1.19 3.02 -0.81 5.22 5.04 0.05 -4.72 117.35 123.95 1j0j s TYR 353 Ca 0.35 -0.40 -0.18 0.00 -2.44 0.00 0.00 57.07 54.40 1j0j s TYR 353 Cb -0.21 -3.57 0.13 0.00 0.35 0.00 0.00 41.96 38.66 1j0j s TYR 353 CO 0.24 -1.05 0.96 0.42 -1.34 0.00 0.00 175.55 174.79 1j0j s ILE 354 N 2.82 4.84 -0.39 3.14 1.01 -1.26 0.05 121.20 131.42 1j0j s ILE 354 Ca 0.18 -1.46 -0.16 0.00 0.00 0.00 0.00 60.65 59.21 1j0j s ILE 354 Cb -0.18 -4.66 0.01 0.00 0.01 0.00 0.00 42.46 37.64 1j0j s ILE 354 CO 0.14 -1.35 0.38 -0.22 0.00 0.00 0.00 174.94 173.89 1j0j s LEU 355 N 2.43 4.73 -0.04 2.97 2.96 0.17 -1.15 118.68 130.75 1j0j s LEU 355 Ca 0.25 -0.53 -0.19 0.00 -0.22 0.00 0.00 54.13 53.43 1j0j s LEU 355 Cb -0.11 -2.33 -0.05 0.00 0.50 0.00 0.00 46.19 44.21 1j0j s LEU 355 CO -0.04 -0.46 0.55 -0.83 -1.32 0.00 0.00 176.35 174.25 1j0j s GLY 356 N 1.76 2.54 -0.75 7.98 0.00 0.10 0.42 107.32 119.37 1j0j s GLY 356 Ca 0.11 -0.05 -0.23 0.00 0.00 0.00 0.00 44.72 44.54 1j0j s GLY 356 CO 0.12 0.71 1.12 1.62 0.00 0.00 0.00 173.10 176.67 1j0j s GLN 357 N -0.02 3.25 -0.14 2.90 0.74 -0.35 -2.53 119.66 123.51 1j0j s GLN 357 Ca 0.29 -0.82 -0.00 0.00 0.05 0.00 0.00 55.36 54.88 1j0j s GLN 357 Cb -0.17 -4.42 0.03 0.00 1.10 0.00 0.00 33.01 29.54 1j0j s GLN 357 CO 0.15 -1.94 -0.09 0.42 -0.55 0.00 0.00 175.29 173.27 1j0j s ILE 358 N 4.44 1.23 -0.32 -2.34 1.01 -1.26 -2.88 121.20 121.08 1j0j s ILE 358 Ca 0.29 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 1j0j s ILE 358 Cb -0.11 -1.25 0.24 0.00 0.01 0.00 0.00 42.46 41.35 1j0j s ILE 358 CO 0.07 0.34 1.96 1.87 0.00 0.00 0.00 174.94 179.18 1j0j n TRP 359 N 4.87 1.62 -3.83 3.97 -0.00 -1.26 -4.46 117.44 118.35 1j0j n TRP 359 Ca -0.14 -1.93 -0.00 0.00 -0.00 0.00 0.00 57.50 55.43 1j0j n TRP 359 Cb 0.49 -0.94 0.01 0.00 -0.00 0.00 0.00 31.31 30.88 1j0j n TRP 359 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 177.69 175.30 1j0j n HIS 360 N 0.21 -0.68 -1.43 5.87 1.44 -1.26 -4.94 115.22 114.42 1j0j n HIS 360 Ca 0.32 -0.62 -0.55 0.00 -2.01 0.00 0.00 57.72 54.86 1j0j n HIS 360 Cb 0.64 0.29 -0.09 0.00 0.12 0.00 0.00 29.99 30.96 1j0j n HIS 360 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1j0j n ASP 361 N -0.88 1.76 -1.10 4.39 4.64 -1.26 -4.85 116.55 119.25 1j0j n ASP 361 Ca 0.01 0.59 0.08 0.00 -1.38 0.00 0.00 54.79 54.09 1j0j n ASP 361 Cb 0.36 -1.14 0.26 0.00 -1.04 0.00 0.00 41.12 39.57 1j0j n ASP 361 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1j0j n ALA 362 N 8.46 2.64 -0.29 -1.67 0.00 -1.26 -4.73 120.51 123.66 1j0j n ALA 362 Ca 0.43 -1.52 0.28 0.00 0.00 0.00 0.00 53.44 52.63 1j0j n ALA 362 Cb 0.13 -0.74 0.52 0.00 0.00 0.00 0.00 19.45 19.36 1j0j n ALA 362 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1j0j n MET 363 N 0.71 -0.06 0.22 0.00 0.00 -1.26 0.42 117.12 117.16 1j0j n MET 363 Ca 0.20 1.26 0.06 0.00 0.00 0.00 0.00 57.70 59.21 1j0j n MET 363 Cb 0.69 -2.24 0.52 0.00 0.00 0.00 0.00 33.22 32.18 1j0j n MET 363 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1j0j h PRO 364 N 0.00 0.02 -0.02 2.12 0.11 -2.01 -2.52 132.00 129.70 1j0j h PRO 364 Ca 0.76 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.86 1j0j h PRO 364 Cb 1.98 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.09 1j0j h PRO 364 CO -0.71 0.17 -0.18 0.91 -0.21 0.00 0.00 178.00 177.98 1j0j n TRP 365 N -4.36 0.00 -1.88 0.65 8.01 0.17 -4.36 117.44 115.67 1j0j n TRP 365 Ca -0.02 0.00 -0.27 0.00 -1.31 0.00 0.00 57.50 55.90 1j0j n TRP 365 Cb 0.22 -0.03 0.03 0.00 -2.01 0.00 0.00 31.31 29.53 1j0j n TRP 365 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 1j0j n LEU 366 N 0.29 5.60 -0.24 -0.99 4.77 -0.95 -2.08 117.00 123.39 1j0j n LEU 366 Ca 0.14 -4.67 0.11 0.00 -0.03 0.00 0.00 56.01 51.56 1j0j n LEU 366 Cb 0.45 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1j0j n LEU 366 CO 0.21 1.96 0.25 0.54 -1.33 0.00 0.00 177.39 179.03 1j0j n ARG 367 N -0.75 0.62 0.00 3.23 1.74 -1.25 -4.96 116.66 115.30 1j0j n ARG 367 Ca 0.48 -0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1j0j n ARG 367 Cb 0.87 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 1j0j n ARG 367 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j0j n GLY 368 N 1.44 2.29 1.17 -0.13 0.00 -1.26 -4.65 105.19 104.04 1j0j n GLY 368 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1j0j n GLY 368 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j0j n ASP 369 N 0.00 3.46 0.00 1.61 5.75 -1.26 -4.80 116.55 121.31 1j0j n ASP 369 Ca 0.00 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1j0j n ASP 369 Cb 0.00 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 1j0j n ASP 369 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j0j n GLN 370 N 1.46 0.00 -2.65 0.11 6.02 -1.26 -4.31 117.38 116.75 1j0j n GLN 370 Ca 0.20 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.88 1j0j n GLN 370 Cb 0.59 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.81 1j0j n GLN 370 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1j0j s PHE 371 N 1.41 3.44 -0.53 1.08 0.08 -0.89 -4.82 117.98 117.75 1j0j s PHE 371 Ca 0.00 1.33 0.24 0.00 0.12 0.00 0.00 56.93 58.61 1j0j s PHE 371 Cb 0.00 -2.67 0.26 0.00 -0.57 0.00 0.00 43.02 40.05 1j0j s PHE 371 CO 0.00 -0.22 1.27 -0.44 -0.10 0.00 0.00 175.22 175.73 1j0j h ASP 372 N 1.24 0.00 -5.84 1.36 3.32 -1.43 -3.43 116.42 111.64 1j0j h ASP 372 Ca -0.47 -0.15 0.35 0.00 0.02 0.00 0.00 57.03 56.78 1j0j h ASP 372 Cb 1.18 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.61 1j0j h ASP 372 CO 0.62 0.07 0.88 0.00 -1.72 0.00 0.00 179.24 179.10 1j0j s ALA 373 N -3.22 -2.34 0.07 3.45 0.00 -1.22 -4.81 121.76 113.70 1j0j s ALA 373 Ca 0.05 0.69 0.03 0.00 0.00 0.00 0.00 51.96 52.73 1j0j s ALA 373 Cb 0.12 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 1j0j s ALA 373 CO 0.73 -1.07 -0.08 0.14 0.00 0.00 0.00 175.76 175.48 1j0j s VAL 374 N -2.27 0.70 -0.23 0.00 -7.23 -1.26 -0.72 120.40 109.39 1j0j s VAL 374 Ca 0.16 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 58.57 1j0j s VAL 374 Cb 0.05 -1.12 -0.03 0.00 0.56 0.00 0.00 36.38 35.84 1j0j s VAL 374 CO -0.04 -0.56 1.66 -0.04 -0.31 0.00 0.00 175.10 175.80 1j0j s MET 375 N -2.54 3.74 -1.12 4.82 -1.94 -1.05 -3.43 119.30 117.78 1j0j s MET 375 Ca 0.00 1.67 -0.21 0.00 -1.71 0.00 0.00 55.69 55.44 1j0j s MET 375 Cb -0.04 -4.06 0.03 0.00 2.01 0.00 0.00 34.83 32.77 1j0j s MET 375 CO -0.01 -1.37 1.67 1.21 -0.01 0.00 0.00 175.02 176.51 1j0j s ASN 376 N 4.53 6.27 0.16 3.03 3.84 -0.44 -4.59 114.94 127.74 1j0j s ASN 376 Ca 0.73 -1.72 0.04 0.00 0.21 0.00 0.00 52.86 52.13 1j0j s ASN 376 Cb -0.25 -2.57 -0.05 0.00 -0.55 0.00 0.00 41.25 37.83 1j0j s ASN 376 CO 0.30 -1.74 1.36 1.88 -2.79 0.00 0.00 177.10 176.11 1j0j h TYR 377 N 9.22 0.19 0.00 0.43 -1.99 -1.86 -2.96 116.97 120.00 1j0j h TYR 377 Ca 0.27 -0.11 -0.00 0.00 2.00 0.00 0.00 58.73 60.89 1j0j h TYR 377 Cb 0.95 -0.02 -0.00 0.00 2.00 0.00 0.00 36.73 39.66 1j0j h TYR 377 CO 1.32 0.97 -0.02 -1.35 -0.00 0.00 0.00 178.16 179.07 1j0j h PRO 378 N 0.06 0.00 -0.16 4.88 0.11 -1.92 0.18 132.00 135.15 1j0j h PRO 378 Ca -0.04 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 1j0j h PRO 378 Cb 1.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.69 1j0j h PRO 378 CO 0.13 0.02 -0.30 0.35 -0.21 0.00 0.00 178.00 177.99 1j0j h PHE 379 N 0.00 0.60 -0.97 0.65 3.04 -1.90 -1.99 116.94 116.37 1j0j h PHE 379 Ca -0.00 -0.22 0.07 0.00 3.98 0.00 0.00 57.97 61.81 1j0j h PHE 379 Cb 0.04 -0.11 -0.07 0.00 2.56 0.00 0.00 35.95 38.37 1j0j h PHE 379 CO 0.00 0.93 0.61 1.15 -2.02 0.00 0.00 178.31 178.99 1j0j h THR 380 N 0.10 1.04 0.55 4.41 2.02 -0.71 -0.81 112.91 119.52 1j0j h THR 380 Ca 0.01 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1j0j h THR 380 Cb 0.90 -0.14 0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1j0j h THR 380 CO 0.07 0.20 -0.27 -0.78 0.37 0.00 0.00 175.52 175.11 1j0j h ASP 381 N 1.09 -0.63 -0.60 4.18 3.58 -0.69 -2.11 116.42 121.24 1j0j h ASP 381 Ca 0.43 -0.02 0.12 0.00 0.42 0.00 0.00 57.03 57.98 1j0j h ASP 381 Cb 0.23 0.16 -0.11 0.00 1.72 0.00 0.00 39.33 41.33 1j0j h ASP 381 CO -0.19 -0.24 -0.16 1.23 -2.88 0.00 0.00 179.24 177.00 1j0j h GLY 382 N -1.13 0.39 1.00 -0.78 0.00 -1.15 -0.51 103.07 100.89 1j0j h GLY 382 Ca -0.08 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1j0j h GLY 382 CO 0.12 -0.23 0.35 -2.08 0.00 0.00 0.00 176.54 174.71 1j0j h VAL 383 N -0.02 1.19 -0.10 4.60 2.07 -1.20 -2.93 116.25 119.87 1j0j h VAL 383 Ca 0.28 -0.46 -0.14 0.00 0.82 0.00 0.00 66.70 67.20 1j0j h VAL 383 Cb 0.45 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1j0j h VAL 383 CO -0.62 0.21 -0.56 -0.07 0.02 0.00 0.00 177.57 176.55 1j0j h LEU 384 N 0.84 0.33 -1.03 2.57 3.38 -0.64 -2.14 115.31 118.62 1j0j h LEU 384 Ca 0.22 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1j0j h LEU 384 Cb 0.02 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1j0j h LEU 384 CO -0.04 0.82 0.00 0.03 0.09 0.00 0.00 178.44 179.34 1j0j h ARG 385 N 0.23 0.00 0.00 1.13 3.08 -0.99 0.76 114.38 118.59 1j0j h ARG 385 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 1j0j h ARG 385 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1j0j h ARG 385 CO 0.09 0.00 -1.12 0.34 -1.07 0.00 0.00 179.97 178.21 1j0j n PHE 386 N -2.86 0.19 -0.02 3.04 7.35 -1.12 -0.78 117.46 123.26 1j0j n PHE 386 Ca 0.02 0.08 -0.15 0.00 -0.76 0.00 0.00 57.45 56.64 1j0j n PHE 386 Cb 0.32 -0.63 -0.12 0.00 0.35 0.00 0.00 39.48 39.41 1j0j n PHE 386 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1j0j h PHE 387 N -1.00 0.26 0.00 -5.13 0.04 -1.53 -3.15 116.94 106.44 1j0j h PHE 387 Ca -0.10 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.52 1j0j h PHE 387 Cb 1.00 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.12 1j0j h PHE 387 CO -0.34 0.97 0.00 0.00 -0.60 0.00 0.00 178.31 178.34 1j0j n ALA 388 N -2.55 -0.12 0.47 2.45 0.00 -0.94 -4.41 120.51 115.41 1j0j n ALA 388 Ca -0.10 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.47 1j0j n ALA 388 Cb 0.52 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.41 1j0j n ALA 388 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1j0j h LYS 389 N 0.00 0.00 -6.44 0.00 1.57 -1.08 -3.43 116.57 107.19 1j0j h LYS 389 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1j0j h LYS 389 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 1j0j h LYS 389 CO 0.00 0.00 -0.80 0.39 -0.57 0.00 0.00 179.45 178.47 1j0j n GLU 390 N -2.43 -4.50 0.00 3.15 1.02 -1.14 -4.87 120.64 111.87 1j0j n GLU 390 Ca 0.04 0.51 0.12 0.00 -0.02 0.00 0.00 57.16 57.81 1j0j n GLU 390 Cb 0.36 -5.23 0.23 0.00 -0.02 0.00 0.00 31.44 26.78 1j0j n GLU 390 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1j0j n GLU 391 N -4.53 1.34 -4.00 3.49 1.02 0.04 -4.94 120.64 113.06 1j0j n GLU 391 Ca -0.02 -0.97 -0.08 0.00 -0.02 0.00 0.00 57.16 56.07 1j0j n GLU 391 Cb 0.55 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.38 1j0j n GLU 391 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1j0j s ILE 392 N -2.33 0.15 0.79 -3.67 -4.36 -1.15 -5.04 121.20 105.59 1j0j s ILE 392 Ca 0.25 -1.27 -0.12 0.00 -0.26 0.00 0.00 60.65 59.26 1j0j s ILE 392 Cb 0.19 -0.86 0.07 0.00 1.25 0.00 0.00 42.46 43.11 1j0j s ILE 392 CO 0.47 -0.70 1.13 -0.94 0.24 0.00 0.00 174.94 175.14 1j0j s SER 393 N -2.13 4.62 0.38 4.36 1.04 -1.26 -4.76 113.70 115.95 1j0j s SER 393 Ca -0.05 1.05 0.13 0.00 0.48 0.00 0.00 55.95 57.56 1j0j s SER 393 Cb -0.02 -1.72 0.75 0.00 0.10 0.00 0.00 66.02 65.14 1j0j s SER 393 CO -0.05 -1.86 1.85 0.00 0.98 0.00 0.00 173.24 174.16 1j0j h ALA 394 N -1.02 1.42 -0.26 5.32 0.00 -1.59 0.17 119.26 123.30 1j0j h ALA 394 Ca -0.47 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 53.99 1j0j h ALA 394 Cb 1.29 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1j0j h ALA 394 CO 0.63 0.43 -0.39 0.07 0.00 0.00 0.00 179.25 179.99 1j0j h ARG 395 N 0.01 0.72 -0.65 0.00 0.11 -1.88 -0.24 114.38 112.45 1j0j h ARG 395 Ca -0.00 -0.43 -0.02 0.00 0.10 0.00 0.00 59.98 59.63 1j0j h ARG 395 Cb 0.61 0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.70 1j0j h ARG 395 CO 0.04 1.05 0.31 1.96 0.10 0.00 0.00 179.97 183.44 1j0j h GLN 396 N 0.45 0.94 -0.22 0.08 4.20 -1.79 0.11 115.11 118.89 1j0j h GLN 396 Ca 0.02 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.61 1j0j h GLN 396 Cb 0.98 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 1j0j h GLN 396 CO 0.09 0.75 0.12 0.35 -0.67 0.00 0.00 178.83 179.46 1j0j h PHE 397 N 0.90 0.22 -0.91 2.96 3.57 -0.79 -0.94 116.94 121.94 1j0j h PHE 397 Ca 0.22 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.77 1j0j h PHE 397 Cb 0.12 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 1j0j h PHE 397 CO 0.00 0.13 0.59 0.00 -2.23 0.00 0.00 178.31 176.80 1j0j h ALA 398 N 1.10 1.20 0.16 2.41 0.00 -0.57 -1.97 119.26 121.59 1j0j h ALA 398 Ca 0.09 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1j0j h ALA 398 Cb 0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1j0j h ALA 398 CO -0.05 0.46 -0.21 -0.91 0.00 0.00 0.00 179.25 178.54 1j0j h ASN 399 N 1.15 -0.58 -0.65 0.00 2.35 0.24 0.18 115.58 118.26 1j0j h ASN 399 Ca 0.36 0.06 0.06 0.00 -0.55 0.00 0.00 56.30 56.23 1j0j h ASN 399 Cb -0.00 0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.52 1j0j h ASN 399 CO -0.12 -0.30 0.36 -0.61 -1.65 0.00 0.00 177.43 175.11 1j0j h GLN 400 N -0.43 0.66 -0.06 0.81 -0.00 -0.98 0.24 115.11 115.34 1j0j h GLN 400 Ca 0.01 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1j0j h GLN 400 Cb 0.42 -0.15 -0.00 0.00 0.00 0.00 0.00 27.48 27.75 1j0j h GLN 400 CO -0.08 0.43 0.04 0.52 0.00 0.00 0.00 178.83 179.74 1j0j h MET 401 N 0.68 0.09 -0.32 1.69 2.86 -1.05 0.20 114.93 119.08 1j0j h MET 401 Ca 0.29 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.93 1j0j h MET 401 Cb 0.17 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1j0j h MET 401 CO -0.18 0.11 0.21 0.52 1.06 0.00 0.00 176.91 178.63 1j0j h MET 402 N 0.04 0.40 0.30 1.72 2.86 -0.31 -0.90 114.93 119.05 1j0j h MET 402 Ca 0.02 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1j0j h MET 402 Cb 0.04 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1j0j h MET 402 CO -0.00 0.26 -0.14 1.25 1.06 0.00 0.00 176.91 179.34 1j0j h HIS 403 N 0.41 -0.37 0.00 -0.22 6.17 0.53 -0.89 115.15 120.78 1j0j h HIS 403 Ca 0.12 -0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.14 1j0j h HIS 403 Cb -0.02 0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.02 1j0j h HIS 403 CO -0.00 -0.06 -0.23 -0.39 0.71 0.00 0.00 177.93 177.96 1j0j h VAL 404 N -0.69 1.03 0.18 5.26 -1.51 -0.71 -2.53 116.25 117.28 1j0j h VAL 404 Ca -0.04 -0.82 -0.31 0.00 -1.23 0.00 0.00 66.70 64.30 1j0j h VAL 404 Cb 0.48 1.46 0.03 0.00 -2.13 0.00 0.00 31.29 31.12 1j0j h VAL 404 CO 0.07 0.23 -1.34 -0.07 -1.23 0.00 0.00 177.57 175.22 1j0j h LEU 405 N 0.00 0.73 0.00 4.19 3.38 -1.09 -3.26 115.31 119.26 1j0j h LEU 405 Ca -0.00 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.23 1j0j h LEU 405 Cb 0.44 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1j0j h LEU 405 CO 0.03 1.57 0.00 1.41 0.09 0.00 0.00 178.44 181.54 1j0j n HIS 406 N -3.68 0.00 0.67 1.13 8.25 -0.35 -2.80 115.22 118.44 1j0j n HIS 406 Ca -0.13 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.45 1j0j n HIS 406 Cb 1.05 -0.44 0.46 0.00 1.12 0.00 0.00 29.99 32.18 1j0j n HIS 406 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1j0j n SER 407 N -1.44 0.56 -4.35 0.41 3.41 -0.97 -4.84 113.62 106.42 1j0j n SER 407 Ca 0.09 0.57 -0.20 0.00 -0.26 0.00 0.00 58.87 59.07 1j0j n SER 407 Cb 0.30 -0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 63.43 1j0j n SER 407 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1j0j s TYR 408 N -3.10 1.77 0.61 7.33 2.02 -1.12 -4.51 117.35 120.34 1j0j s TYR 408 Ca 0.10 -0.53 -0.17 0.00 -0.37 0.00 0.00 57.07 56.10 1j0j s TYR 408 Cb 0.13 -0.83 -0.02 0.00 -0.40 0.00 0.00 41.96 40.83 1j0j s TYR 408 CO 0.53 0.37 1.14 -2.14 -1.57 0.00 0.00 175.55 173.88 1j0j s PRO 409 N -3.40 2.98 0.32 -1.71 0.02 -1.26 -4.84 135.00 127.11 1j0j s PRO 409 Ca 0.21 1.56 0.01 0.00 0.02 0.00 0.00 61.00 62.80 1j0j s PRO 409 Cb -0.02 -1.96 0.56 0.00 0.02 0.00 0.00 34.50 33.10 1j0j s PRO 409 CO 0.07 -1.14 1.96 -0.91 -0.33 0.00 0.00 177.00 176.65 1j0j h ASN 410 N 0.56 0.84 1.05 2.53 2.35 -1.93 -1.59 115.58 119.39 1j0j h ASN 410 Ca -0.49 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1j0j h ASN 410 Cb 1.26 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1j0j h ASN 410 CO 0.55 0.58 0.00 -0.55 -1.65 0.00 0.00 177.43 176.35 1j0j h ASN 411 N 0.98 0.00 0.32 5.81 -1.07 -1.94 -2.24 115.58 117.43 1j0j h ASN 411 Ca 0.32 0.00 -0.33 0.00 0.07 0.00 0.00 56.30 56.36 1j0j h ASN 411 Cb 0.06 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.32 1j0j h ASN 411 CO -0.10 0.00 -1.58 0.58 0.07 0.00 0.00 177.43 176.40 1j0j h VAL 412 N 0.00 1.13 0.00 6.14 2.07 -1.67 -3.24 116.25 120.68 1j0j h VAL 412 Ca 0.00 -2.68 -0.02 0.00 0.82 0.00 0.00 66.70 64.82 1j0j h VAL 412 Cb 0.52 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1j0j h VAL 412 CO 0.00 0.84 -0.10 0.78 0.02 0.00 0.00 177.57 179.11 1j0j h ASN 413 N 0.10 0.00 0.95 0.57 2.35 -1.12 -2.71 115.58 115.73 1j0j h ASN 413 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1j0j h ASN 413 Cb 2.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.46 1j0j h ASN 413 CO 0.20 0.10 0.00 -0.33 -1.65 0.00 0.00 177.43 175.75 1j0j h GLU 414 N 0.00 0.00 -0.01 0.81 5.08 -1.43 -3.12 114.58 115.91 1j0j h GLU 414 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1j0j h GLU 414 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1j0j h GLU 414 CO 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 1j0j n ALA 415 N -2.06 2.18 -1.88 3.43 0.00 -1.03 -4.15 120.51 117.00 1j0j n ALA 415 Ca 0.01 -2.04 -0.41 0.00 0.00 0.00 0.00 53.44 50.99 1j0j n ALA 415 Cb 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 1j0j n ALA 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0j s ALA 416 N -2.21 3.59 -0.78 0.00 0.00 -1.18 -4.58 121.76 116.60 1j0j s ALA 416 Ca 0.21 1.28 -0.23 0.00 0.00 0.00 0.00 51.96 53.22 1j0j s ALA 416 Cb 0.18 -3.53 0.07 0.00 0.00 0.00 0.00 23.12 19.83 1j0j s ALA 416 CO 0.02 -0.70 1.15 0.12 0.00 0.00 0.00 175.76 176.36 1j0j s PHE 417 N -0.15 2.62 -0.50 0.00 5.36 -1.22 0.16 117.98 124.24 1j0j s PHE 417 Ca 0.57 -0.60 -0.18 0.00 -0.96 0.00 0.00 56.93 55.76 1j0j s PHE 417 Cb -0.41 -4.45 0.06 0.00 -0.34 0.00 0.00 43.02 37.89 1j0j s PHE 417 CO 0.44 -1.79 0.58 -0.80 -1.46 0.00 0.00 175.22 172.19 1j0j s ASN 418 N 3.89 6.21 0.23 6.13 0.01 -0.97 -1.32 114.94 129.11 1j0j s ASN 418 Ca 0.31 -0.98 0.11 0.00 -0.71 0.00 0.00 52.86 51.58 1j0j s ASN 418 Cb -0.10 -2.27 -0.05 0.00 0.41 0.00 0.00 41.25 39.25 1j0j s ASN 418 CO 0.05 -0.84 -0.17 -1.48 -1.51 0.00 0.00 177.10 173.15 1j0j s LEU 419 N 2.45 2.70 -0.01 0.60 2.34 -1.26 -0.52 118.68 124.97 1j0j s LEU 419 Ca 0.13 -0.83 0.13 0.00 0.06 0.00 0.00 54.13 53.62 1j0j s LEU 419 Cb -0.20 -1.32 -0.18 0.00 -0.56 0.00 0.00 46.19 43.93 1j0j s LEU 419 CO 0.11 0.08 0.41 0.18 -1.06 0.00 0.00 176.35 176.06 1j0j n LEU 420 N -0.21 0.27 -3.58 1.48 4.77 -1.26 -4.17 117.00 114.31 1j0j n LEU 420 Ca -0.09 -0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 55.61 1j0j n LEU 420 Cb 0.57 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1j0j n LEU 420 CO 0.35 0.07 0.74 -0.83 -1.33 0.00 0.00 177.39 176.39 1j0j s GLY 421 N -2.95 -0.39 0.29 -0.72 0.00 -1.26 -4.81 107.32 97.47 1j0j s GLY 421 Ca -0.01 0.85 -0.07 0.00 0.00 0.00 0.00 44.72 45.50 1j0j s GLY 421 CO 0.54 0.27 0.50 -1.14 0.00 0.00 0.00 173.10 173.27 1j0j n SER 422 N -0.29 -1.43 0.03 1.64 3.41 -1.26 -4.59 113.62 111.12 1j0j n SER 422 Ca -0.07 -2.35 0.06 0.00 -0.26 0.00 0.00 58.87 56.25 1j0j n SER 422 Cb 0.61 2.49 0.28 0.00 -0.26 0.00 0.00 64.21 67.33 1j0j n SER 422 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j0j n HIS 423 N -0.43 0.16 -0.23 7.33 1.44 -1.26 -1.76 115.22 120.46 1j0j n HIS 423 Ca -0.03 0.07 0.10 0.00 -2.01 0.00 0.00 57.72 55.84 1j0j n HIS 423 Cb 0.46 -0.61 0.25 0.00 0.12 0.00 0.00 29.99 30.21 1j0j n HIS 423 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1j0j n ASP 424 N -1.65 3.55 -4.23 4.39 8.00 -1.26 -4.39 116.55 120.96 1j0j n ASP 424 Ca 0.02 -1.99 -0.13 0.00 0.71 0.00 0.00 54.79 53.40 1j0j n ASP 424 Cb 0.13 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 40.75 1j0j n ASP 424 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1j0j s THR 425 N -1.04 0.19 0.75 -3.53 -4.23 -0.72 -4.72 115.64 102.33 1j0j s THR 425 Ca 0.39 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.80 1j0j s THR 425 Cb 0.21 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.59 1j0j s THR 425 CO 0.27 -0.04 1.08 -0.94 -0.54 0.00 0.00 174.62 174.45 1j0j s SER 426 N -3.20 4.95 0.11 3.99 1.04 -1.26 -4.42 113.70 114.92 1j0j s SER 426 Ca 0.37 1.41 -0.31 0.00 0.48 0.00 0.00 55.95 57.90 1j0j s SER 426 Cb 0.07 -2.21 -0.08 0.00 0.10 0.00 0.00 66.02 63.90 1j0j s SER 426 CO 0.12 -1.69 1.43 -0.13 0.98 0.00 0.00 173.24 173.95 1j0j s ARG 427 N -5.13 4.30 0.43 4.02 1.81 -0.73 -4.67 118.95 118.97 1j0j s ARG 427 Ca 0.59 2.12 0.18 0.00 -1.72 0.00 0.00 55.73 56.90 1j0j s ARG 427 Cb -0.14 -3.27 1.11 0.00 -0.45 0.00 0.00 34.95 32.20 1j0j s ARG 427 CO 0.54 -0.49 1.88 -0.84 -0.68 0.00 0.00 175.30 175.72 1j0j h ILE 428 N 4.29 0.71 -0.58 1.52 3.07 -1.89 0.40 117.51 125.03 1j0j h ILE 428 Ca -0.42 -0.13 -0.08 0.00 1.55 0.00 0.00 64.86 65.78 1j0j h ILE 428 Cb 1.21 0.31 -0.02 0.00 -0.27 0.00 0.00 36.82 38.04 1j0j h ILE 428 CO 0.88 0.07 0.03 0.25 -1.05 0.00 0.00 178.15 178.32 1j0j h LEU 429 N 0.37 0.95 -0.47 0.16 5.85 -1.91 0.51 115.31 120.78 1j0j h LEU 429 Ca 0.42 -0.25 -0.15 0.00 0.84 0.00 0.00 57.88 58.75 1j0j h LEU 429 Cb 1.08 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1j0j h LEU 429 CO -0.14 0.99 -0.37 0.74 -0.34 0.00 0.00 178.44 179.32 1j0j h THR 430 N 0.91 1.28 -0.58 1.05 2.02 -1.25 0.06 112.91 116.39 1j0j h THR 430 Ca 0.17 -1.55 -0.05 0.00 0.77 0.00 0.00 66.41 65.75 1j0j h THR 430 Cb 0.49 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1j0j h THR 430 CO 0.02 0.51 0.15 0.58 0.37 0.00 0.00 175.52 177.16 1j0j h VAL 431 N 0.70 1.23 0.00 3.16 2.07 -0.93 0.46 116.25 122.95 1j0j h VAL 431 Ca 0.06 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1j0j h VAL 431 Cb 0.94 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1j0j h VAL 431 CO 0.09 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.99 1j0j n GLY 433 N 0.34 1.50 0.93 0.00 0.00 0.15 -2.75 105.19 105.37 1j0j n GLY 433 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1j0j n GLY 433 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0j n GLY 434 N -1.11 0.70 3.52 -0.02 0.00 -0.03 -5.01 105.19 103.24 1j0j n GLY 434 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1j0j n GLY 434 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j0j s ASP 435 N -2.94 6.31 0.28 1.61 -1.08 -1.11 -4.89 116.67 114.85 1j0j s ASP 435 Ca 0.00 -1.01 0.02 0.00 -0.52 0.00 0.00 52.55 51.04 1j0j s ASP 435 Cb 0.00 -2.52 0.65 0.00 -1.46 0.00 0.00 42.92 39.60 1j0j s ASP 435 CO 0.00 -1.58 1.72 0.40 0.52 0.00 0.00 175.17 176.23 1j0j h ILE 436 N 6.21 0.57 -1.01 4.11 1.08 -1.93 0.81 117.51 127.36 1j0j h ILE 436 Ca -0.10 -0.16 0.22 0.00 -0.39 0.00 0.00 64.86 64.43 1j0j h ILE 436 Cb 1.04 0.05 -0.11 0.00 -3.07 0.00 0.00 36.82 34.72 1j0j h ILE 436 CO 1.28 0.09 0.61 0.03 -0.69 0.00 0.00 178.15 179.47 1j0j h ARG 437 N 0.48 0.61 -0.06 2.37 3.08 -1.95 0.30 114.38 119.21 1j0j h ARG 437 Ca 0.52 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 60.35 1j0j h ARG 437 Cb 0.91 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1j0j h ARG 437 CO -0.47 0.41 -0.76 0.87 -1.07 0.00 0.00 179.97 178.95 1j0j h LYS 438 N 0.63 0.37 -0.46 0.04 1.57 -1.20 -2.58 116.57 114.94 1j0j h LYS 438 Ca 0.61 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.98 1j0j h LYS 438 Cb 1.12 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1j0j h LYS 438 CO -0.41 0.97 -0.08 0.28 -0.57 0.00 0.00 179.45 179.64 1j0j h VAL 439 N 0.24 1.26 -0.82 0.50 2.07 -0.29 -1.82 116.25 117.38 1j0j h VAL 439 Ca -0.03 -1.14 0.07 0.00 0.82 0.00 0.00 66.70 66.42 1j0j h VAL 439 Cb 1.34 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 1j0j h VAL 439 CO 0.13 0.39 0.49 0.11 0.02 0.00 0.00 177.57 178.71 1j0j h LYS 440 N 0.75 0.85 -0.65 1.57 1.57 -0.36 -1.19 116.57 119.10 1j0j h LYS 440 Ca 0.13 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1j0j h LYS 440 Cb 0.56 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1j0j h LYS 440 CO 0.03 0.56 0.13 -0.07 -0.57 0.00 0.00 179.45 179.53 1j0j h LEU 441 N 0.87 1.00 -0.23 2.94 3.38 -1.01 -1.58 115.31 120.68 1j0j h LEU 441 Ca 0.37 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1j0j h LEU 441 Cb 0.24 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1j0j h LEU 441 CO -0.20 0.98 0.15 -0.07 0.09 0.00 0.00 178.44 179.39 1j0j h LEU 442 N 0.99 0.26 -0.91 1.67 3.38 -0.45 -1.34 115.31 118.92 1j0j h LEU 442 Ca 0.20 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1j0j h LEU 442 Cb 0.40 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1j0j h LEU 442 CO 0.01 0.20 0.13 -0.26 0.09 0.00 0.00 178.44 178.61 1j0j h PHE 443 N 0.30 0.98 0.74 1.13 -1.00 -1.18 -0.73 116.94 117.18 1j0j h PHE 443 Ca 0.08 -0.10 -0.03 0.00 2.81 0.00 0.00 57.97 60.73 1j0j h PHE 443 Cb -0.03 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.25 1j0j h PHE 443 CO -0.06 0.82 -0.50 1.25 -1.61 0.00 0.00 178.31 178.21 1j0j h LEU 444 N 0.89 -1.28 -1.50 1.54 5.85 -0.79 0.51 115.31 120.53 1j0j h LEU 444 Ca 0.19 0.08 0.03 0.00 0.84 0.00 0.00 57.88 59.02 1j0j h LEU 444 Cb 0.34 0.39 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1j0j h LEU 444 CO 0.00 -0.74 0.37 0.15 -0.34 0.00 0.00 178.44 177.88 1j0j h PHE 445 N -1.17 0.63 -0.04 1.25 3.57 -1.21 -2.54 116.94 117.43 1j0j h PHE 445 Ca -0.10 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1j0j h PHE 445 Cb 0.95 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 1j0j h PHE 445 CO -0.14 0.38 -0.04 0.37 -2.23 0.00 0.00 178.31 176.65 1j0j h GLN 446 N 0.66 0.11 -0.60 1.11 4.15 -0.73 -3.06 115.11 116.76 1j0j h GLN 446 Ca 0.22 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1j0j h GLN 446 Cb 0.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1j0j h GLN 446 CO -0.06 0.56 0.00 1.28 -1.93 0.00 0.00 178.83 178.69 1j0j n LEU 447 N -4.77 0.60 0.00 -2.39 4.77 0.17 -2.61 117.00 112.78 1j0j n LEU 447 Ca -0.08 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1j0j n LEU 447 Cb 0.28 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1j0j n LEU 447 CO 0.35 0.15 0.25 0.35 -1.33 0.00 0.00 177.39 177.16 1j0j n THR 448 N -0.17 0.20 -3.77 -5.08 -2.24 -1.00 -4.62 114.28 97.59 1j0j n THR 448 Ca 0.00 -0.23 -0.36 0.00 -2.27 0.00 0.00 64.05 61.19 1j0j n THR 448 Cb 0.15 1.09 -0.06 0.00 -2.10 0.00 0.00 70.33 69.41 1j0j n THR 448 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1j0j s PHE 449 N -0.20 3.61 0.25 4.78 5.36 -1.07 -4.73 117.98 125.98 1j0j s PHE 449 Ca 0.00 0.62 -0.30 0.00 -0.96 0.00 0.00 56.93 56.29 1j0j s PHE 449 Cb 0.00 -2.01 -0.10 0.00 -0.34 0.00 0.00 43.02 40.56 1j0j s PHE 449 CO 0.00 0.67 1.45 0.99 -1.46 0.00 0.00 175.22 176.87 1j0j s THR 450 N -1.15 2.61 -3.71 0.12 2.01 -1.22 -4.66 115.64 109.64 1j0j s THR 450 Ca 0.22 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.73 1j0j s THR 450 Cb -0.13 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1j0j s THR 450 CO 0.11 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 1j0j n GLY 451 N 2.21 0.76 2.90 4.40 0.00 -1.02 -4.80 105.19 109.65 1j0j n GLY 451 Ca 0.07 -1.88 -0.28 0.00 0.00 0.00 0.00 46.02 43.93 1j0j n GLY 451 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j0j s SER 452 N -4.00 4.69 1.08 1.61 0.15 0.12 -4.63 113.70 112.72 1j0j s SER 452 Ca 0.00 -3.70 -0.13 0.00 0.70 0.00 0.00 55.95 52.82 1j0j s SER 452 Cb 0.00 -1.62 0.21 0.00 -1.71 0.00 0.00 66.02 62.90 1j0j s SER 452 CO 0.00 -0.11 0.90 -0.81 1.20 0.00 0.00 173.24 174.42 1j0j n PRO 453 N 2.18 -1.64 -3.65 5.44 -0.04 -1.26 -2.30 135.00 133.74 1j0j n PRO 453 Ca 0.17 -0.44 -0.09 0.00 -0.04 0.00 0.00 63.50 63.10 1j0j n PRO 453 Cb 0.35 -2.16 -0.10 0.00 -0.04 0.00 0.00 33.50 31.55 1j0j n PRO 453 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j0j s ILE 455 N 2.58 4.95 -0.18 0.00 1.01 0.38 -4.11 121.20 125.82 1j0j s ILE 455 Ca -0.01 0.73 -0.12 0.00 0.00 0.00 0.00 60.65 61.25 1j0j s ILE 455 Cb -0.12 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 1j0j s ILE 455 CO -0.12 0.31 0.23 -0.47 0.00 0.00 0.00 174.94 174.89 1j0j s TYR 456 N -1.38 3.43 -0.18 3.97 5.04 -1.26 -0.32 117.35 126.65 1j0j s TYR 456 Ca 0.34 0.48 -0.41 0.00 -2.44 0.00 0.00 57.07 55.03 1j0j s TYR 456 Cb -0.15 -2.28 -0.18 0.00 0.35 0.00 0.00 41.96 39.69 1j0j s TYR 456 CO 0.18 0.23 1.41 2.48 -1.34 0.00 0.00 175.55 178.51 1j0j n TYR 457 N 3.66 1.42 0.00 4.97 4.11 -0.90 -1.09 117.16 129.33 1j0j n TYR 457 Ca -0.13 0.89 0.00 0.00 -0.00 0.00 0.00 57.90 58.66 1j0j n TYR 457 Cb 0.52 -2.26 0.00 0.00 -0.00 0.00 0.00 39.34 37.60 1j0j n TYR 457 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1j0j n GLY 458 N 2.96 3.32 0.01 -7.48 0.00 -1.26 -4.88 105.19 97.86 1j0j n GLY 458 Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.35 1j0j n GLY 458 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j0j n ASP 459 N 0.00 0.08 0.06 1.61 8.00 -0.25 0.35 116.55 126.39 1j0j n ASP 459 Ca 0.00 0.52 0.05 0.00 0.71 0.00 0.00 54.79 56.07 1j0j n ASP 459 Cb 0.00 -0.53 -0.06 0.00 -0.02 0.00 0.00 41.12 40.51 1j0j n ASP 459 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1j0j n GLU 460 N -1.58 0.62 -0.15 -1.24 0.00 -1.26 -3.75 120.64 113.28 1j0j n GLU 460 Ca 0.04 0.15 0.06 0.00 0.00 0.00 0.00 57.16 57.42 1j0j n GLU 460 Cb 0.23 -1.79 0.14 0.00 0.00 0.00 0.00 31.44 30.02 1j0j n GLU 460 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 1j0j n ILE 461 N -2.76 0.71 -2.58 3.84 -5.35 -1.06 -2.63 119.36 109.53 1j0j n ILE 461 Ca -0.06 -0.86 -0.06 0.00 -0.27 0.00 0.00 62.75 61.51 1j0j n ILE 461 Cb 0.71 0.72 0.02 0.00 -1.74 0.00 0.00 39.64 39.36 1j0j n ILE 461 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j0j n GLY 462 N 0.69 0.37 3.70 3.28 0.00 -0.32 -1.94 105.19 110.97 1j0j n GLY 462 Ca 0.12 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1j0j n GLY 462 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1j0j s MET 463 N -4.83 1.00 0.30 1.61 -1.94 0.15 -4.95 119.30 110.64 1j0j s MET 463 Ca 0.07 0.81 0.03 0.00 -1.71 0.00 0.00 55.69 54.90 1j0j s MET 463 Cb -0.03 -1.78 -0.06 0.00 2.01 0.00 0.00 34.83 34.97 1j0j s MET 463 CO 0.20 -2.42 0.05 0.95 -0.01 0.00 0.00 175.02 173.79 1j0j s THR 464 N -2.90 1.09 0.00 2.05 -4.23 -1.26 -4.53 115.64 105.87 1j0j s THR 464 Ca 0.64 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1j0j s THR 464 Cb -0.19 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1j0j s THR 464 CO 0.58 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 1j0j n GLY 465 N -0.60 4.45 0.00 3.99 0.00 -1.26 -4.79 105.19 106.97 1j0j n GLY 465 Ca -0.02 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1j0j n GLY 465 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0j n GLY 466 N -1.71 0.63 3.85 -0.02 0.00 -1.26 -1.77 105.19 104.90 1j0j n GLY 466 Ca 0.00 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 1j0j n GLY 466 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j0j s ASN 467 N -1.03 6.55 -0.01 1.61 3.84 -1.26 -1.84 114.94 122.81 1j0j s ASN 467 Ca 0.00 1.47 -0.03 0.00 0.21 0.00 0.00 52.86 54.52 1j0j s ASN 467 Cb 0.00 -2.47 -0.01 0.00 -0.55 0.00 0.00 41.25 38.22 1j0j s ASN 467 CO 0.00 -0.59 0.08 -0.67 -2.79 0.00 0.00 177.10 173.13 1j0j n ASP 468 N -1.69 0.01 -0.09 -4.21 4.64 -1.26 -2.31 116.55 111.65 1j0j n ASP 468 Ca 0.06 0.08 0.14 0.00 -1.38 0.00 0.00 54.79 53.69 1j0j n ASP 468 Cb 0.54 -0.06 0.64 0.00 -1.04 0.00 0.00 41.12 41.20 1j0j n ASP 468 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1j0j n PRO 469 N 0.13 0.61 -0.21 -0.67 -0.04 -1.26 -4.91 135.00 128.65 1j0j n PRO 469 Ca 0.01 -0.17 0.06 0.00 -0.04 0.00 0.00 63.50 63.36 1j0j n PRO 469 Cb 0.00 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.29 1j0j n PRO 469 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1j0j h GLU 470 N 0.42 0.80 0.00 0.54 5.08 -1.65 -1.02 114.58 118.75 1j0j h GLU 470 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1j0j h GLU 470 Cb 0.34 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1j0j h GLU 470 CO 0.00 0.53 0.00 0.00 -1.00 0.00 0.00 179.01 178.54 1j0j n ARG 472 N -1.39 2.55 -1.45 0.00 1.74 -0.39 -4.93 116.66 112.79 1j0j n ARG 472 Ca 0.05 -3.21 -0.31 0.00 -0.77 0.00 0.00 57.85 53.60 1j0j n ARG 472 Cb 0.12 -2.24 0.07 0.00 -1.02 0.00 0.00 32.46 29.39 1j0j n ARG 472 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1j0j s LYS 473 N -3.64 2.54 0.63 5.56 1.02 -1.22 -4.76 119.74 119.87 1j0j s LYS 473 Ca 0.62 0.98 -0.18 0.00 0.02 0.00 0.00 55.97 57.41 1j0j s LYS 473 Cb 0.50 -1.94 -0.02 0.00 -0.52 0.00 0.00 37.83 35.84 1j0j s LYS 473 CO 0.03 -1.39 1.24 0.00 -0.92 0.00 0.00 175.35 174.31 1j0j s MET 475 N -3.40 3.33 -0.35 0.00 1.75 0.11 -4.92 119.30 115.82 1j0j s MET 475 Ca 0.79 1.99 -0.11 0.00 -1.25 0.00 0.00 55.69 57.11 1j0j s MET 475 Cb -0.33 -2.25 0.01 0.00 2.84 0.00 0.00 34.83 35.10 1j0j s MET 475 CO 0.37 -0.96 0.20 0.08 -0.65 0.00 0.00 175.02 174.05 1j0j s VAL 476 N -1.45 4.72 -2.80 10.11 1.01 -1.26 -4.93 120.40 125.80 1j0j s VAL 476 Ca 0.70 -0.61 0.24 0.00 0.00 0.00 0.00 61.98 62.30 1j0j s VAL 476 Cb -0.34 -3.52 0.15 0.00 0.00 0.00 0.00 36.38 32.66 1j0j s VAL 476 CO 0.40 -0.10 1.22 0.79 0.00 0.00 0.00 175.10 177.41 1j0j n TRP 477 N 5.02 0.00 -2.89 5.22 7.02 -1.26 -4.85 117.44 125.70 1j0j n TRP 477 Ca -0.13 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.93 1j0j n TRP 477 Cb 0.48 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.32 1j0j n TRP 477 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1j0j s ASP 478 N -2.08 6.60 0.07 -0.99 -1.08 -1.26 -4.90 116.67 113.03 1j0j s ASP 478 Ca 0.26 0.42 0.04 0.00 -0.52 0.00 0.00 52.55 52.75 1j0j s ASP 478 Cb 0.20 -2.43 0.23 0.00 -1.46 0.00 0.00 42.92 39.46 1j0j s ASP 478 CO 0.35 -0.81 1.10 -0.81 0.52 0.00 0.00 175.17 175.52 1j0j n PRO 479 N 6.62 0.03 0.22 4.34 -0.04 -1.26 -0.40 135.00 144.50 1j0j n PRO 479 Ca 0.05 0.50 0.11 0.00 -0.04 0.00 0.00 63.50 64.12 1j0j n PRO 479 Cb 0.48 -1.62 0.18 0.00 -0.04 0.00 0.00 33.50 32.50 1j0j n PRO 479 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1j0j h MET 480 N 0.00 0.00 -0.01 0.54 4.05 -1.99 -3.15 114.93 114.37 1j0j h MET 480 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1j0j h MET 480 Cb 0.07 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1j0j h MET 480 CO 0.00 0.05 -0.37 1.04 0.23 0.00 0.00 176.91 177.86 1j0j n GLN 481 N -3.11 1.99 -2.95 0.39 3.00 0.46 -4.98 117.38 112.18 1j0j n GLN 481 Ca 0.04 -0.57 -0.28 0.00 -0.01 0.00 0.00 57.00 56.17 1j0j n GLN 481 Cb 0.54 -1.19 -0.02 0.00 0.00 0.00 0.00 30.24 29.57 1j0j n GLN 481 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1j0j s GLN 482 N -1.84 3.61 -0.66 -1.09 -0.21 -0.90 -4.98 119.66 113.59 1j0j s GLN 482 Ca 0.10 0.15 -0.10 0.00 0.02 0.00 0.00 55.36 55.53 1j0j s GLN 482 Cb 0.11 -2.48 0.17 0.00 1.00 0.00 0.00 33.01 31.81 1j0j s GLN 482 CO 0.40 -0.02 0.55 1.21 -2.12 0.00 0.00 175.29 175.31 1j0j s ASN 483 N -3.64 6.03 0.16 5.90 3.84 -0.82 -4.95 114.94 121.46 1j0j s ASN 483 Ca 0.47 -2.48 -0.17 0.00 0.21 0.00 0.00 52.86 50.88 1j0j s ASN 483 Cb -0.10 -2.06 0.07 0.00 -0.55 0.00 0.00 41.25 38.61 1j0j s ASN 483 CO 0.37 -0.57 1.69 0.11 -2.79 0.00 0.00 177.10 175.91 1j0j h LYS 484 N 7.82 0.05 -0.98 0.43 6.56 -1.89 -0.89 116.57 127.66 1j0j h LYS 484 Ca -0.04 -0.00 0.21 0.00 -1.06 0.00 0.00 60.65 59.76 1j0j h LYS 484 Cb 1.03 -0.01 -0.11 0.00 -0.57 0.00 0.00 32.23 32.56 1j0j h LYS 484 CO 0.79 0.03 0.57 1.49 -2.06 0.00 0.00 179.45 180.27 1j0j h GLU 485 N 0.05 0.64 -0.03 3.15 4.81 -1.96 0.24 114.58 121.47 1j0j h GLU 485 Ca 0.17 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1j0j h GLU 485 Cb 0.25 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1j0j h GLU 485 CO -0.32 0.42 -0.08 1.25 -0.73 0.00 0.00 179.01 179.55 1j0j h LEU 486 N 0.66 0.12 -0.33 1.64 6.46 -1.67 -2.48 115.31 119.70 1j0j h LEU 486 Ca 0.59 -0.60 0.07 0.00 -0.12 0.00 0.00 57.88 57.82 1j0j h LEU 486 Cb 1.00 -0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.82 1j0j h LEU 486 CO -0.43 0.70 -0.19 -0.74 -0.62 0.00 0.00 178.44 177.16 1j0j h HIS 487 N -0.46 -0.49 -0.46 1.25 2.76 0.19 0.12 115.15 118.06 1j0j h HIS 487 Ca -0.00 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1j0j h HIS 487 Cb 0.69 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.89 1j0j h HIS 487 CO 0.13 -0.27 0.28 1.96 -1.30 0.00 0.00 177.93 178.74 1j0j h GLN 488 N -0.15 0.62 0.39 5.26 1.08 -0.65 -0.86 115.11 120.79 1j0j h GLN 488 Ca 0.17 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 1j0j h GLN 488 Cb 0.41 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1j0j h GLN 488 CO -0.42 0.43 -0.21 1.25 -0.95 0.00 0.00 178.83 178.92 1j0j h HIS 489 N 0.63 -0.56 -0.06 2.96 2.76 -0.35 0.56 115.15 121.10 1j0j h HIS 489 Ca 0.17 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1j0j h HIS 489 Cb -0.04 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1j0j h HIS 489 CO 0.00 -0.34 -0.03 0.28 -1.30 0.00 0.00 177.93 176.55 1j0j h VAL 490 N -0.56 0.91 -0.34 5.26 2.07 -0.73 0.10 116.25 122.96 1j0j h VAL 490 Ca -0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1j0j h VAL 490 Cb 0.45 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 1j0j h VAL 490 CO 0.06 0.00 -0.05 0.50 0.02 0.00 0.00 177.57 178.11 1j0j h LYS 491 N -0.03 0.04 -0.74 1.57 3.64 -1.01 -0.09 116.57 119.95 1j0j h LYS 491 Ca 0.03 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1j0j h LYS 491 Cb 0.07 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 1j0j h LYS 491 CO -0.07 0.03 0.42 0.37 -2.27 0.00 0.00 179.45 177.93 1j0j h GLN 492 N 0.04 0.74 0.00 1.90 4.15 0.77 -2.27 115.11 120.43 1j0j h GLN 492 Ca 0.16 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.41 1j0j h GLN 492 Cb 0.24 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1j0j h GLN 492 CO -0.32 0.49 -0.62 -0.07 -1.93 0.00 0.00 178.83 176.38 1j0j h LEU 493 N 0.76 0.00 -1.02 -2.39 3.38 -0.20 -2.81 115.31 113.03 1j0j h LEU 493 Ca 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 1j0j h LEU 493 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1j0j h LEU 493 CO -0.20 0.62 -0.12 0.40 0.09 0.00 0.00 178.44 179.23 1j0j h ILE 494 N 0.00 0.27 0.07 1.22 2.04 -0.48 -2.13 117.51 118.50 1j0j h ILE 494 Ca -0.01 -0.92 -0.17 0.00 1.00 0.00 0.00 64.86 64.76 1j0j h ILE 494 Cb 1.26 1.74 0.02 0.00 -0.74 0.00 0.00 36.82 39.09 1j0j h ILE 494 CO 0.08 0.12 -0.72 0.00 0.00 0.00 0.00 178.15 177.62 1j0j h ALA 495 N 1.88 -0.00 -0.78 1.87 0.00 -1.28 -2.67 119.26 118.28 1j0j h ALA 495 Ca -0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1j0j h ALA 495 Cb 0.73 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1j0j h ALA 495 CO 0.02 0.38 0.42 -0.07 0.00 0.00 0.00 179.25 179.99 1j0j h LEU 496 N -0.21 0.97 -0.47 0.00 3.38 -1.35 -1.17 115.31 116.46 1j0j h LEU 496 Ca -0.11 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1j0j h LEU 496 Cb 1.49 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1j0j h LEU 496 CO 0.14 0.78 -0.03 -0.09 0.09 0.00 0.00 178.44 179.33 1j0j h ARG 497 N 1.09 0.85 -0.29 1.13 2.43 -1.45 0.83 114.38 118.97 1j0j h ARG 497 Ca 0.27 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1j0j h ARG 497 Cb 0.03 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1j0j h ARG 497 CO -0.04 0.91 0.10 -0.22 -1.51 0.00 0.00 179.97 179.20 1j0j h LYS 498 N 0.70 0.41 0.06 0.20 3.64 -1.07 -3.05 116.57 117.46 1j0j h LYS 498 Ca 0.13 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.28 1j0j h LYS 498 Cb 0.54 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1j0j h LYS 498 CO 0.03 0.36 -0.75 1.96 -2.27 0.00 0.00 179.45 178.78 1j0j h GLN 499 N 0.41 0.39 -4.58 1.90 4.20 -0.62 -3.44 115.11 113.38 1j0j h GLN 499 Ca 0.10 -0.51 -0.71 0.00 0.06 0.00 0.00 58.65 57.59 1j0j h GLN 499 Cb 0.12 0.17 -0.23 0.00 0.30 0.00 0.00 27.48 27.83 1j0j h GLN 499 CO -0.01 1.18 -0.49 0.71 -0.67 0.00 0.00 178.83 179.55 1j0j s TYR 500 N -2.90 3.24 0.52 2.96 1.51 0.23 -4.93 117.35 117.98 1j0j s TYR 500 Ca -0.13 -0.83 0.42 0.00 -1.01 0.00 0.00 57.07 55.52 1j0j s TYR 500 Cb 0.03 -2.48 2.15 0.00 -0.11 0.00 0.00 41.96 41.55 1j0j s TYR 500 CO 0.84 -0.62 2.27 -0.09 -1.11 0.00 0.00 175.55 176.84 1j0j h ARG 501 N 8.49 0.00 -0.27 -0.62 2.43 -1.86 -1.59 114.38 120.95 1j0j h ARG 501 Ca -0.26 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.75 1j0j h ARG 501 Cb 1.11 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1j0j h ARG 501 CO 0.68 0.00 -0.45 0.66 -1.51 0.00 0.00 179.97 179.35 1j0j h SER 502 N 0.00 0.87 -0.53 -3.80 4.64 -1.91 -0.01 113.55 112.81 1j0j h SER 502 Ca -0.00 -0.52 0.06 0.00 -0.47 0.00 0.00 61.79 60.85 1j0j h SER 502 Cb 0.13 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 61.92 1j0j h SER 502 CO 0.00 1.23 0.25 -0.07 -0.87 0.00 0.00 176.83 177.36 1j0j h LEU 503 N 0.54 0.33 0.00 5.97 3.38 -1.57 0.27 115.31 124.23 1j0j h LEU 503 Ca 0.02 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 1j0j h LEU 503 Cb 1.06 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1j0j h LEU 503 CO 0.10 0.22 -1.41 -2.11 0.09 0.00 0.00 178.44 175.33 1j0j n ARG 504 N -4.92 0.62 0.00 1.13 1.85 -1.20 -3.37 116.66 110.78 1j0j n ARG 504 Ca 0.05 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 57.05 1j0j n ARG 504 Cb 0.17 -1.77 0.00 0.00 -1.05 0.00 0.00 32.46 29.81 1j0j n ARG 504 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1j0j n ARG 505 N -2.77 0.10 -1.55 2.89 1.74 -0.03 -2.42 116.66 114.63 1j0j n ARG 505 Ca -0.08 -0.24 -0.30 0.00 -0.77 0.00 0.00 57.85 56.46 1j0j n ARG 505 Cb 0.76 -0.70 0.22 0.00 -1.02 0.00 0.00 32.46 31.71 1j0j n ARG 505 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1j0j s GLY 506 N -0.08 1.70 0.13 -0.13 0.00 0.95 -4.89 107.32 105.00 1j0j s GLY 506 Ca 0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 44.72 43.56 1j0j s GLY 506 CO 0.00 -0.30 0.31 1.85 0.00 0.00 0.00 173.10 174.97 1j0j s GLU 507 N -5.71 3.52 0.10 2.90 2.12 -0.24 -4.71 118.70 116.68 1j0j s GLU 507 Ca 0.73 -0.32 0.10 0.00 0.36 0.00 0.00 54.97 55.85 1j0j s GLU 507 Cb -0.06 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 1j0j s GLU 507 CO 0.54 0.51 -0.26 -1.50 -0.54 0.00 0.00 175.26 174.01 1j0j s ILE 508 N -1.66 2.19 -0.04 -3.70 2.07 -1.26 0.13 121.20 118.93 1j0j s ILE 508 Ca 0.38 -1.64 -0.16 0.00 -1.41 0.00 0.00 60.65 57.82 1j0j s ILE 508 Cb -0.12 -1.92 0.03 0.00 0.13 0.00 0.00 42.46 40.58 1j0j s ILE 508 CO 0.27 0.16 0.36 -0.94 -1.91 0.00 0.00 174.94 172.88 1j0j s SER 509 N -1.81 -0.28 -0.23 4.50 1.04 -0.96 -4.97 113.70 110.99 1j0j s SER 509 Ca 0.13 0.28 -0.06 0.00 0.48 0.00 0.00 55.95 56.78 1j0j s SER 509 Cb -0.10 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1j0j s SER 509 CO 0.05 -0.40 0.02 -0.36 0.98 0.00 0.00 173.24 173.53 1j0j s PHE 510 N -1.01 3.05 -0.09 5.02 0.40 -1.26 -1.82 117.98 122.27 1j0j s PHE 510 Ca -0.11 -0.52 -0.25 0.00 -0.60 0.00 0.00 56.93 55.45 1j0j s PHE 510 Cb -0.04 -2.16 -0.03 0.00 0.51 0.00 0.00 43.02 41.30 1j0j s PHE 510 CO 0.04 -0.34 0.78 -0.51 0.70 0.00 0.00 175.22 175.89 1j0j s LEU 511 N 1.35 4.28 -0.10 -0.37 1.43 -0.52 -4.99 118.68 119.76 1j0j s LEU 511 Ca 0.05 1.25 -0.29 0.00 -1.03 0.00 0.00 54.13 54.11 1j0j s LEU 511 Cb -0.15 -3.20 -0.06 0.00 0.03 0.00 0.00 46.19 42.81 1j0j s LEU 511 CO 0.02 -0.22 2.02 -1.00 0.23 0.00 0.00 176.35 177.40 1j0j s HIS 512 N 1.24 1.34 0.64 0.29 3.76 -1.26 -4.42 115.29 116.88 1j0j s HIS 512 Ca 0.40 0.09 -0.02 0.00 -0.15 0.00 0.00 55.06 55.38 1j0j s HIS 512 Cb -0.18 -4.08 0.13 0.00 1.11 0.00 0.00 32.58 29.56 1j0j s HIS 512 CO 0.18 -4.60 0.87 0.00 -0.85 0.00 0.00 174.74 170.34 1j0j n ALA 513 N 9.39 -0.05 0.10 -1.40 0.00 -1.26 -5.05 120.51 122.24 1j0j n ALA 513 Ca 0.24 -1.60 -0.05 0.00 0.00 0.00 0.00 53.44 52.03 1j0j n ALA 513 Cb 0.43 0.22 -0.02 0.00 0.00 0.00 0.00 19.45 20.08 1j0j n ALA 513 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1j0j h ASP 514 N -0.64 -0.28 -2.72 0.00 2.03 -1.93 -3.39 116.42 109.50 1j0j h ASP 514 Ca -0.29 0.01 -0.69 0.00 -0.73 0.00 0.00 57.03 55.33 1j0j h ASP 514 Cb 1.01 0.07 -0.18 0.00 -0.83 0.00 0.00 39.33 39.40 1j0j h ASP 514 CO 0.29 0.11 0.53 -0.62 -1.03 0.00 0.00 179.24 178.52 1j0j s ASP 515 N -4.79 6.44 0.00 4.15 -1.08 -1.26 -4.89 116.67 115.23 1j0j s ASP 515 Ca -0.05 -1.74 0.00 0.00 -0.52 0.00 0.00 52.55 50.24 1j0j s ASP 515 Cb 0.00 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1j0j s ASP 515 CO 0.14 -1.11 1.25 -0.62 0.52 0.00 0.00 175.17 175.35 1j0j n GLU 516 N 6.49 0.74 0.00 4.34 -0.58 -1.26 -3.25 120.64 127.12 1j0j n GLU 516 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1j0j n GLU 516 Cb 0.47 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 1j0j n GLU 516 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1j0j n MET 517 N 1.32 0.00 0.00 3.49 1.56 -1.26 -3.93 117.12 118.29 1j0j n MET 517 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1j0j n MET 517 Cb 0.37 -0.49 0.00 0.00 2.15 0.00 0.00 33.22 35.25 1j0j n MET 517 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1j0j n ASN 518 N -2.79 1.09 -4.66 6.12 3.02 -1.24 -2.34 115.26 114.46 1j0j n ASN 518 Ca 0.00 -0.37 -0.38 0.00 -0.03 0.00 0.00 54.58 53.80 1j0j n ASN 518 Cb 0.40 0.95 -0.08 0.00 -0.61 0.00 0.00 39.78 40.44 1j0j n ASN 518 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1j0j s TYR 519 N -1.17 3.34 -0.18 3.10 4.12 -1.20 -0.63 117.35 124.73 1j0j s TYR 519 Ca 0.00 0.49 -0.01 0.00 0.02 0.00 0.00 57.07 57.58 1j0j s TYR 519 Cb 0.00 -2.48 0.00 0.00 -1.52 0.00 0.00 41.96 37.96 1j0j s TYR 519 CO 0.00 -0.03 -0.13 -1.17 0.02 0.00 0.00 175.55 174.23 1j0j s LEU 520 N 1.39 2.51 -0.09 -1.29 2.96 -0.46 -4.82 118.68 118.88 1j0j s LEU 520 Ca 0.16 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1j0j s LEU 520 Cb -0.15 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 44.96 1j0j s LEU 520 CO 0.08 0.04 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.33 1j0j s ILE 521 N 1.08 1.67 0.14 6.68 1.09 -1.26 -0.53 121.20 130.07 1j0j s ILE 521 Ca -0.00 -0.79 -0.19 0.00 -1.10 0.00 0.00 60.65 58.57 1j0j s ILE 521 Cb -0.14 -1.48 0.05 0.00 -1.06 0.00 0.00 42.46 39.83 1j0j s ILE 521 CO -0.04 0.47 0.49 -0.72 -0.10 0.00 0.00 174.94 175.05 1j0j s TYR 522 N 0.56 -0.36 0.02 3.97 -0.85 -0.81 -1.43 117.35 118.44 1j0j s TYR 522 Ca -0.15 0.10 -0.03 0.00 -0.52 0.00 0.00 57.07 56.47 1j0j s TYR 522 Cb -0.17 0.40 -0.01 0.00 0.38 0.00 0.00 41.96 42.56 1j0j s TYR 522 CO 0.05 -0.77 0.03 -1.59 -1.52 0.00 0.00 175.55 171.75 1j0j s LYS 523 N -3.75 0.39 -0.17 -3.49 -2.85 -0.76 -0.69 119.74 108.42 1j0j s LYS 523 Ca 0.02 -0.57 -0.05 0.00 -1.00 0.00 0.00 55.97 54.37 1j0j s LYS 523 Cb 0.01 0.15 -0.03 0.00 -2.06 0.00 0.00 37.83 35.89 1j0j s LYS 523 CO -0.12 -0.08 -0.01 0.15 0.10 0.00 0.00 175.35 175.39 1j0j s LYS 524 N -1.56 3.69 -0.04 1.78 -0.14 -0.73 -2.27 119.74 120.46 1j0j s LYS 524 Ca -0.14 -0.50 -0.02 0.00 -1.36 0.00 0.00 55.97 53.95 1j0j s LYS 524 Cb -0.08 -3.00 0.03 0.00 -1.68 0.00 0.00 37.83 33.10 1j0j s LYS 524 CO -0.01 0.17 0.07 0.95 -0.76 0.00 0.00 175.35 175.78 1j0j s THR 525 N 0.56 -0.12 -0.65 2.17 -4.23 0.12 -2.34 115.64 111.14 1j0j s THR 525 Ca -0.01 0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.90 1j0j s THR 525 Cb -0.14 -0.16 0.37 0.00 1.34 0.00 0.00 72.50 73.91 1j0j s THR 525 CO 0.02 0.16 1.41 -0.90 -0.54 0.00 0.00 174.62 174.77 1j0j n ASP 526 N 5.08 5.74 0.00 3.99 5.75 -1.25 -1.08 116.55 134.79 1j0j n ASP 526 Ca -0.08 -3.74 0.00 0.00 -0.01 0.00 0.00 54.79 50.96 1j0j n ASP 526 Cb 0.50 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 1j0j n ASP 526 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j0j n GLY 527 N -0.39 0.93 0.00 6.12 0.00 -1.26 -4.56 105.19 106.02 1j0j n GLY 527 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1j0j n GLY 527 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j0j n ASP 528 N 2.36 0.00 -3.90 1.61 9.92 -1.26 -4.95 116.55 120.33 1j0j n ASP 528 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.96 1j0j n ASP 528 Cb 0.00 0.00 0.22 0.00 -0.64 0.00 0.00 41.12 40.70 1j0j n ASP 528 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1j0j s GLU 529 N 0.00 -0.28 -0.30 -1.24 -1.05 -1.26 -5.03 118.70 109.54 1j0j s GLU 529 Ca 0.00 -0.34 -0.10 0.00 -0.15 0.00 0.00 54.97 54.38 1j0j s GLU 529 Cb 0.00 -1.73 0.14 0.00 -0.44 0.00 0.00 34.13 32.10 1j0j s GLU 529 CO 0.00 -3.04 0.70 0.99 0.95 0.00 0.00 175.26 174.86 1j0j s THR 530 N -3.56 -0.91 -0.09 1.83 2.01 -1.26 -3.81 115.64 109.85 1j0j s THR 530 Ca 0.74 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.75 1j0j s THR 530 Cb -0.05 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 1j0j s THR 530 CO 0.54 0.00 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.68 1j0j s VAL 531 N 2.83 3.37 -0.09 3.82 1.01 -0.99 0.19 120.40 130.53 1j0j s VAL 531 Ca -0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1j0j s VAL 531 Cb -0.11 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1j0j s VAL 531 CO -0.19 0.56 -0.01 -0.22 0.00 0.00 0.00 175.10 175.24 1j0j s LEU 532 N -0.31 3.50 -0.07 3.92 2.96 0.25 -1.77 118.68 127.16 1j0j s LEU 532 Ca 0.03 0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 1j0j s LEU 532 Cb -0.13 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.77 1j0j s LEU 532 CO 0.03 0.36 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.56 1j0j s VAL 533 N -0.75 1.38 -0.12 1.68 1.01 0.14 -0.30 120.40 123.44 1j0j s VAL 533 Ca 0.12 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 1j0j s VAL 533 Cb -0.11 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1j0j s VAL 533 CO 0.02 0.41 -0.09 -0.63 0.00 0.00 0.00 175.10 174.81 1j0j s ILE 534 N 0.46 1.12 0.04 2.22 1.01 -0.87 -1.93 121.20 123.25 1j0j s ILE 534 Ca -0.13 -0.35 0.07 0.00 0.00 0.00 0.00 60.65 60.24 1j0j s ILE 534 Cb -0.15 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1j0j s ILE 534 CO 0.04 0.38 -0.17 -0.63 0.00 0.00 0.00 174.94 174.56 1j0j s ILE 535 N 1.63 2.85 -0.54 2.92 1.01 0.31 -2.36 121.20 127.02 1j0j s ILE 535 Ca 0.04 -1.18 0.04 0.00 0.00 0.00 0.00 60.65 59.55 1j0j s ILE 535 Cb -0.13 -2.21 0.13 0.00 0.01 0.00 0.00 42.46 40.27 1j0j s ILE 535 CO -0.08 0.32 0.29 0.21 0.00 0.00 0.00 174.94 175.68 1j0j s ASN 536 N -1.49 4.40 -1.27 3.58 2.47 -0.10 -1.35 114.94 121.18 1j0j s ASN 536 Ca 0.15 -3.06 -0.13 0.00 0.42 0.00 0.00 52.86 50.24 1j0j s ASN 536 Cb -0.11 -1.65 0.14 0.00 -1.45 0.00 0.00 41.25 38.18 1j0j s ASN 536 CO 0.06 -0.23 1.68 -1.14 -3.72 0.00 0.00 177.10 173.74 1j0j n ARG 537 N 3.05 3.36 -3.51 0.43 0.63 0.20 -1.82 116.66 119.01 1j0j n ARG 537 Ca 0.06 -3.56 -0.12 0.00 -0.92 0.00 0.00 57.85 53.31 1j0j n ARG 537 Cb 0.32 -3.11 -0.04 0.00 0.45 0.00 0.00 32.46 30.08 1j0j n ARG 537 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1j0j s SER 538 N 2.58 -0.49 0.00 6.15 1.04 -1.26 -4.69 113.70 117.02 1j0j s SER 538 Ca 0.44 0.31 0.05 0.00 0.48 0.00 0.00 55.95 57.23 1j0j s SER 538 Cb 0.03 0.45 0.28 0.00 0.10 0.00 0.00 66.02 66.88 1j0j s SER 538 CO 0.01 -0.62 0.99 -0.90 0.98 0.00 0.00 173.24 173.70 1j0j n ASP 539 N 0.32 0.00 -4.27 7.02 5.68 -1.26 -1.53 116.55 122.51 1j0j n ASP 539 Ca -0.14 -1.43 -0.20 0.00 -0.50 0.00 0.00 54.79 52.53 1j0j n ASP 539 Cb 0.60 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.47 1j0j n ASP 539 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1j0j s GLN 540 N -2.00 1.10 0.72 0.11 -2.07 -1.26 -4.67 119.66 111.59 1j0j s GLN 540 Ca 0.07 -1.27 -0.13 0.00 -1.82 0.00 0.00 55.36 52.21 1j0j s GLN 540 Cb 0.03 -1.06 0.03 0.00 -1.09 0.00 0.00 33.01 30.92 1j0j s GLN 540 CO 0.05 0.21 1.11 -1.59 -1.32 0.00 0.00 175.29 173.75 1j0j s LYS 541 N -2.61 2.46 -0.08 9.60 -2.85 -1.26 -4.02 119.74 120.97 1j0j s LYS 541 Ca 0.10 1.31 -0.20 0.00 -1.00 0.00 0.00 55.97 56.18 1j0j s LYS 541 Cb -0.06 -1.91 0.04 0.00 -2.06 0.00 0.00 37.83 33.84 1j0j s LYS 541 CO 0.04 -1.51 0.47 0.00 0.10 0.00 0.00 175.35 174.46 1j0j s ALA 542 N -2.60 -1.20 -0.68 0.59 0.00 0.85 -4.94 121.76 113.78 1j0j s ALA 542 Ca 0.65 0.94 -0.15 0.00 0.00 0.00 0.00 51.96 53.40 1j0j s ALA 542 Cb -0.19 -0.22 0.17 0.00 0.00 0.00 0.00 23.12 22.88 1j0j s ALA 542 CO 0.49 -0.28 0.63 -0.51 0.00 0.00 0.00 175.76 176.08 1j0j s ASP 543 N -0.80 6.45 -0.05 0.00 1.11 -1.26 -0.72 116.67 121.39 1j0j s ASP 543 Ca -0.09 -2.24 -0.21 0.00 0.18 0.00 0.00 52.55 50.19 1j0j s ASP 543 Cb -0.03 -2.20 -0.04 0.00 1.07 0.00 0.00 42.92 41.71 1j0j s ASP 543 CO 0.05 -0.71 0.62 -0.63 1.18 0.00 0.00 175.17 175.67 1j0j s ILE 544 N 0.88 5.02 -0.08 0.77 1.01 0.12 -4.85 121.20 124.07 1j0j s ILE 544 Ca 0.10 1.27 -0.28 0.00 0.00 0.00 0.00 60.65 61.74 1j0j s ILE 544 Cb -0.20 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 1j0j s ILE 544 CO -0.03 0.33 0.93 -2.84 0.00 0.00 0.00 174.94 173.33 1j0j s PRO 545 N 0.40 4.44 -0.24 2.79 0.02 -1.26 0.12 135.00 141.27 1j0j s PRO 545 Ca 0.33 1.27 -0.22 0.00 0.02 0.00 0.00 61.00 62.40 1j0j s PRO 545 Cb -0.17 -3.52 -0.01 0.00 0.02 0.00 0.00 34.50 30.82 1j0j s PRO 545 CO 0.16 -0.20 0.71 0.96 -0.33 0.00 0.00 177.00 178.30 1j0j s ILE 546 N 1.63 4.93 -0.97 2.83 -4.36 0.10 -4.91 121.20 120.45 1j0j s ILE 546 Ca 0.46 1.33 -0.24 0.00 -0.26 0.00 0.00 60.65 61.94 1j0j s ILE 546 Cb -0.19 -4.01 0.02 0.00 1.25 0.00 0.00 42.46 39.53 1j0j s ILE 546 CO 0.20 0.00 1.60 -2.16 0.24 0.00 0.00 174.94 174.81 1j0j s PRO 547 N 2.54 3.26 -0.05 0.37 0.04 -1.26 -4.80 135.00 135.09 1j0j s PRO 547 Ca 0.30 -0.82 -0.09 0.00 0.04 0.00 0.00 61.00 60.43 1j0j s PRO 547 Cb -0.15 -5.22 0.02 0.00 0.04 0.00 0.00 34.50 29.18 1j0j s PRO 547 CO 0.08 -2.56 0.22 -0.51 0.04 0.00 0.00 177.00 174.27 1j0j s LEU 548 N 6.58 1.19 -0.44 -3.56 1.02 -1.26 -5.12 118.68 117.09 1j0j s LEU 548 Ca 0.53 0.21 -0.27 0.00 0.02 0.00 0.00 54.13 54.62 1j0j s LEU 548 Cb -0.02 0.85 0.02 0.00 0.02 0.00 0.00 46.19 47.06 1j0j s LEU 548 CO -0.06 -0.23 1.00 -1.81 0.02 0.00 0.00 176.35 175.27 1j0j s ASP 549 N -0.57 6.60 -1.04 2.29 -0.00 -1.26 -4.97 116.67 117.73 1j0j s ASP 549 Ca -0.07 0.37 -0.23 0.00 -0.00 0.00 0.00 52.55 52.62 1j0j s ASP 549 Cb -0.04 -2.49 -0.03 0.00 -0.00 0.00 0.00 42.92 40.37 1j0j s ASP 549 CO 0.01 -1.06 1.82 0.00 -0.00 0.00 0.00 175.17 175.94 1j0j s ALA 550 N 3.90 2.07 -0.39 5.23 0.00 -1.26 -4.71 121.76 126.61 1j0j s ALA 550 Ca 0.41 -1.96 0.07 0.00 0.00 0.00 0.00 51.96 50.48 1j0j s ALA 550 Cb -0.10 -4.59 0.18 0.00 0.00 0.00 0.00 23.12 18.61 1j0j s ALA 550 CO 0.26 -4.53 0.58 0.50 0.00 0.00 0.00 175.76 172.58 1j0j s ARG 551 N 6.19 0.75 -0.71 0.00 3.52 -1.26 -4.89 118.95 122.55 1j0j s ARG 551 Ca 0.63 -0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.99 1j0j s ARG 551 Cb -0.03 -0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.35 1j0j s ARG 551 CO 0.02 -1.17 0.00 0.41 -0.81 0.00 0.00 175.30 173.75 1j0j n GLY 552 N 4.54 0.33 3.44 8.12 0.00 -1.26 -4.75 105.19 115.62 1j0j n GLY 552 Ca 0.10 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 1j0j n GLY 552 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j0j s THR 553 N -2.36 4.22 -0.04 2.61 2.01 -1.26 0.15 115.64 120.97 1j0j s THR 553 Ca 0.00 -0.20 0.05 0.00 0.31 0.00 0.00 61.69 61.85 1j0j s THR 553 Cb 0.00 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.53 1j0j s THR 553 CO 0.00 0.36 -0.19 0.26 -0.69 0.00 0.00 174.62 174.36 1j0j s TRP 554 N 1.49 2.57 -0.08 4.92 0.52 -0.48 0.09 118.94 127.98 1j0j s TRP 554 Ca 0.06 -0.30 0.02 0.00 0.02 0.00 0.00 56.10 55.90 1j0j s TRP 554 Cb -0.15 -1.59 -0.02 0.00 -1.15 0.00 0.00 33.47 30.56 1j0j s TRP 554 CO 0.03 0.08 -0.13 -0.51 0.02 0.00 0.00 176.95 176.43 1j0j s LEU 555 N -0.62 2.77 -0.29 2.99 1.43 -0.01 -1.08 118.68 123.86 1j0j s LEU 555 Ca 0.09 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1j0j s LEU 555 Cb -0.11 -1.59 0.08 0.00 0.03 0.00 0.00 46.19 44.61 1j0j s LEU 555 CO 0.00 0.28 -0.01 -0.69 0.23 0.00 0.00 176.35 176.16 1j0j s VAL 556 N -0.33 1.93 -0.48 -1.59 1.01 -0.88 -1.64 120.40 118.44 1j0j s VAL 556 Ca 0.03 -1.80 -0.29 0.00 0.00 0.00 0.00 61.98 59.92 1j0j s VAL 556 Cb -0.13 -2.27 -0.10 0.00 0.00 0.00 0.00 36.38 33.89 1j0j s VAL 556 CO 0.02 -0.34 2.37 -3.20 0.00 0.00 0.00 175.10 173.96 1j0j n ASN 557 N 4.46 2.17 0.00 3.32 2.85 0.84 -2.16 115.26 126.74 1j0j n ASN 557 Ca -0.05 -0.07 0.01 0.00 -0.11 0.00 0.00 54.58 54.36 1j0j n ASN 557 Cb 0.42 -1.42 0.09 0.00 1.24 0.00 0.00 39.78 40.11 1j0j n ASN 557 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1j0j n LEU 558 N 13.02 0.00 -0.05 1.20 4.77 -0.03 -0.31 117.00 135.61 1j0j n LEU 558 Ca 0.41 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.31 1j0j n LEU 558 Cb 0.39 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1j0j n LEU 558 CO 0.74 0.00 -0.83 0.18 -1.33 0.00 0.00 177.39 176.15 1j0j n LEU 559 N -0.62 2.59 -0.17 2.23 4.77 -1.26 -4.75 117.00 119.78 1j0j n LEU 559 Ca 0.02 -0.02 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1j0j n LEU 559 Cb 0.01 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.74 1j0j n LEU 559 CO 0.02 0.59 0.16 0.35 -1.33 0.00 0.00 177.39 177.17 1j0j n THR 560 N -2.92 0.00 0.00 -5.08 -2.24 -1.15 -4.96 114.28 97.93 1j0j n THR 560 Ca -0.18 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1j0j n THR 560 Cb 0.68 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 1j0j n THR 560 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j0j n GLY 561 N 0.97 2.85 3.45 3.38 0.00 0.58 -4.95 105.19 111.47 1j0j n GLY 561 Ca 0.04 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.54 1j0j n GLY 561 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j0j n GLU 562 N -1.07 0.11 -4.32 1.61 0.00 -1.25 -4.47 120.64 111.25 1j0j n GLU 562 Ca 0.00 0.04 -0.17 0.00 0.00 0.00 0.00 57.16 57.03 1j0j n GLU 562 Cb 0.00 -1.24 -0.10 0.00 0.00 0.00 0.00 31.44 30.10 1j0j n GLU 562 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1j0j s ARG 563 N -0.66 1.26 -0.05 5.31 3.52 -1.26 -0.11 118.95 126.95 1j0j s ARG 563 Ca 0.73 -1.58 -0.31 0.00 -0.13 0.00 0.00 55.73 54.44 1j0j s ARG 563 Cb -1.03 -0.84 0.13 0.00 -1.56 0.00 0.00 34.95 31.65 1j0j s ARG 563 CO 0.56 0.07 1.35 -0.59 -0.81 0.00 0.00 175.30 175.88 1j0j s PHE 564 N -3.20 -0.02 0.20 5.12 -0.12 -0.65 -4.98 117.98 114.33 1j0j s PHE 564 Ca 0.22 -0.04 0.06 0.00 -0.05 0.00 0.00 56.93 57.12 1j0j s PHE 564 Cb 0.02 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 1j0j s PHE 564 CO 0.05 -0.18 0.13 0.00 -0.05 0.00 0.00 175.22 175.18 1j0j s ALA 565 N -2.26 3.51 -0.16 1.99 0.00 -1.26 -0.83 121.76 122.75 1j0j s ALA 565 Ca 0.15 -1.33 -0.28 0.00 0.00 0.00 0.00 51.96 50.50 1j0j s ALA 565 Cb 0.06 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 1j0j s ALA 565 CO -0.05 0.40 0.94 0.00 0.00 0.00 0.00 175.76 177.05 1j0j s ALA 566 N -1.92 3.51 -0.15 0.00 0.00 0.11 -4.85 121.76 118.45 1j0j s ALA 566 Ca 0.31 0.19 -0.19 0.00 0.00 0.00 0.00 51.96 52.28 1j0j s ALA 566 Cb -0.09 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.71 1j0j s ALA 566 CO 0.23 -0.71 0.50 -1.83 0.00 0.00 0.00 175.76 173.95 1j0j s GLU 567 N 2.31 0.65 0.00 0.00 -1.05 -1.26 -4.58 118.70 114.76 1j0j s GLU 567 Ca 0.43 0.54 0.00 0.00 -0.15 0.00 0.00 54.97 55.80 1j0j s GLU 567 Cb -0.17 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 33.83 1j0j s GLU 567 CO 0.13 -0.11 0.00 0.00 0.95 0.00 0.00 175.26 176.23 1j0j n ALA 568 N 2.42 1.12 0.39 -0.84 0.00 -1.26 -0.86 120.51 121.47 1j0j n ALA 568 Ca -0.15 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.33 1j0j n ALA 568 Cb 0.56 -0.80 0.01 0.00 0.00 0.00 0.00 19.45 19.23 1j0j n ALA 568 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1j0j n GLU 569 N -0.24 1.81 -1.23 0.00 -0.58 -1.26 -4.66 120.64 114.48 1j0j n GLU 569 Ca 0.00 -0.66 0.02 0.00 -0.42 0.00 0.00 57.16 56.10 1j0j n GLU 569 Cb 0.00 -1.07 0.01 0.00 -0.57 0.00 0.00 31.44 29.81 1j0j n GLU 569 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1j0j n THR 570 N -0.13 0.00 -1.94 2.62 -2.24 -0.04 -4.93 114.28 107.62 1j0j n THR 570 Ca 0.04 -0.68 -0.38 0.00 -2.27 0.00 0.00 64.05 60.76 1j0j n THR 570 Cb 0.20 0.82 0.04 0.00 -2.10 0.00 0.00 70.33 69.29 1j0j n THR 570 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1j0j n LEU 571 N 0.34 7.20 -3.36 3.22 4.77 -1.23 -4.85 117.00 123.08 1j0j n LEU 571 Ca 0.01 -4.84 -0.10 0.00 -0.03 0.00 0.00 56.01 51.05 1j0j n LEU 571 Cb 1.00 -0.99 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 1j0j n LEU 571 CO -0.04 1.80 -0.07 0.00 -1.33 0.00 0.00 177.39 177.75 1j0j s THR 573 N 2.53 5.05 -0.40 0.00 2.01 0.33 -4.84 115.64 120.33 1j0j s THR 573 Ca 0.12 1.19 -0.14 0.00 0.31 0.00 0.00 61.69 63.18 1j0j s THR 573 Cb -0.15 -3.92 0.02 0.00 0.01 0.00 0.00 72.50 68.46 1j0j s THR 573 CO -0.16 0.34 0.27 -0.55 -0.69 0.00 0.00 174.62 173.83 1j0j s SER 574 N 0.38 5.98 0.22 3.53 0.15 -1.26 0.16 113.70 122.86 1j0j s SER 574 Ca 0.31 -0.93 0.09 0.00 0.70 0.00 0.00 55.95 56.12 1j0j s SER 574 Cb -0.17 -2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 61.99 1j0j s SER 574 CO 0.15 -0.43 -0.05 -0.76 1.20 0.00 0.00 173.24 173.35 1j0j s LEU 575 N 1.64 3.09 0.00 3.45 1.43 0.10 -4.96 118.68 123.43 1j0j s LEU 575 Ca 0.04 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1j0j s LEU 575 Cb -0.19 -1.69 0.06 0.00 0.03 0.00 0.00 46.19 44.40 1j0j s LEU 575 CO 0.09 0.05 0.42 -0.81 0.23 0.00 0.00 176.35 176.33 1j0j n PRO 576 N -0.42 0.14 -1.72 1.29 -0.04 -1.26 -0.11 135.00 132.88 1j0j n PRO 576 Ca -0.08 -1.00 -0.42 0.00 -0.04 0.00 0.00 63.50 61.96 1j0j n PRO 576 Cb 0.57 -0.32 -0.01 0.00 -0.04 0.00 0.00 33.50 33.70 1j0j n PRO 576 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1j0j n PRO 577 N -1.81 2.31 -3.85 0.54 -0.02 -1.26 -1.41 135.00 129.50 1j0j n PRO 577 Ca 0.06 0.81 -0.30 0.00 -2.02 0.00 0.00 63.50 62.05 1j0j n PRO 577 Cb 0.23 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 1j0j n PRO 577 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1j0j n TYR 578 N 0.49 -1.66 -2.40 6.00 4.01 -0.58 -4.90 117.16 118.12 1j0j n TYR 578 Ca 0.04 0.59 -0.30 0.00 -0.16 0.00 0.00 57.90 58.07 1j0j n TYR 578 Cb 0.37 -2.51 -0.01 0.00 -0.31 0.00 0.00 39.34 36.87 1j0j n TYR 578 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1j0j s GLY 579 N -2.97 1.80 0.17 2.72 0.00 -0.50 -4.83 107.32 103.70 1j0j s GLY 579 Ca 0.59 -0.14 -0.12 0.00 0.00 0.00 0.00 44.72 45.04 1j0j s GLY 579 CO 0.72 0.09 0.37 -0.11 0.00 0.00 0.00 173.10 174.17 1j0j s PHE 580 N -2.75 0.15 -0.10 1.90 -0.71 -1.26 -0.93 117.98 114.28 1j0j s PHE 580 Ca 0.53 -0.51 -0.30 0.00 -1.04 0.00 0.00 56.93 55.61 1j0j s PHE 580 Cb -0.10 0.12 0.08 0.00 -1.21 0.00 0.00 43.02 41.91 1j0j s PHE 580 CO 0.41 -0.77 0.74 0.54 -1.34 0.00 0.00 175.22 174.79 1j0j s VAL 581 N -3.91 0.00 0.05 -2.49 0.11 -0.99 -5.03 120.40 108.14 1j0j s VAL 581 Ca 0.12 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.24 1j0j s VAL 581 Cb 0.02 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1j0j s VAL 581 CO -0.03 0.00 -0.20 -0.76 -3.33 0.00 0.00 175.10 170.78 1j0j s LEU 582 N -0.93 2.18 0.04 2.54 1.02 -1.26 -2.06 118.68 120.22 1j0j s LEU 582 Ca -0.08 -0.54 0.03 0.00 0.02 0.00 0.00 54.13 53.56 1j0j s LEU 582 Cb -0.01 -0.94 -0.02 0.00 0.02 0.00 0.00 46.19 45.24 1j0j s LEU 582 CO 0.07 0.14 -0.09 -0.31 0.02 0.00 0.00 176.35 176.18 1j0j s TYR 583 N -0.85 0.79 -0.18 0.29 4.12 0.59 -0.85 117.35 121.27 1j0j s TYR 583 Ca 0.07 -0.45 -0.08 0.00 0.02 0.00 0.00 57.07 56.63 1j0j s TYR 583 Cb -0.09 -0.47 -0.04 0.00 -1.52 0.00 0.00 41.96 39.84 1j0j s TYR 583 CO 0.02 -0.04 0.09 0.00 0.02 0.00 0.00 175.55 175.63 1j0j s ALA 584 N -1.23 3.52 -0.24 3.71 0.00 -0.92 0.88 121.76 127.49 1j0j s ALA 584 Ca -0.07 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 1j0j s ALA 584 Cb -0.09 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1j0j s ALA 584 CO 0.01 0.21 0.12 0.42 0.00 0.00 0.00 175.76 176.51 1j0j s ILE 585 N 0.25 4.85 -0.16 0.00 -1.09 0.49 -2.06 121.20 123.47 1j0j s ILE 585 Ca 0.06 0.01 -0.05 0.00 -2.23 0.00 0.00 60.65 58.44 1j0j s ILE 585 Cb -0.12 -3.26 -0.03 0.00 -1.58 0.00 0.00 42.46 37.47 1j0j s ILE 585 CO -0.00 0.34 -0.01 -1.61 -1.23 0.00 0.00 174.94 172.42 1j0j s GLU 586 N 1.31 3.75 -0.48 2.79 2.02 -0.24 -4.09 118.70 123.76 1j0j s GLU 586 Ca 0.06 -0.47 -0.10 0.00 0.02 0.00 0.00 54.97 54.47 1j0j s GLU 586 Cb -0.15 -2.99 0.12 0.00 0.10 0.00 0.00 34.13 31.21 1j0j s GLU 586 CO 0.05 0.26 0.36 -1.01 0.02 0.00 0.00 175.26 174.94 1j0j s HIS 587 N 0.34 3.39 -2.41 1.61 3.76 -1.26 -1.38 115.29 119.35 1j0j s HIS 587 Ca -0.02 -1.74 0.19 0.00 -0.15 0.00 0.00 55.06 53.34 1j0j s HIS 587 Cb -0.14 -3.49 0.15 0.00 1.11 0.00 0.00 32.58 30.22 1j0j s HIS 587 CO 0.02 -0.98 1.11 0.91 -0.85 0.00 0.00 174.74 174.95