#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0i s ARG 2 N 0.00 3.16 0.37 0.03 1.81 -1.26 -4.92 118.95 118.14 1j0i s ARG 2 Ca 0.00 -0.80 0.09 0.00 -1.72 0.00 0.00 55.73 53.30 1j0i s ARG 2 Cb 0.00 -4.11 0.72 0.00 -0.45 0.00 0.00 34.95 31.12 1j0i s ARG 2 CO 0.00 -1.31 1.87 0.87 -0.68 0.00 0.00 175.30 176.05 1j0i h LYS 3 N 9.09 0.21 0.00 3.54 1.57 -2.03 -2.68 116.57 126.27 1j0i h LYS 3 Ca -0.27 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1j0i h LYS 3 Cb 1.09 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1j0i h LYS 3 CO 1.00 0.42 0.00 0.93 -0.57 0.00 0.00 179.45 181.23 1j0i h GLU 4 N 0.20 0.00 0.00 3.15 3.07 -2.03 -2.34 114.58 116.63 1j0i h GLU 4 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1j0i h GLU 4 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1j0i h GLU 4 CO 0.03 0.00 -1.14 0.00 -1.40 0.00 0.00 179.01 176.50 1j0i n ALA 5 N -2.05 3.87 -2.59 3.43 0.00 -1.01 -4.93 120.51 117.23 1j0i n ALA 5 Ca -0.02 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 1j0i n ALA 5 Cb 0.14 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 1j0i n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j0i s ILE 6 N -3.16 4.79 -0.11 0.00 1.01 -0.88 -4.08 121.20 118.77 1j0i s ILE 6 Ca 0.04 2.01 -0.15 0.00 0.00 0.00 0.00 60.65 62.55 1j0i s ILE 6 Cb 0.15 -4.29 0.04 0.00 0.01 0.00 0.00 42.46 38.36 1j0i s ILE 6 CO 0.84 0.21 0.38 -0.47 0.00 0.00 0.00 174.94 175.90 1j0i s TYR 7 N 0.71 -0.37 -0.23 3.97 5.04 0.03 -5.00 117.35 121.49 1j0i s TYR 7 Ca 0.49 0.84 -0.27 0.00 -2.44 0.00 0.00 57.07 55.70 1j0i s TYR 7 Cb -0.21 0.14 0.12 0.00 0.35 0.00 0.00 41.96 42.36 1j0i s TYR 7 CO 0.28 -0.27 0.98 -1.58 -1.34 0.00 0.00 175.55 173.61 1j0i s HIS 8 N -0.27 -0.48 -0.23 4.97 5.65 -1.26 -2.22 115.29 121.45 1j0i s HIS 8 Ca -0.04 1.06 -0.05 0.00 0.25 0.00 0.00 55.06 56.27 1j0i s HIS 8 Cb -0.03 0.38 0.12 0.00 -1.18 0.00 0.00 32.58 31.87 1j0i s HIS 8 CO 0.02 -0.29 0.46 0.50 -0.65 0.00 0.00 174.74 174.77 1j0i s ARG 9 N -0.23 0.39 0.00 2.88 3.52 -1.26 -5.06 118.95 119.19 1j0i s ARG 9 Ca 0.01 0.95 0.00 0.00 -0.13 0.00 0.00 55.73 56.55 1j0i s ARG 9 Cb -0.03 0.20 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 1j0i s ARG 9 CO -0.03 -0.39 0.05 -0.35 -0.81 0.00 0.00 175.30 173.77 1j0i n PRO 10 N 5.40 0.00 -3.30 5.12 -0.04 -1.26 -4.44 135.00 136.47 1j0i n PRO 10 Ca -0.07 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1j0i n PRO 10 Cb 0.50 -0.80 0.01 0.00 -0.04 0.00 0.00 33.50 33.17 1j0i n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j0i n ALA 11 N 2.11 -2.30 -0.33 0.55 0.00 -1.25 -4.84 120.51 114.45 1j0i n ALA 11 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1j0i n ALA 11 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1j0i n ALA 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1j0i n ASP 12 N -0.95 0.00 0.07 0.00 8.00 -1.25 -1.52 116.55 120.89 1j0i n ASP 12 Ca 0.01 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.64 1j0i n ASP 12 Cb 0.42 0.00 0.42 0.00 -0.02 0.00 0.00 41.12 41.94 1j0i n ASP 12 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1j0i n ASN 13 N 3.62 0.59 0.06 -2.24 6.94 -1.26 -3.95 115.26 119.02 1j0i n ASN 13 Ca 0.00 0.45 0.05 0.00 -0.02 0.00 0.00 54.58 55.06 1j0i n ASN 13 Cb 0.00 -0.54 -0.05 0.00 -2.36 0.00 0.00 39.78 36.84 1j0i n ASN 13 CO 0.00 0.00 0.00 -0.26 -1.03 0.00 0.00 177.26 175.97 1j0i h PHE 14 N 0.00 0.00 -2.26 -2.53 -1.00 -1.52 -3.42 116.94 106.21 1j0i h PHE 14 Ca 0.00 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1j0i h PHE 14 Cb 0.67 0.00 -0.26 0.00 3.61 0.00 0.00 35.95 39.97 1j0i h PHE 14 CO 0.00 0.35 -0.34 0.00 -1.61 0.00 0.00 178.31 176.71 1j0i s ALA 15 N -3.10 -1.34 0.10 2.45 0.00 -0.94 -0.58 121.76 118.35 1j0i s ALA 15 Ca -0.02 1.56 -0.25 0.00 0.00 0.00 0.00 51.96 53.25 1j0i s ALA 15 Cb 0.09 -1.49 0.08 0.00 0.00 0.00 0.00 23.12 21.80 1j0i s ALA 15 CO 0.80 -0.89 0.73 1.52 0.00 0.00 0.00 175.76 177.92 1j0i s TYR 16 N 2.66 -0.44 0.07 0.00 -0.85 -0.91 -3.74 117.35 114.14 1j0i s TYR 16 Ca 0.01 0.24 -0.24 0.00 -0.52 0.00 0.00 57.07 56.56 1j0i s TYR 16 Cb -0.13 0.56 -0.06 0.00 0.38 0.00 0.00 41.96 42.71 1j0i s TYR 16 CO -0.15 -0.74 0.74 0.00 -1.52 0.00 0.00 175.55 173.88 1j0i s ALA 17 N -3.49 3.41 -0.08 9.51 0.00 -1.26 0.04 121.76 129.89 1j0i s ALA 17 Ca 0.03 0.26 0.11 0.00 0.00 0.00 0.00 51.96 52.36 1j0i s ALA 17 Cb -0.01 -2.94 -0.24 0.00 0.00 0.00 0.00 23.12 19.93 1j0i s ALA 17 CO -0.10 0.14 0.52 0.98 0.00 0.00 0.00 175.76 177.30 1j0i n TYR 18 N 2.48 0.86 -3.76 0.00 9.36 0.52 -4.60 117.16 122.02 1j0i n TYR 18 Ca -0.04 0.29 -0.09 0.00 3.32 0.00 0.00 57.90 61.38 1j0i n TYR 18 Cb 0.50 -1.15 0.01 0.00 -0.63 0.00 0.00 39.34 38.07 1j0i n TYR 18 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1j0i n ASP 19 N -3.05 -1.75 0.03 2.98 3.85 -1.20 -4.94 116.55 112.47 1j0i n ASP 19 Ca -0.22 -2.44 0.02 0.00 -0.71 0.00 0.00 54.79 51.45 1j0i n ASP 19 Cb 1.07 2.98 0.09 0.00 -1.35 0.00 0.00 41.12 43.91 1j0i n ASP 19 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1j0i n SER 20 N -1.52 0.09 0.00 -1.12 3.41 -1.26 -2.89 113.62 110.33 1j0i n SER 20 Ca -0.05 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1j0i n SER 20 Cb 0.51 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1j0i n SER 20 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1j0i n GLU 21 N -1.52 0.00 -5.06 4.33 0.28 -1.26 -4.86 120.64 112.55 1j0i n GLU 21 Ca -0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 1j0i n GLU 21 Cb 0.15 -0.34 -0.15 0.00 1.43 0.00 0.00 31.44 32.54 1j0i n GLU 21 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1j0i s THR 22 N 0.00 2.54 0.03 3.84 2.01 -1.14 -4.00 115.64 118.92 1j0i s THR 22 Ca 0.00 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.16 1j0i s THR 22 Cb 0.00 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1j0i s THR 22 CO 0.00 0.57 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.64 1j0i s LEU 23 N -0.21 3.01 -0.06 4.42 1.43 -0.37 -0.35 118.68 126.55 1j0i s LEU 23 Ca -0.01 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1j0i s LEU 23 Cb -0.13 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1j0i s LEU 23 CO 0.03 0.26 -0.06 -1.00 0.23 0.00 0.00 176.35 175.81 1j0i s HIS 24 N -1.01 2.95 -0.03 0.29 3.76 0.11 -1.70 115.29 119.65 1j0i s HIS 24 Ca 0.17 0.03 0.01 0.00 -0.15 0.00 0.00 55.06 55.12 1j0i s HIS 24 Cb -0.11 -1.71 0.02 0.00 1.11 0.00 0.00 32.58 31.90 1j0i s HIS 24 CO 0.08 0.35 -0.04 -0.51 -0.85 0.00 0.00 174.74 173.77 1j0i s LEU 25 N -0.90 1.39 0.34 0.89 1.43 -0.38 -2.15 118.68 119.30 1j0i s LEU 25 Ca 0.13 -0.10 0.10 0.00 -1.03 0.00 0.00 54.13 53.23 1j0i s LEU 25 Cb -0.11 -0.37 -0.06 0.00 0.03 0.00 0.00 46.19 45.68 1j0i s LEU 25 CO 0.02 -0.05 -0.09 -0.13 0.23 0.00 0.00 176.35 176.33 1j0i s ARG 26 N 0.79 1.84 -0.13 1.70 0.52 0.25 -2.24 118.95 121.68 1j0i s ARG 26 Ca -0.10 -1.91 -0.17 0.00 -0.52 0.00 0.00 55.73 53.04 1j0i s ARG 26 Cb -0.13 -1.73 0.04 0.00 0.52 0.00 0.00 34.95 33.65 1j0i s ARG 26 CO -0.00 0.15 0.44 -1.17 0.02 0.00 0.00 175.30 174.74 1j0i s LEU 27 N -3.61 0.31 -0.02 2.53 2.96 -0.95 -4.85 118.68 115.06 1j0i s LEU 27 Ca 0.33 0.73 0.05 0.00 -0.22 0.00 0.00 54.13 55.01 1j0i s LEU 27 Cb 0.02 1.57 -0.01 0.00 0.50 0.00 0.00 46.19 48.27 1j0i s LEU 27 CO 0.17 -0.25 -0.17 0.00 -1.32 0.00 0.00 176.35 174.77 1j0i s ARG 28 N -0.19 1.46 0.34 1.98 1.04 -0.94 -0.26 118.95 122.38 1j0i s ARG 28 Ca -0.04 -0.61 0.04 0.00 -1.04 0.00 0.00 55.73 54.08 1j0i s ARG 28 Cb -0.03 -1.39 -0.04 0.00 -2.04 0.00 0.00 34.95 31.46 1j0i s ARG 28 CO 0.02 0.35 0.14 0.95 -0.04 0.00 0.00 175.30 176.72 1j0i s THR 29 N -0.33 0.50 0.20 4.99 -4.23 -0.75 -0.79 115.64 115.24 1j0i s THR 29 Ca 0.05 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.26 1j0i s THR 29 Cb -0.07 -2.49 -0.09 0.00 1.34 0.00 0.00 72.50 71.18 1j0i s THR 29 CO -0.00 0.00 1.40 -0.75 -0.54 0.00 0.00 174.62 174.72 1j0i s LYS 30 N -3.77 4.32 -0.15 3.99 2.20 -1.26 -1.06 119.74 124.01 1j0i s LYS 30 Ca 0.32 2.18 -0.38 0.00 -0.36 0.00 0.00 55.97 57.73 1j0i s LYS 30 Cb 0.04 -3.16 -0.15 0.00 -1.51 0.00 0.00 37.83 33.05 1j0i s LYS 30 CO 0.17 -0.38 1.65 1.17 -0.36 0.00 0.00 175.35 177.60 1j0i n LYS 31 N 2.81 1.30 -1.13 4.03 4.81 -0.22 -0.77 118.16 129.00 1j0i n LYS 31 Ca 0.08 0.48 -0.04 0.00 -0.87 0.00 0.00 58.31 57.95 1j0i n LYS 31 Cb 0.41 -2.17 -0.02 0.00 0.02 0.00 0.00 35.03 33.27 1j0i n LYS 31 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1j0i n ASP 32 N 4.71 -4.94 0.14 3.14 8.00 -1.26 -4.87 116.55 121.47 1j0i n ASP 32 Ca 0.24 0.11 0.11 0.00 0.71 0.00 0.00 54.79 55.96 1j0i n ASP 32 Cb 0.17 -2.83 0.04 0.00 -0.02 0.00 0.00 41.12 38.49 1j0i n ASP 32 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1j0i h ASP 33 N 0.00 0.00 -3.88 -2.24 3.58 -1.32 -3.45 116.42 109.11 1j0i h ASP 33 Ca -0.09 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.76 1j0i h ASP 33 Cb 0.76 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 41.49 1j0i h ASP 33 CO 0.13 0.01 -0.85 -0.63 -2.88 0.00 0.00 179.24 175.02 1j0i s ILE 34 N -3.32 1.61 -0.05 2.25 -1.09 -1.26 -4.79 121.20 114.56 1j0i s ILE 34 Ca 0.01 -0.81 -0.22 0.00 -2.23 0.00 0.00 60.65 57.41 1j0i s ILE 34 Cb 0.08 -1.38 -0.31 0.00 -1.58 0.00 0.00 42.46 39.27 1j0i s ILE 34 CO 0.76 0.46 0.89 0.44 -1.23 0.00 0.00 174.94 176.26 1j0i h ASP 35 N 6.26 0.47 -5.07 3.58 3.32 -1.47 -3.48 116.42 120.04 1j0i h ASP 35 Ca -0.32 -0.95 -0.12 0.00 0.02 0.00 0.00 57.03 55.66 1j0i h ASP 35 Cb 1.18 -0.15 -0.18 0.00 0.22 0.00 0.00 39.33 40.40 1j0i h ASP 35 CO 0.48 1.40 -0.49 -0.13 -1.72 0.00 0.00 179.24 178.78 1j0i s ARG 36 N -2.43 0.61 -0.02 3.56 0.52 -1.19 -5.03 118.95 114.96 1j0i s ARG 36 Ca -0.14 -0.69 0.02 0.00 -0.52 0.00 0.00 55.73 54.40 1j0i s ARG 36 Cb 0.01 0.24 0.01 0.00 0.52 0.00 0.00 34.95 35.73 1j0i s ARG 36 CO 0.83 -0.16 -0.06 0.08 0.02 0.00 0.00 175.30 176.02 1j0i s VAL 37 N -2.49 0.52 -0.03 3.52 1.01 -1.26 -1.37 120.40 120.29 1j0i s VAL 37 Ca -0.06 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.78 1j0i s VAL 37 Cb -0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 1j0i s VAL 37 CO -0.04 0.18 -0.23 -1.61 0.00 0.00 0.00 175.10 173.41 1j0i s GLU 38 N 0.36 2.09 -0.09 2.72 2.02 -0.26 0.53 118.70 126.08 1j0i s GLU 38 Ca -0.05 -0.83 -0.23 0.00 0.02 0.00 0.00 54.97 53.89 1j0i s GLU 38 Cb -0.09 -1.90 -0.03 0.00 0.10 0.00 0.00 34.13 32.21 1j0i s GLU 38 CO -0.00 0.42 0.69 -1.17 0.02 0.00 0.00 175.26 175.23 1j0i s LEU 39 N -0.33 4.28 -0.21 1.80 2.96 0.34 -1.08 118.68 126.44 1j0i s LEU 39 Ca 0.03 1.13 -0.10 0.00 -0.22 0.00 0.00 54.13 54.96 1j0i s LEU 39 Cb -0.11 -3.06 -0.05 0.00 0.50 0.00 0.00 46.19 43.48 1j0i s LEU 39 CO 0.01 -0.16 0.14 -0.22 -1.32 0.00 0.00 176.35 174.80 1j0i s LEU 40 N 1.05 4.19 0.07 -0.68 0.20 -0.60 -0.84 118.68 122.08 1j0i s LEU 40 Ca 0.36 0.21 -0.17 0.00 0.69 0.00 0.00 54.13 55.22 1j0i s LEU 40 Cb -0.17 -2.10 0.04 0.00 -0.43 0.00 0.00 46.19 43.52 1j0i s LEU 40 CO 0.16 0.16 0.41 -1.38 -0.29 0.00 0.00 176.35 175.41 1j0i s HIS 41 N 0.50 -0.24 -0.05 5.38 -3.43 -0.85 -1.07 115.29 115.53 1j0i s HIS 41 Ca 0.08 0.11 -0.31 0.00 -0.80 0.00 0.00 55.06 54.14 1j0i s HIS 41 Cb -0.12 0.23 0.13 0.00 -1.43 0.00 0.00 32.58 31.39 1j0i s HIS 41 CO -0.01 -0.62 1.32 0.20 -2.00 0.00 0.00 174.74 173.64 1j0i s GLY 42 N -2.28 -0.43 0.15 -1.38 0.00 -1.03 -0.49 107.32 101.86 1j0i s GLY 42 Ca -0.02 0.81 -0.30 0.00 0.00 0.00 0.00 44.72 45.21 1j0i s GLY 42 CO -0.06 0.16 1.05 -0.35 0.00 0.00 0.00 173.10 173.90 1j0i s ASP 43 N -2.94 7.36 0.00 1.64 2.15 -1.26 -1.91 116.67 121.71 1j0i s ASP 43 Ca 0.14 1.98 0.08 0.00 0.43 0.00 0.00 52.55 55.18 1j0i s ASP 43 Cb 0.05 -2.60 0.36 0.00 -0.30 0.00 0.00 42.92 40.44 1j0i s ASP 43 CO -0.05 -0.16 1.22 -0.81 -0.17 0.00 0.00 175.17 175.21 1j0i n PRO 44 N 2.51 0.03 -0.05 4.34 -0.04 -1.26 -2.42 135.00 138.11 1j0i n PRO 44 Ca 0.03 0.32 0.04 0.00 -0.04 0.00 0.00 63.50 63.84 1j0i n PRO 44 Cb 0.47 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.50 1j0i n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1j0i n TYR 45 N -1.44 0.06 -3.12 0.54 4.02 -1.26 -4.93 117.16 111.03 1j0i n TYR 45 Ca 0.03 -0.69 -0.45 0.00 -0.01 0.00 0.00 57.90 56.78 1j0i n TYR 45 Cb 0.09 -0.09 -0.04 0.00 -0.02 0.00 0.00 39.34 39.27 1j0i n TYR 45 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1j0i s ASP 46 N -1.70 6.32 0.06 7.72 3.68 -1.02 -5.02 116.67 126.71 1j0i s ASP 46 Ca 0.14 -1.68 0.07 0.00 2.13 0.00 0.00 52.55 53.21 1j0i s ASP 46 Cb 0.12 -2.30 -0.03 0.00 -1.45 0.00 0.00 42.92 39.26 1j0i s ASP 46 CO 0.02 -1.04 -0.20 0.26 0.13 0.00 0.00 175.17 174.34 1j0i s TRP 47 N 2.35 1.75 -0.19 -5.34 0.52 -1.26 -0.69 118.94 116.08 1j0i s TRP 47 Ca 0.15 -0.38 -0.07 0.00 0.02 0.00 0.00 56.10 55.82 1j0i s TRP 47 Cb -0.20 -1.02 0.09 0.00 -1.15 0.00 0.00 33.47 31.19 1j0i s TRP 47 CO 0.02 0.12 0.41 -0.65 0.02 0.00 0.00 176.95 176.87 1j0i s GLN 48 N -1.37 0.31 -1.02 4.98 -0.21 -0.83 -4.89 119.66 116.63 1j0i s GLN 48 Ca 0.07 1.01 -0.02 0.00 0.02 0.00 0.00 55.36 56.43 1j0i s GLN 48 Cb -0.09 0.29 0.00 0.00 1.00 0.00 0.00 33.01 34.21 1j0i s GLN 48 CO 0.02 -0.25 0.86 0.09 -2.12 0.00 0.00 175.29 173.89 1j0i n ASN 49 N 5.33 -2.84 -1.92 5.90 5.03 -1.26 -1.76 115.26 123.74 1j0i n ASN 49 Ca -0.09 -0.50 -0.14 0.00 0.87 0.00 0.00 54.58 54.72 1j0i n ASN 49 Cb 0.50 -4.30 -0.03 0.00 -1.02 0.00 0.00 39.78 34.93 1j0i n ASN 49 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j0i n GLY 50 N -1.25 0.41 3.03 7.41 0.00 -1.26 -4.92 105.19 108.61 1j0i n GLY 50 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1j0i n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0i s ALA 51 N -2.44 2.27 0.12 4.61 0.00 -0.72 -4.90 121.76 120.69 1j0i s ALA 51 Ca 0.00 -1.48 -0.31 0.00 0.00 0.00 0.00 51.96 50.17 1j0i s ALA 51 Cb 0.00 -1.43 -0.10 0.00 0.00 0.00 0.00 23.12 21.59 1j0i s ALA 51 CO 0.00 -1.01 1.79 -0.46 0.00 0.00 0.00 175.76 176.08 1j0i s TRP 52 N 1.26 2.25 -0.13 0.00 -0.00 -1.26 -1.96 118.94 119.10 1j0i s TRP 52 Ca -0.05 0.07 -0.24 0.00 -0.00 0.00 0.00 56.10 55.88 1j0i s TRP 52 Cb -0.18 -4.13 -0.03 0.00 -0.00 0.00 0.00 33.47 29.13 1j0i s TRP 52 CO -0.07 -4.63 0.76 -0.65 -0.00 0.00 0.00 176.95 172.36 1j0i s GLN 53 N 2.62 4.35 0.16 5.86 -1.52 0.13 -4.97 119.66 126.29 1j0i s GLN 53 Ca 0.79 0.92 -0.09 0.00 -1.95 0.00 0.00 55.36 55.03 1j0i s GLN 53 Cb -0.45 -3.52 -0.01 0.00 -0.22 0.00 0.00 33.01 28.81 1j0i s GLN 53 CO 0.35 -0.15 0.28 -0.59 -0.25 0.00 0.00 175.29 174.93 1j0i s PHE 54 N 1.53 0.37 0.34 0.91 -0.71 -1.26 -4.14 117.98 115.01 1j0i s PHE 54 Ca 0.37 -0.73 0.03 0.00 -1.04 0.00 0.00 56.93 55.56 1j0i s PHE 54 Cb -0.17 -0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 41.54 1j0i s PHE 54 CO 0.15 -0.71 0.09 -0.65 -1.34 0.00 0.00 175.22 172.76 1j0i s GLN 55 N -3.96 1.68 -0.12 1.99 1.11 0.35 -4.93 119.66 115.78 1j0i s GLN 55 Ca 0.16 -1.96 0.02 0.00 0.01 0.00 0.00 55.36 53.59 1j0i s GLN 55 Cb 0.03 -0.64 -0.00 0.00 -1.01 0.00 0.00 33.01 31.39 1j0i s GLN 55 CO -0.01 -0.30 -0.20 -1.64 0.01 0.00 0.00 175.29 173.15 1j0i s MET 56 N -3.87 3.15 -0.16 2.91 -1.94 -1.26 -2.00 119.30 116.13 1j0i s MET 56 Ca 0.33 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.50 1j0i s MET 56 Cb 0.07 -2.46 0.03 0.00 2.01 0.00 0.00 34.83 34.48 1j0i s MET 56 CO 0.15 0.12 -0.09 1.41 -0.01 0.00 0.00 175.02 176.60 1j0i s MET 57 N 0.52 1.77 0.35 2.03 1.75 -0.02 -4.93 119.30 120.77 1j0i s MET 57 Ca -0.12 -0.55 -0.29 0.00 -1.25 0.00 0.00 55.69 53.48 1j0i s MET 57 Cb -0.17 -2.05 -0.11 0.00 2.84 0.00 0.00 34.83 35.35 1j0i s MET 57 CO 0.05 -0.36 1.43 -2.14 -0.65 0.00 0.00 175.02 173.35 1j0i s PRO 58 N 1.56 4.20 0.01 4.11 0.02 -1.26 0.13 135.00 143.77 1j0i s PRO 58 Ca 0.02 2.44 -0.06 0.00 0.02 0.00 0.00 61.00 63.42 1j0i s PRO 58 Cb -0.14 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.31 1j0i s PRO 58 CO -0.09 -0.42 0.25 -1.64 -0.33 0.00 0.00 177.00 174.78 1j0i s MET 59 N -1.75 3.55 -0.16 5.54 -1.94 0.19 -4.79 119.30 119.95 1j0i s MET 59 Ca 0.53 -0.13 -0.11 0.00 -1.71 0.00 0.00 55.69 54.26 1j0i s MET 59 Cb -0.44 -3.07 -0.05 0.00 2.01 0.00 0.00 34.83 33.28 1j0i s MET 59 CO 0.57 0.64 0.22 0.50 -0.01 0.00 0.00 175.02 176.95 1j0i s ARG 60 N -1.85 4.08 -0.29 2.03 3.52 -0.14 -4.52 118.95 121.78 1j0i s ARG 60 Ca 0.28 -0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.57 1j0i s ARG 60 Cb -0.13 -3.37 -0.01 0.00 -1.56 0.00 0.00 34.95 29.88 1j0i s ARG 60 CO 0.17 0.38 1.43 0.21 -0.81 0.00 0.00 175.30 176.68 1j0i s LYS 61 N 0.09 3.83 0.06 5.12 2.20 -1.26 -0.10 119.74 129.67 1j0i s LYS 61 Ca 0.14 1.35 0.24 0.00 -0.36 0.00 0.00 55.97 57.35 1j0i s LYS 61 Cb -0.12 -3.95 0.36 0.00 -1.51 0.00 0.00 37.83 32.60 1j0i s LYS 61 CO 0.03 -1.24 1.31 0.25 -0.36 0.00 0.00 175.35 175.33 1j0i n THR 62 N 6.39 0.18 -0.78 3.43 -2.24 -0.31 -4.96 114.28 116.00 1j0i n THR 62 Ca 0.16 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1j0i n THR 62 Cb 0.46 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1j0i n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j0i n GLY 63 N 1.41 -2.34 3.48 3.38 0.00 -1.24 -4.90 105.19 104.98 1j0i n GLY 63 Ca 0.04 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 1j0i n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j0i s SER 64 N -0.82 -0.58 0.00 1.61 1.04 -1.26 -0.91 113.70 112.78 1j0i s SER 64 Ca 0.00 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1j0i s SER 64 Cb 0.00 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1j0i s SER 64 CO 0.00 -0.46 0.00 -0.90 0.98 0.00 0.00 173.24 172.86 1j0i n ASP 65 N 1.53 0.68 -0.34 7.02 5.68 -0.70 -4.53 116.55 125.89 1j0i n ASP 65 Ca -0.18 -0.07 0.10 0.00 -0.50 0.00 0.00 54.79 54.14 1j0i n ASP 65 Cb 0.56 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.82 1j0i n ASP 65 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1j0i h GLU 66 N 0.00 0.76 0.00 0.11 4.57 -1.95 -3.31 114.58 114.76 1j0i h GLU 66 Ca 0.00 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1j0i h GLU 66 Cb 0.00 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1j0i h GLU 66 CO 0.00 0.50 -1.39 1.28 -1.18 0.00 0.00 179.01 178.22 1j0i n LEU 67 N -4.76 0.00 -4.44 1.64 4.77 -1.26 -4.94 117.00 108.01 1j0i n LEU 67 Ca 0.21 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.97 1j0i n LEU 67 Cb 0.49 0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1j0i n LEU 67 CO 0.23 0.03 -0.23 -0.36 -1.33 0.00 0.00 177.39 175.72 1j0i s PHE 68 N -2.49 1.79 -0.01 -1.77 0.08 -1.25 -1.05 117.98 113.28 1j0i s PHE 68 Ca -0.03 -1.15 0.05 0.00 0.12 0.00 0.00 56.93 55.92 1j0i s PHE 68 Cb 0.05 -1.13 -0.03 0.00 -0.57 0.00 0.00 43.02 41.34 1j0i s PHE 68 CO 0.33 -0.21 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.56 1j0i s ASP 69 N -3.49 3.87 -0.12 1.36 1.01 -0.22 -1.71 116.67 117.37 1j0i s ASP 69 Ca 0.32 -0.31 0.01 0.00 0.71 0.00 0.00 52.55 53.28 1j0i s ASP 69 Cb 0.06 -0.72 -0.01 0.00 1.01 0.00 0.00 42.92 43.26 1j0i s ASP 69 CO 0.15 0.30 -0.16 -0.31 0.21 0.00 0.00 175.17 175.36 1j0i s TYR 70 N -0.81 2.74 -0.01 4.23 2.02 -0.09 -1.81 117.35 123.63 1j0i s TYR 70 Ca 0.13 -0.74 0.01 0.00 -0.37 0.00 0.00 57.07 56.10 1j0i s TYR 70 Cb -0.11 -1.81 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 1j0i s TYR 70 CO 0.03 -0.26 0.01 -1.58 -1.57 0.00 0.00 175.55 172.17 1j0i s TRP 71 N 0.34 3.10 0.12 2.71 0.52 0.64 -1.16 118.94 125.21 1j0i s TRP 71 Ca -0.13 0.10 0.08 0.00 0.02 0.00 0.00 56.10 56.17 1j0i s TRP 71 Cb -0.16 -1.68 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 1j0i s TRP 71 CO 0.07 0.47 -0.19 0.12 0.02 0.00 0.00 176.95 177.44 1j0i s PHE 72 N -1.08 1.71 -0.28 -1.98 5.36 0.86 -2.23 117.98 120.33 1j0i s PHE 72 Ca 0.19 -0.45 -0.18 0.00 -0.96 0.00 0.00 56.93 55.54 1j0i s PHE 72 Cb -0.12 -0.91 0.12 0.00 -0.34 0.00 0.00 43.02 41.77 1j0i s PHE 72 CO 0.10 0.21 0.88 0.00 -1.46 0.00 0.00 175.22 174.96 1j0i s ALA 73 N -1.46 -2.07 0.08 11.12 0.00 -0.95 -0.97 121.76 127.50 1j0i s ALA 73 Ca 0.08 2.20 0.06 0.00 0.00 0.00 0.00 51.96 54.30 1j0i s ALA 73 Cb -0.09 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 1j0i s ALA 73 CO 0.04 -0.34 -0.06 -1.83 0.00 0.00 0.00 175.76 173.58 1j0i s GLU 74 N 1.17 2.35 -0.17 0.00 -1.05 -1.26 -1.25 118.70 118.50 1j0i s GLU 74 Ca -0.07 -0.90 -0.14 0.00 -0.15 0.00 0.00 54.97 53.71 1j0i s GLU 74 Cb -0.04 -2.42 0.04 0.00 -0.44 0.00 0.00 34.13 31.27 1j0i s GLU 74 CO -0.14 0.54 0.43 0.54 0.95 0.00 0.00 175.26 177.58 1j0i s VAL 75 N -1.21 -0.00 -0.51 1.83 0.11 -0.69 -4.97 120.40 114.96 1j0i s VAL 75 Ca 0.22 0.01 -0.14 0.00 -2.93 0.00 0.00 61.98 59.14 1j0i s VAL 75 Cb -0.11 -0.61 0.12 0.00 -1.53 0.00 0.00 36.38 34.24 1j0i s VAL 75 CO 0.14 0.01 0.44 -0.54 -3.33 0.00 0.00 175.10 171.81 1j0i s LYS 76 N 0.40 2.84 0.14 1.54 1.02 -1.26 -1.24 119.74 123.18 1j0i s LYS 76 Ca -0.01 -1.67 -0.32 0.00 0.02 0.00 0.00 55.97 53.98 1j0i s LYS 76 Cb -0.04 -4.16 -0.12 0.00 -0.52 0.00 0.00 37.83 32.99 1j0i s LYS 76 CO -0.01 -1.24 1.73 -2.30 -0.92 0.00 0.00 175.35 172.61 1j0i n PRO 77 N 5.14 2.56 -0.27 -1.68 -0.02 -1.26 -4.86 135.00 134.62 1j0i n PRO 77 Ca -0.12 0.93 0.08 0.00 -2.02 0.00 0.00 63.50 62.37 1j0i n PRO 77 Cb 0.41 -2.77 0.22 0.00 -0.02 0.00 0.00 33.50 31.34 1j0i n PRO 77 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1j0i h PRO 78 N 7.32 0.33 -0.17 0.52 0.13 -1.95 -2.03 132.00 136.15 1j0i h PRO 78 Ca -0.45 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 1j0i h PRO 78 Cb 1.23 -0.07 -0.11 0.00 0.13 0.00 0.00 31.00 32.17 1j0i h PRO 78 CO 0.93 0.22 -0.59 0.66 -0.23 0.00 0.00 178.00 178.99 1j0i n TYR 79 N -5.10 0.63 -1.41 1.56 4.02 -1.26 -4.96 117.16 110.63 1j0i n TYR 79 Ca 0.17 -1.64 -0.15 0.00 -0.01 0.00 0.00 57.90 56.27 1j0i n TYR 79 Cb 0.51 -0.27 -0.06 0.00 -0.02 0.00 0.00 39.34 39.50 1j0i n TYR 79 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1j0i n ARG 80 N -0.98 -1.59 -4.53 -0.72 1.74 -0.76 -4.94 116.66 104.87 1j0i n ARG 80 Ca 0.24 1.00 -0.27 0.00 -0.77 0.00 0.00 57.85 58.04 1j0i n ARG 80 Cb 0.77 -5.38 -0.13 0.00 -1.02 0.00 0.00 32.46 26.69 1j0i n ARG 80 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1j0i s ARG 81 N -3.22 1.42 -0.20 5.56 0.52 -1.26 -1.33 118.95 120.44 1j0i s ARG 81 Ca 0.00 -1.16 -0.21 0.00 -0.52 0.00 0.00 55.73 53.84 1j0i s ARG 81 Cb 0.00 -1.71 0.06 0.00 0.52 0.00 0.00 34.95 33.82 1j0i s ARG 81 CO 0.00 0.42 0.57 -1.17 0.02 0.00 0.00 175.30 175.14 1j0i s LEU 82 N -1.65 -0.19 -0.05 2.53 2.96 -0.79 -4.46 118.68 117.02 1j0i s LEU 82 Ca 0.10 1.08 0.04 0.00 -0.22 0.00 0.00 54.13 55.14 1j0i s LEU 82 Cb -0.10 1.99 -0.00 0.00 0.50 0.00 0.00 46.19 48.58 1j0i s LEU 82 CO 0.04 -0.24 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.52 1j0i s ARG 83 N 0.13 1.97 0.19 1.98 1.81 -0.80 -0.94 118.95 123.29 1j0i s ARG 83 Ca -0.01 -0.64 -0.10 0.00 -1.72 0.00 0.00 55.73 53.26 1j0i s ARG 83 Cb -0.04 -1.66 -0.01 0.00 -0.45 0.00 0.00 34.95 32.79 1j0i s ARG 83 CO 0.02 0.22 0.35 1.52 -0.68 0.00 0.00 175.30 176.72 1j0i s TYR 84 N 0.14 0.41 0.16 -0.53 1.13 -0.53 -2.45 117.35 115.67 1j0i s TYR 84 Ca -0.07 -0.76 0.00 0.00 -1.41 0.00 0.00 57.07 54.84 1j0i s TYR 84 Cb -0.13 0.01 0.00 0.00 -1.10 0.00 0.00 41.96 40.74 1j0i s TYR 84 CO 0.03 -0.81 0.21 0.41 -2.51 0.00 0.00 175.55 172.88 1j0i n GLY 85 N -0.28 2.83 2.83 5.49 0.00 -0.23 -0.92 105.19 114.91 1j0i n GLY 85 Ca -0.05 -1.54 -0.19 0.00 0.00 0.00 0.00 46.02 44.24 1j0i n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j0i s PHE 86 N -3.77 0.48 -0.29 1.61 0.08 -0.36 -1.55 117.98 114.18 1j0i s PHE 86 Ca 0.14 -0.07 -0.07 0.00 0.12 0.00 0.00 56.93 57.05 1j0i s PHE 86 Cb -0.00 -0.54 0.01 0.00 -0.57 0.00 0.00 43.02 41.92 1j0i s PHE 86 CO 0.10 -0.17 0.09 0.08 -0.10 0.00 0.00 175.22 175.21 1j0i s VAL 87 N 1.14 4.04 -0.11 -0.44 1.01 -0.24 0.67 120.40 126.47 1j0i s VAL 87 Ca -0.08 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 1j0i s VAL 87 Cb -0.14 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1j0i s VAL 87 CO -0.02 0.09 0.11 -0.76 0.00 0.00 0.00 175.10 174.53 1j0i s LEU 88 N 1.52 4.20 -0.00 3.92 1.02 0.16 -1.10 118.68 128.40 1j0i s LEU 88 Ca 0.03 0.39 0.07 0.00 0.02 0.00 0.00 54.13 54.64 1j0i s LEU 88 Cb -0.17 -2.03 -0.02 0.00 0.02 0.00 0.00 46.19 43.99 1j0i s LEU 88 CO 0.03 0.40 -0.22 -0.31 0.02 0.00 0.00 176.35 176.27 1j0i s TYR 89 N -1.01 1.96 -0.30 0.29 1.51 -0.47 -1.21 117.35 118.13 1j0i s TYR 89 Ca 0.15 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.82 1j0i s TYR 89 Cb -0.12 -1.24 0.18 0.00 -0.11 0.00 0.00 41.96 40.67 1j0i s TYR 89 CO 0.04 -0.00 0.59 0.45 -1.11 0.00 0.00 175.55 175.52 1j0i s SER 90 N -0.68 -1.29 1.98 2.29 0.15 -1.00 -1.16 113.70 113.98 1j0i s SER 90 Ca 0.09 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.64 1j0i s SER 90 Cb -0.09 2.13 0.00 0.00 -1.71 0.00 0.00 66.02 66.35 1j0i s SER 90 CO -0.00 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1j0i n GLY 91 N 5.43 3.75 0.72 9.45 0.00 -1.26 -0.03 105.19 123.24 1j0i n GLY 91 Ca -0.02 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1j0i n GLY 91 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j0i n GLU 92 N 13.96 1.91 -2.52 1.61 4.71 -1.26 -4.93 120.64 134.11 1j0i n GLU 92 Ca 0.00 -1.44 -0.39 0.00 -0.01 0.00 0.00 57.16 55.32 1j0i n GLU 92 Cb 0.00 -1.47 -0.04 0.00 -1.01 0.00 0.00 31.44 28.92 1j0i n GLU 92 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1j0i s GLU 93 N -2.09 4.47 0.00 3.49 2.12 0.95 -5.05 118.70 122.59 1j0i s GLU 93 Ca 0.30 1.66 0.00 0.00 0.36 0.00 0.00 54.97 57.29 1j0i s GLU 93 Cb 0.20 -2.94 -0.00 0.00 0.26 0.00 0.00 34.13 31.65 1j0i s GLU 93 CO 0.36 0.10 -0.01 0.21 -0.54 0.00 0.00 175.26 175.38 1j0i s LYS 94 N -1.84 0.05 -0.05 4.30 2.20 -1.26 -2.38 119.74 120.76 1j0i s LYS 94 Ca 0.49 -0.05 -0.03 0.00 -0.36 0.00 0.00 55.97 56.03 1j0i s LYS 94 Cb -0.28 -0.02 0.02 0.00 -1.51 0.00 0.00 37.83 36.05 1j0i s LYS 94 CO 0.35 0.00 0.11 -0.51 -0.36 0.00 0.00 175.35 174.94 1j0i s LEU 95 N -0.10 1.19 -0.43 5.43 1.43 -0.35 -4.70 118.68 121.15 1j0i s LEU 95 Ca -0.01 0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 53.24 1j0i s LEU 95 Cb -0.01 0.29 0.10 0.00 0.03 0.00 0.00 46.19 46.61 1j0i s LEU 95 CO -0.00 -0.09 0.25 -0.69 0.23 0.00 0.00 176.35 176.05 1j0i s VAL 96 N 0.63 3.80 -0.24 -1.59 1.01 0.07 0.39 120.40 124.47 1j0i s VAL 96 Ca -0.05 -1.77 -0.22 0.00 0.00 0.00 0.00 61.98 59.94 1j0i s VAL 96 Cb -0.07 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1j0i s VAL 96 CO -0.03 -0.64 0.71 -0.47 0.00 0.00 0.00 175.10 174.67 1j0i s TYR 97 N 1.29 3.31 0.30 5.22 5.04 0.21 -0.92 117.35 131.80 1j0i s TYR 97 Ca 0.05 0.97 0.03 0.00 -2.44 0.00 0.00 57.07 55.69 1j0i s TYR 97 Cb -0.24 -2.92 -0.04 0.00 0.35 0.00 0.00 41.96 39.12 1j0i s TYR 97 CO -0.01 -0.33 0.18 0.95 -1.34 0.00 0.00 175.55 175.00 1j0i s THR 98 N 2.52 0.21 0.58 4.34 -4.23 -0.39 -1.22 115.64 117.45 1j0i s THR 98 Ca 0.30 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.11 1j0i s THR 98 Cb -0.16 -2.50 0.35 0.00 1.34 0.00 0.00 72.50 71.54 1j0i s THR 98 CO 0.09 0.00 2.25 -0.08 -0.54 0.00 0.00 174.62 176.34 1j0i h GLU 99 N 2.25 0.00 -0.71 3.99 4.81 -0.95 -0.82 114.58 123.16 1j0i h GLU 99 Ca -0.32 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.82 1j0i h GLU 99 Cb 1.25 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.58 1j0i h GLU 99 CO 0.49 0.01 0.11 1.63 -0.73 0.00 0.00 179.01 180.51 1j0i n LYS 100 N -3.81 3.96 0.00 1.92 5.02 -0.89 -5.04 118.16 119.32 1j0i n LYS 100 Ca -0.03 -2.71 0.00 0.00 -2.02 0.00 0.00 58.31 53.55 1j0i n LYS 100 Cb 0.09 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 1j0i n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j0i n GLY 101 N 0.26 -1.71 3.89 0.72 0.00 -0.31 -4.99 105.19 103.04 1j0i n GLY 101 Ca 0.29 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 1j0i n GLY 101 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j0i s PHE 102 N 0.00 3.57 0.27 1.61 0.40 -1.26 -1.26 117.98 121.31 1j0i s PHE 102 Ca 0.00 0.56 0.04 0.00 -0.60 0.00 0.00 56.93 56.93 1j0i s PHE 102 Cb 0.00 -1.99 -0.06 0.00 0.51 0.00 0.00 43.02 41.49 1j0i s PHE 102 CO 0.00 0.59 0.01 0.71 0.70 0.00 0.00 175.22 177.23 1j0i s TYR 103 N -1.35 1.77 -2.02 0.36 1.51 -0.10 -4.95 117.35 112.57 1j0i s TYR 103 Ca 0.29 -0.89 0.16 0.00 -1.01 0.00 0.00 57.07 55.62 1j0i s TYR 103 Cb -0.13 -1.07 0.13 0.00 -0.11 0.00 0.00 41.96 40.78 1j0i s TYR 103 CO 0.18 0.04 1.02 1.19 -1.11 0.00 0.00 175.55 176.86 1j0i n PHE 104 N -0.54 0.01 -3.63 2.71 3.01 -1.26 -0.75 117.46 117.01 1j0i n PHE 104 Ca -0.04 -0.01 -0.12 0.00 1.01 0.00 0.00 57.45 58.29 1j0i n PHE 104 Cb 0.65 -0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 40.05 1j0i n PHE 104 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1j0i s GLU 105 N -1.35 0.69 -0.29 -1.08 2.56 -1.26 -4.77 118.70 113.19 1j0i s GLU 105 Ca 0.19 0.75 -0.35 0.00 0.00 0.00 0.00 54.97 55.56 1j0i s GLU 105 Cb 0.14 0.33 -0.11 0.00 2.00 0.00 0.00 34.13 36.49 1j0i s GLU 105 CO 0.20 -0.09 2.10 0.28 -0.56 0.00 0.00 175.26 177.19 1j0i n VAL 106 N 2.32 0.27 -2.79 3.70 0.31 -1.26 -4.94 118.33 115.94 1j0i n VAL 106 Ca -0.13 -0.23 -0.40 0.00 -0.01 0.00 0.00 64.34 63.57 1j0i n VAL 106 Cb 0.56 -1.70 -0.06 0.00 -0.91 0.00 0.00 33.84 31.73 1j0i n VAL 106 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1j0i s PRO 107 N 5.62 4.79 -0.01 5.55 0.04 -1.26 -4.94 135.00 144.78 1j0i s PRO 107 Ca 1.05 1.42 0.02 0.00 0.04 0.00 0.00 61.00 63.53 1j0i s PRO 107 Cb -0.82 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 30.46 1j0i s PRO 107 CO 0.50 0.50 0.79 0.25 0.04 0.00 0.00 177.00 179.08 1j0i n THR 108 N 1.64 0.47 1.36 1.26 -2.24 -1.26 -4.74 114.28 110.77 1j0i n THR 108 Ca -0.02 -0.50 0.15 0.00 -2.27 0.00 0.00 64.05 61.40 1j0i n THR 108 Cb 0.48 0.66 0.72 0.00 -2.10 0.00 0.00 70.33 70.08 1j0i n THR 108 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1j0i n ASP 109 N -0.28 0.04 -3.55 3.42 5.75 -1.26 -4.08 116.55 116.59 1j0i n ASP 109 Ca 0.02 -0.08 -0.07 0.00 -0.01 0.00 0.00 54.79 54.64 1j0i n ASP 109 Cb 0.48 -0.29 -0.02 0.00 -1.03 0.00 0.00 41.12 40.25 1j0i n ASP 109 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1j0i s ASP 110 N -2.63 -0.27 0.01 -1.12 2.15 -1.26 -5.04 116.67 108.50 1j0i s ASP 110 Ca 0.26 0.06 0.23 0.00 0.43 0.00 0.00 52.55 53.53 1j0i s ASP 110 Cb 0.20 0.27 0.16 0.00 -0.30 0.00 0.00 42.92 43.25 1j0i s ASP 110 CO 0.48 -0.42 1.15 0.35 -0.17 0.00 0.00 175.17 176.55 1j0i n THR 111 N -0.03 0.04 0.26 1.71 -2.24 -1.26 -4.40 114.28 108.35 1j0i n THR 111 Ca -0.05 -0.06 0.18 0.00 -2.27 0.00 0.00 64.05 61.85 1j0i n THR 111 Cb 0.60 0.48 0.89 0.00 -2.10 0.00 0.00 70.33 70.20 1j0i n THR 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j0i h ALA 112 N 2.88 1.54 -0.35 6.98 0.00 -1.99 -2.10 119.26 126.23 1j0i h ALA 112 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1j0i h ALA 112 Cb 0.56 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1j0i h ALA 112 CO 0.00 -0.29 -0.25 1.88 0.00 0.00 0.00 179.25 180.59 1j0i h TYR 113 N 0.00 0.79 -4.02 0.00 -1.99 -1.98 -3.44 116.97 106.33 1j0i h TYR 113 Ca 0.06 -0.18 -0.45 0.00 2.00 0.00 0.00 58.73 60.16 1j0i h TYR 113 Cb 0.51 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.04 1j0i h TYR 113 CO 0.00 0.87 0.34 0.71 -0.00 0.00 0.00 178.16 180.09 1j0i s TYR 114 N -4.54 3.39 1.02 4.88 1.51 -0.79 -0.32 117.35 122.49 1j0i s TYR 114 Ca -0.09 1.65 -0.11 0.00 -1.01 0.00 0.00 57.07 57.51 1j0i s TYR 114 Cb 0.13 -2.88 0.21 0.00 -0.11 0.00 0.00 41.96 39.31 1j0i s TYR 114 CO 0.83 -0.06 1.09 -0.06 -1.11 0.00 0.00 175.55 176.24 1j0i s PHE 115 N -2.04 1.51 -0.04 2.71 0.08 -0.10 -4.68 117.98 115.43 1j0i s PHE 115 Ca 0.59 1.53 -0.02 0.00 0.12 0.00 0.00 56.93 59.15 1j0i s PHE 115 Cb -0.12 -3.23 0.02 0.00 -0.57 0.00 0.00 43.02 39.12 1j0i s PHE 115 CO 0.16 -3.27 0.09 0.00 -0.10 0.00 0.00 175.22 172.10 1j0i s PHE 117 N 0.43 3.05 0.20 0.00 5.36 -0.11 -4.90 117.98 122.01 1j0i s PHE 117 Ca -0.03 -3.09 -0.19 0.00 -0.96 0.00 0.00 56.93 52.66 1j0i s PHE 117 Cb -0.05 -2.51 0.17 0.00 -0.34 0.00 0.00 43.02 40.29 1j0i s PHE 117 CO -0.02 -0.66 1.43 -0.35 -1.46 0.00 0.00 175.22 174.16 1j0i n PRO 118 N 2.63 -0.25 -3.62 10.12 -0.04 -1.26 -1.89 135.00 140.69 1j0i n PRO 118 Ca 0.14 1.42 -0.14 0.00 -0.04 0.00 0.00 63.50 64.88 1j0i n PRO 118 Cb 0.35 -2.10 -0.07 0.00 -0.04 0.00 0.00 33.50 31.64 1j0i n PRO 118 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1j0i s PHE 119 N -5.79 -0.73 -0.40 0.54 5.36 -1.26 -4.33 117.98 111.37 1j0i s PHE 119 Ca -0.12 1.71 -0.23 0.00 -0.96 0.00 0.00 56.93 57.33 1j0i s PHE 119 Cb 0.17 0.30 0.02 0.00 -0.34 0.00 0.00 43.02 43.17 1j0i s PHE 119 CO 0.64 -0.38 0.77 -1.17 -1.46 0.00 0.00 175.22 173.62 1j0i s LEU 120 N 0.16 4.20 -0.11 6.12 0.20 -0.44 -5.02 118.68 123.80 1j0i s LEU 120 Ca -0.01 0.12 0.01 0.00 0.69 0.00 0.00 54.13 54.94 1j0i s LEU 120 Cb -0.04 -2.97 -0.02 0.00 -0.43 0.00 0.00 46.19 42.73 1j0i s LEU 120 CO 0.01 -0.80 -0.13 -1.00 -0.29 0.00 0.00 176.35 174.14 1j0i s HIS 121 N 3.14 2.79 0.37 5.38 3.76 -1.26 -5.00 115.29 124.46 1j0i s HIS 121 Ca 0.30 -0.48 0.05 0.00 -0.15 0.00 0.00 55.06 54.78 1j0i s HIS 121 Cb -0.13 -1.78 0.70 0.00 1.11 0.00 0.00 32.58 32.48 1j0i s HIS 121 CO 0.19 -0.08 1.96 0.00 -0.85 0.00 0.00 174.74 175.96 1j0i h ARG 122 N 6.27 0.55 -0.15 1.40 3.08 -1.95 -2.64 114.38 120.95 1j0i h ARG 122 Ca -0.32 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.59 1j0i h ARG 122 Cb 1.19 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1j0i h ARG 122 CO 0.54 0.48 -0.18 0.28 -1.07 0.00 0.00 179.97 180.02 1j0i h VAL 123 N 0.55 1.21 -0.01 2.04 2.07 -2.02 -2.68 116.25 117.40 1j0i h VAL 123 Ca 0.13 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1j0i h VAL 123 Cb 0.15 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1j0i h VAL 123 CO -0.01 0.29 -0.21 0.47 0.02 0.00 0.00 177.57 178.13 1j0i n ASP 124 N -4.22 1.41 -4.76 0.57 8.00 -1.02 -4.96 116.55 111.58 1j0i n ASP 124 Ca -0.01 -1.21 -0.39 0.00 0.71 0.00 0.00 54.79 53.90 1j0i n ASP 124 Cb 0.31 0.14 0.02 0.00 -0.02 0.00 0.00 41.12 41.57 1j0i n ASP 124 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1j0i s LEU 125 N -2.34 4.02 -0.08 0.64 2.96 -1.01 -4.84 118.68 118.03 1j0i s LEU 125 Ca 0.27 2.67 -0.24 0.00 -0.22 0.00 0.00 54.13 56.61 1j0i s LEU 125 Cb 0.20 -4.12 -0.03 0.00 0.50 0.00 0.00 46.19 42.74 1j0i s LEU 125 CO 0.47 -1.20 0.75 0.12 -1.32 0.00 0.00 176.35 175.17 1j0i s PHE 126 N -1.32 3.56 -0.22 5.38 2.19 -1.26 -4.83 117.98 121.48 1j0i s PHE 126 Ca 0.64 1.29 -0.05 0.00 0.33 0.00 0.00 56.93 59.15 1j0i s PHE 126 Cb -0.38 -2.87 0.11 0.00 -1.31 0.00 0.00 43.02 38.57 1j0i s PHE 126 CO 0.47 0.03 0.39 -2.00 1.83 0.00 0.00 175.22 175.94 1j0i s GLU 127 N 1.04 0.33 0.20 10.12 2.12 -1.26 -4.97 118.70 126.27 1j0i s GLU 127 Ca 0.39 0.79 0.05 0.00 0.36 0.00 0.00 54.97 56.56 1j0i s GLU 127 Cb -0.18 -0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.12 1j0i s GLU 127 CO 0.18 -0.44 0.22 0.00 -0.54 0.00 0.00 175.26 174.69 1j0i s ALA 128 N 2.58 3.72 -0.22 6.30 0.00 -1.26 -5.00 121.76 127.88 1j0i s ALA 128 Ca 0.05 -1.24 -0.33 0.00 0.00 0.00 0.00 51.96 50.45 1j0i s ALA 128 Cb -0.14 -1.49 -0.10 0.00 0.00 0.00 0.00 23.12 21.39 1j0i s ALA 128 CO -0.14 0.40 2.09 -2.30 0.00 0.00 0.00 175.76 175.80 1j0i n PRO 129 N -0.80 1.72 -0.33 0.00 -0.02 -1.26 -4.83 135.00 129.49 1j0i n PRO 129 Ca -0.08 0.54 0.24 0.00 -2.02 0.00 0.00 63.50 62.18 1j0i n PRO 129 Cb 0.56 -2.75 0.53 0.00 -0.02 0.00 0.00 33.50 31.82 1j0i n PRO 129 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1j0i h ASP 130 N 12.00 0.42 0.29 2.55 1.82 -1.95 -2.21 116.42 129.34 1j0i h ASP 130 Ca -0.39 0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 56.33 1j0i h ASP 130 Cb 1.28 0.02 -0.00 0.00 0.68 0.00 0.00 39.33 41.31 1j0i h ASP 130 CO 0.98 0.06 -0.02 4.11 -1.61 0.00 0.00 179.24 182.76 1j0i h TRP 131 N 0.36 0.00 0.00 0.28 5.08 -1.96 -2.38 115.95 117.33 1j0i h TRP 131 Ca 0.61 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.58 1j0i h TRP 131 Cb 1.60 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.76 1j0i h TRP 131 CO -0.00 0.02 0.00 -0.39 -1.28 0.00 0.00 178.44 176.78 1j0i h VAL 132 N 0.00 0.00 -0.27 0.12 -1.51 -1.78 -2.95 116.25 109.86 1j0i h VAL 132 Ca -0.00 -0.46 -0.06 0.00 -1.23 0.00 0.00 66.70 64.95 1j0i h VAL 132 Cb 0.17 1.36 -0.02 0.00 -2.13 0.00 0.00 31.29 30.68 1j0i h VAL 132 CO 0.00 0.00 -0.09 0.11 -1.23 0.00 0.00 177.57 176.36 1j0i h LYS 133 N 0.00 0.43 -0.38 5.19 1.57 -1.62 -2.76 116.57 119.01 1j0i h LYS 133 Ca 0.00 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1j0i h LYS 133 Cb 0.54 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1j0i h LYS 133 CO 0.00 0.53 0.00 -0.25 -0.57 0.00 0.00 179.45 179.16 1j0i n ASP 134 N -4.24 3.34 -4.85 0.86 8.00 -1.12 -4.66 116.55 113.88 1j0i n ASP 134 Ca 0.01 -1.95 -0.33 0.00 0.71 0.00 0.00 54.79 53.22 1j0i n ASP 134 Cb 0.28 -0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 1j0i n ASP 134 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1j0i s THR 135 N -1.37 4.73 -0.24 -3.53 2.01 -1.04 -5.00 115.64 111.20 1j0i s THR 135 Ca 0.36 0.90 0.00 0.00 0.31 0.00 0.00 61.69 63.26 1j0i s THR 135 Cb 0.21 -3.67 0.06 0.00 0.01 0.00 0.00 72.50 69.12 1j0i s THR 135 CO 0.29 -0.05 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.45 1j0i s VAL 136 N -1.82 1.43 0.64 3.82 1.01 -1.26 -4.00 120.40 120.22 1j0i s VAL 136 Ca 0.49 -1.23 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 1j0i s VAL 136 Cb -0.12 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1j0i s VAL 136 CO 0.19 -0.17 1.03 0.26 0.00 0.00 0.00 175.10 176.40 1j0i s TRP 137 N 1.43 3.46 -0.05 5.22 0.52 0.52 -2.20 118.94 127.85 1j0i s TRP 137 Ca -0.04 1.09 -0.01 0.00 0.02 0.00 0.00 56.10 57.16 1j0i s TRP 137 Cb -0.19 -2.84 0.03 0.00 -1.15 0.00 0.00 33.47 29.33 1j0i s TRP 137 CO -0.08 -0.88 0.04 -0.47 0.02 0.00 0.00 176.95 175.58 1j0i s TYR 138 N -3.20 0.27 -0.12 -1.98 6.14 0.10 -0.29 117.35 118.27 1j0i s TYR 138 Ca 0.56 0.10 -0.17 0.00 0.64 0.00 0.00 57.07 58.20 1j0i s TYR 138 Cb -0.11 -0.56 -0.04 0.00 0.42 0.00 0.00 41.96 41.67 1j0i s TYR 138 CO 0.51 -0.22 0.43 -1.14 0.64 0.00 0.00 175.55 175.78 1j0i s GLN 139 N 1.95 4.29 -0.08 4.97 0.74 0.18 -1.23 119.66 130.49 1j0i s GLN 139 Ca 0.03 0.37 0.04 0.00 0.05 0.00 0.00 55.36 55.85 1j0i s GLN 139 Cb -0.12 -3.42 -0.00 0.00 1.10 0.00 0.00 33.01 30.57 1j0i s GLN 139 CO -0.04 0.21 -0.22 0.42 -0.55 0.00 0.00 175.29 175.12 1j0i s ILE 140 N 0.47 1.89 -0.74 -2.34 1.01 0.23 -1.36 121.20 120.35 1j0i s ILE 140 Ca 0.24 -0.93 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 1j0i s ILE 140 Cb -0.15 -1.63 0.20 0.00 0.01 0.00 0.00 42.46 40.89 1j0i s ILE 140 CO 0.09 0.52 0.64 0.12 0.00 0.00 0.00 174.94 176.32 1j0i s PHE 141 N 0.25 3.62 0.23 3.97 5.36 -1.26 -2.17 117.98 127.98 1j0i s PHE 141 Ca -0.14 -2.20 -0.02 0.00 -0.96 0.00 0.00 56.93 53.60 1j0i s PHE 141 Cb -0.16 -3.61 0.47 0.00 -0.34 0.00 0.00 43.02 39.38 1j0i s PHE 141 CO 0.07 -0.94 1.20 -2.30 -1.46 0.00 0.00 175.22 171.78 1j0i n PRO 142 N 3.87 -0.07 0.27 10.12 -0.02 -1.26 -0.16 135.00 147.75 1j0i n PRO 142 Ca 0.10 1.18 0.16 0.00 -2.02 0.00 0.00 63.50 62.92 1j0i n PRO 142 Cb 0.44 -1.81 0.86 0.00 -0.02 0.00 0.00 33.50 32.97 1j0i n PRO 142 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1j0i h GLU 143 N 0.00 0.00 0.00 -0.52 4.22 -1.81 -2.87 114.58 113.60 1j0i h GLU 143 Ca 0.42 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.86 1j0i h GLU 143 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1j0i h GLU 143 CO -0.76 0.00 0.00 0.54 -2.18 0.00 0.00 179.01 176.61 1j0i n ARG 144 N -2.69 1.68 -0.08 1.92 5.12 0.77 -1.46 116.66 121.92 1j0i n ARG 144 Ca -0.02 -1.11 -0.12 0.00 -1.93 0.00 0.00 57.85 54.67 1j0i n ARG 144 Cb 0.15 -0.92 -0.07 0.00 -1.16 0.00 0.00 32.46 30.46 1j0i n ARG 144 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1j0i h PHE 145 N 0.00 0.00 -1.59 -1.55 3.57 -1.35 0.29 116.94 116.32 1j0i h PHE 145 Ca 0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1j0i h PHE 145 Cb 0.45 0.00 -0.26 0.00 2.79 0.00 0.00 35.95 38.93 1j0i h PHE 145 CO 0.00 0.74 0.34 0.00 -2.23 0.00 0.00 178.31 177.16 1j0i s ALA 146 N -2.46 -2.23 -1.08 2.41 0.00 -1.26 -4.26 121.76 112.88 1j0i s ALA 146 Ca -0.18 2.23 -0.18 0.00 0.00 0.00 0.00 51.96 53.82 1j0i s ALA 146 Cb 0.02 -1.68 0.11 0.00 0.00 0.00 0.00 23.12 21.57 1j0i s ALA 146 CO 0.41 -0.35 1.38 1.21 0.00 0.00 0.00 175.76 178.41 1j0i s ASN 147 N 1.36 6.74 0.00 0.00 2.47 -1.26 -1.85 114.94 122.40 1j0i s ASN 147 Ca -0.09 -2.20 0.20 0.00 0.42 0.00 0.00 52.86 51.19 1j0i s ASN 147 Cb -0.04 -2.47 0.70 0.00 -1.45 0.00 0.00 41.25 37.99 1j0i s ASN 147 CO -0.15 -1.11 1.52 0.61 -3.72 0.00 0.00 177.10 174.24 1j0i n GLY 148 N 5.48 0.40 2.90 1.21 0.00 -1.26 -4.56 105.19 109.35 1j0i n GLY 148 Ca 0.33 -0.43 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 1j0i n GLY 148 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j0i s ASN 149 N -1.52 -0.93 0.56 1.61 3.84 -1.26 -4.68 114.94 112.57 1j0i s ASN 149 Ca 0.32 -1.48 0.26 0.00 0.21 0.00 0.00 52.86 52.17 1j0i s ASN 149 Cb 0.17 1.57 1.52 0.00 -0.55 0.00 0.00 41.25 43.96 1j0i s ASN 149 CO 0.26 -0.13 2.05 -0.65 -2.79 0.00 0.00 177.10 175.84 1j0i h PRO 150 N 6.03 0.00 0.00 0.43 0.11 -1.91 -2.95 132.00 133.71 1j0i h PRO 150 Ca 0.07 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.08 1j0i h PRO 150 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1j0i h PRO 150 CO 0.09 0.00 -0.47 0.66 -0.21 0.00 0.00 178.00 178.08 1j0i h SER 151 N 0.00 0.00 0.29 -2.05 4.64 -1.99 -2.97 113.55 111.48 1j0i h SER 151 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1j0i h SER 151 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1j0i h SER 151 CO -0.00 0.47 -0.27 2.30 -0.87 0.00 0.00 176.83 178.46 1j0i n ILE 152 N -3.97 0.00 -1.84 0.95 -5.35 -1.11 -4.91 119.36 103.12 1j0i n ILE 152 Ca -0.02 -0.10 -0.40 0.00 -0.27 0.00 0.00 62.75 61.96 1j0i n ILE 152 Cb 0.49 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.70 1j0i n ILE 152 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1j0i s SER 153 N -2.57 6.17 0.16 7.28 0.01 -1.12 -4.39 113.70 119.23 1j0i s SER 153 Ca 0.23 2.94 -0.31 0.00 1.31 0.00 0.00 55.95 60.12 1j0i s SER 153 Cb 0.19 -2.66 -0.08 0.00 0.21 0.00 0.00 66.02 63.68 1j0i s SER 153 CO 0.54 -0.98 1.37 -2.16 0.41 0.00 0.00 173.24 172.42 1j0i s PRO 154 N -2.24 4.34 0.55 12.44 0.04 -1.26 -4.94 135.00 143.93 1j0i s PRO 154 Ca 0.56 2.09 -0.19 0.00 0.04 0.00 0.00 61.00 63.50 1j0i s PRO 154 Cb -0.44 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 30.81 1j0i s PRO 154 CO 0.58 -0.37 0.82 0.39 0.04 0.00 0.00 177.00 178.46 1j0i n GLU 155 N 3.36 0.84 -0.22 4.56 4.71 -1.26 -2.02 120.64 130.61 1j0i n GLU 155 Ca 0.09 0.32 0.00 0.00 -0.01 0.00 0.00 57.16 57.56 1j0i n GLU 155 Cb 0.42 -1.98 0.00 0.00 -1.01 0.00 0.00 31.44 28.88 1j0i n GLU 155 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1j0i n GLY 156 N 1.44 0.61 3.74 0.62 0.00 -1.26 -5.04 105.19 105.30 1j0i n GLY 156 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1j0i n GLY 156 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j0i s SER 157 N -2.99 6.68 0.53 1.61 0.01 -0.86 -4.62 113.70 114.06 1j0i s SER 157 Ca 0.00 2.61 -0.16 0.00 1.31 0.00 0.00 55.95 59.71 1j0i s SER 157 Cb 0.00 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.55 1j0i s SER 157 CO 0.00 -0.70 1.00 -0.13 0.41 0.00 0.00 173.24 173.81 1j0i s ARG 158 N 0.04 3.84 0.29 12.44 1.81 0.17 -4.92 118.95 132.62 1j0i s ARG 158 Ca 0.61 0.97 -0.30 0.00 -1.72 0.00 0.00 55.73 55.29 1j0i s ARG 158 Cb -0.41 -2.12 -0.11 0.00 -0.45 0.00 0.00 34.95 31.86 1j0i s ARG 158 CO 0.40 -0.36 1.52 -2.14 -0.68 0.00 0.00 175.30 174.03 1j0i s PRO 159 N -4.17 4.18 -0.45 3.54 0.02 -1.26 -4.60 135.00 132.26 1j0i s PRO 159 Ca 0.59 2.47 -0.45 0.00 0.02 0.00 0.00 61.00 63.63 1j0i s PRO 159 Cb -0.11 -3.05 -0.19 0.00 0.02 0.00 0.00 34.50 31.18 1j0i s PRO 159 CO 0.34 -0.53 1.69 1.87 -0.33 0.00 0.00 177.00 180.04 1j0i n TRP 160 N 1.99 1.78 -1.74 6.54 -0.00 -1.26 -0.13 117.44 124.62 1j0i n TRP 160 Ca 0.07 0.96 -0.20 0.00 -0.00 0.00 0.00 57.50 58.33 1j0i n TRP 160 Cb 0.39 -2.29 -0.07 0.00 -0.00 0.00 0.00 31.31 29.33 1j0i n TRP 160 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1j0i n GLY 161 N 4.36 1.44 0.22 5.87 0.00 -1.26 -4.84 105.19 110.97 1j0i n GLY 161 Ca 0.32 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.44 1j0i n GLY 161 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j0i h SER 162 N 0.00 0.00 -5.14 1.61 4.64 -0.87 -3.47 113.55 110.31 1j0i h SER 162 Ca -0.42 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.83 1j0i h SER 162 Cb 1.32 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.38 1j0i h SER 162 CO 0.59 0.20 0.13 -1.83 -0.87 0.00 0.00 176.83 175.05 1j0i s GLU 163 N -3.50 2.04 0.25 4.77 -1.05 -1.26 -5.04 118.70 114.91 1j0i s GLU 163 Ca 0.02 -1.43 -0.28 0.00 -0.15 0.00 0.00 54.97 53.13 1j0i s GLU 163 Cb 0.09 0.57 -0.09 0.00 -0.44 0.00 0.00 34.13 34.26 1j0i s GLU 163 CO 0.64 -0.92 0.91 -0.51 0.95 0.00 0.00 175.26 176.33 1j0i s ASP 164 N -3.08 7.50 0.79 0.83 1.11 -1.26 -4.85 116.67 117.71 1j0i s ASP 164 Ca 0.19 1.86 -0.11 0.00 0.18 0.00 0.00 52.55 54.67 1j0i s ASP 164 Cb -0.04 -2.58 0.07 0.00 1.07 0.00 0.00 42.92 41.44 1j0i s ASP 164 CO 0.13 0.09 1.11 -2.16 1.18 0.00 0.00 175.17 175.52 1j0i s PRO 165 N -1.46 2.08 0.42 8.23 0.04 -1.26 -5.05 135.00 137.99 1j0i s PRO 165 Ca 0.43 1.27 0.03 0.00 0.04 0.00 0.00 61.00 62.77 1j0i s PRO 165 Cb -0.23 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1j0i s PRO 165 CO 0.28 -1.79 0.08 0.95 0.04 0.00 0.00 177.00 176.56 1j0i s THR 166 N -2.79 0.92 0.59 1.26 -4.23 -1.26 -4.61 115.64 105.51 1j0i s THR 166 Ca 0.63 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 59.48 1j0i s THR 166 Cb -0.19 -2.41 0.38 0.00 1.34 0.00 0.00 72.50 71.62 1j0i s THR 166 CO 0.55 0.00 2.27 -0.65 -0.54 0.00 0.00 174.62 176.25 1j0i h PRO 167 N 1.73 0.00 0.00 3.99 0.11 -1.97 -3.19 132.00 132.67 1j0i h PRO 167 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1j0i h PRO 167 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1j0i h PRO 167 CO 0.65 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.70 1j0i n THR 168 N -3.57 0.04 -1.24 -1.15 -2.24 -1.26 -4.68 114.28 100.18 1j0i n THR 168 Ca -0.03 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 60.94 1j0i n THR 168 Cb 0.10 1.02 0.10 0.00 -2.10 0.00 0.00 70.33 69.45 1j0i n THR 168 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1j0i s SER 169 N -0.04 4.28 0.02 3.42 1.04 -1.21 -4.90 113.70 116.31 1j0i s SER 169 Ca 0.00 1.95 0.03 0.00 0.48 0.00 0.00 55.95 58.41 1j0i s SER 169 Cb 0.00 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 1j0i s SER 169 CO 0.00 -2.19 -0.09 -0.36 0.98 0.00 0.00 173.24 171.57 1j0i s PHE 170 N -2.72 0.82 0.00 5.02 0.08 -1.26 -4.80 117.98 115.12 1j0i s PHE 170 Ca 0.64 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.40 1j0i s PHE 170 Cb -0.19 -0.50 0.00 0.00 -0.57 0.00 0.00 43.02 41.75 1j0i s PHE 170 CO 0.54 -0.02 0.24 1.19 -0.10 0.00 0.00 175.22 177.06 1j0i n PHE 171 N 2.21 0.00 -0.53 0.36 3.01 -1.26 0.46 117.46 121.71 1j0i n PHE 171 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 1j0i n PHE 171 Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 1j0i n PHE 171 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j0i n GLY 172 N 0.16 0.73 3.68 1.37 0.00 -1.26 -4.68 105.19 105.20 1j0i n GLY 172 Ca 0.00 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1j0i n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0i n GLY 173 N -2.53 0.28 3.57 -0.02 0.00 -0.53 -4.28 105.19 101.69 1j0i n GLY 173 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1j0i n GLY 173 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j0i s ASP 174 N -1.00 0.08 0.39 1.61 1.47 -0.77 -4.33 116.67 114.11 1j0i s ASP 174 Ca 0.72 -1.04 0.09 0.00 1.18 0.00 0.00 52.55 53.50 1j0i s ASP 174 Cb -0.44 0.61 0.78 0.00 -0.34 0.00 0.00 42.92 43.53 1j0i s ASP 174 CO 0.49 -1.19 1.92 -0.07 0.68 0.00 0.00 175.17 177.00 1j0i h LEU 175 N 2.23 0.24 -0.68 2.11 4.07 -1.36 -2.56 115.31 119.35 1j0i h LEU 175 Ca -0.27 -0.05 -0.05 0.00 0.08 0.00 0.00 57.88 57.59 1j0i h LEU 175 Cb 1.25 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.90 1j0i h LEU 175 CO 0.37 0.38 0.23 -0.61 -1.08 0.00 0.00 178.44 177.73 1j0i h GLN 176 N 0.24 1.05 0.00 1.13 5.75 -1.87 -2.22 115.11 119.18 1j0i h GLN 176 Ca 0.05 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.33 1j0i h GLN 176 Cb 0.36 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.76 1j0i h GLN 176 CO 0.02 0.90 -0.02 0.78 -2.65 0.00 0.00 178.83 177.86 1j0i h GLY 177 N 0.98 0.00 0.31 2.39 0.00 -1.47 -0.99 103.07 104.30 1j0i h GLY 177 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 1j0i h GLY 177 CO -0.01 0.00 -0.12 -2.22 0.00 0.00 0.00 176.54 174.19 1j0i h ILE 178 N 0.00 1.60 -0.52 2.60 2.04 -1.38 -3.16 117.51 118.70 1j0i h ILE 178 Ca -0.00 -1.94 0.07 0.00 1.00 0.00 0.00 64.86 63.99 1j0i h ILE 178 Cb 0.10 2.88 -0.06 0.00 -0.74 0.00 0.00 36.82 39.00 1j0i h ILE 178 CO 0.00 0.52 0.18 0.40 0.00 0.00 0.00 178.15 179.25 1j0i h ILE 179 N -0.67 0.81 0.00 -0.67 2.04 -1.10 -1.07 117.51 116.84 1j0i h ILE 179 Ca -0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1j0i h ILE 179 Cb 0.92 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1j0i h ILE 179 CO 0.02 0.06 0.00 0.44 0.00 0.00 0.00 178.15 178.68 1j0i h ASP 180 N 0.35 0.00 -0.20 1.72 3.32 -1.27 -2.64 116.42 117.70 1j0i h ASP 180 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1j0i h ASP 180 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1j0i h ASP 180 CO -0.26 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.67 1j0i n HIS 181 N -3.03 0.35 0.05 4.55 8.25 -0.45 -4.68 115.22 120.27 1j0i n HIS 181 Ca -0.03 -0.59 0.07 0.00 -0.26 0.00 0.00 57.72 56.91 1j0i n HIS 181 Cb 0.08 -0.08 0.51 0.00 1.12 0.00 0.00 29.99 31.62 1j0i n HIS 181 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1j0i h LEU 182 N 1.21 0.31 -1.59 2.41 3.38 -1.05 -1.01 115.31 118.96 1j0i h LEU 182 Ca 0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1j0i h LEU 182 Cb 0.78 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1j0i h LEU 182 CO 0.03 0.21 -0.02 0.44 0.09 0.00 0.00 178.44 179.20 1j0i h ASP 183 N 0.36 0.22 -0.45 -0.43 3.32 -1.83 0.57 116.42 118.17 1j0i h ASP 183 Ca 0.14 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 1j0i h ASP 183 Cb 0.11 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1j0i h ASP 183 CO -0.03 0.28 -0.04 0.22 -1.72 0.00 0.00 179.24 177.95 1j0i h TYR 184 N 0.24 0.97 -0.10 4.55 3.20 -1.53 -1.78 116.97 122.51 1j0i h TYR 184 Ca 0.06 -0.16 -0.15 0.00 3.14 0.00 0.00 58.73 61.61 1j0i h TYR 184 Cb 0.19 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 38.22 1j0i h TYR 184 CO 0.00 0.90 -0.54 -0.07 -1.64 0.00 0.00 178.16 176.81 1j0i h LEU 185 N 0.82 0.66 -0.29 2.82 3.38 -1.13 -2.46 115.31 119.11 1j0i h LEU 185 Ca 0.15 -0.64 0.03 0.00 0.09 0.00 0.00 57.88 57.50 1j0i h LEU 185 Cb 0.54 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1j0i h LEU 185 CO 0.03 1.19 0.11 0.58 0.09 0.00 0.00 178.44 180.45 1j0i h VAL 186 N 0.16 0.94 -0.91 1.22 2.07 -0.86 -1.48 116.25 117.38 1j0i h VAL 186 Ca -0.04 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.44 1j0i h VAL 186 Cb 1.18 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 1j0i h VAL 186 CO 0.11 0.04 0.59 -0.78 0.02 0.00 0.00 177.57 177.55 1j0i h ASP 187 N 0.25 0.96 0.20 0.57 3.58 -1.35 -1.25 116.42 119.37 1j0i h ASP 187 Ca 0.13 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 1j0i h ASP 187 Cb 0.08 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 1j0i h ASP 187 CO -0.12 0.64 -0.14 0.25 -2.88 0.00 0.00 179.24 176.99 1j0i h LEU 188 N 1.11 0.00 0.00 2.28 5.85 -0.84 -3.46 115.31 120.25 1j0i h LEU 188 Ca 0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1j0i h LEU 188 Cb 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1j0i h LEU 188 CO -0.14 0.14 0.00 0.61 -0.34 0.00 0.00 178.44 178.71 1j0i n GLY 189 N -0.99 0.89 3.75 3.75 0.00 -0.47 -4.41 105.19 107.71 1j0i n GLY 189 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1j0i n GLY 189 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1j0i n ILE 190 N -0.66 1.03 -0.54 -0.61 2.08 -0.96 -4.86 119.36 114.84 1j0i n ILE 190 Ca 0.00 -0.26 0.01 0.00 0.56 0.00 0.00 62.75 63.07 1j0i n ILE 190 Cb 0.00 -1.99 0.02 0.00 -0.75 0.00 0.00 39.64 36.92 1j0i n ILE 190 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1j0i n THR 191 N 2.15 0.80 -3.70 1.39 -2.24 -0.93 -4.60 114.28 107.15 1j0i n THR 191 Ca 0.08 -0.85 -0.11 0.00 -2.27 0.00 0.00 64.05 60.90 1j0i n THR 191 Cb 0.37 0.53 -0.10 0.00 -2.10 0.00 0.00 70.33 69.02 1j0i n THR 191 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1j0i s GLY 192 N -1.00 -0.34 -0.15 3.38 0.00 -1.12 -1.58 107.32 106.51 1j0i s GLY 192 Ca 0.04 1.47 0.02 0.00 0.00 0.00 0.00 44.72 46.26 1j0i s GLY 192 CO 0.00 1.52 -0.21 -0.42 0.00 0.00 0.00 173.10 173.99 1j0i s ILE 193 N 1.04 2.07 -0.27 0.90 1.01 0.57 0.02 121.20 126.54 1j0i s ILE 193 Ca -0.07 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.56 1j0i s ILE 193 Cb -0.07 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.58 1j0i s ILE 193 CO -0.09 0.55 0.03 -0.47 0.00 0.00 0.00 174.94 174.96 1j0i s TYR 194 N 0.93 3.11 -0.11 3.97 5.04 -0.36 -0.46 117.35 129.47 1j0i s TYR 194 Ca -0.04 -1.11 -0.07 0.00 -2.44 0.00 0.00 57.07 53.41 1j0i s TYR 194 Cb -0.15 -2.19 -0.04 0.00 0.35 0.00 0.00 41.96 39.93 1j0i s TYR 194 CO -0.05 -0.61 0.14 -0.51 -1.34 0.00 0.00 175.55 173.19 1j0i s LEU 195 N 1.45 4.39 0.90 6.97 1.43 -0.39 -0.60 118.68 132.84 1j0i s LEU 195 Ca 0.02 0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 53.45 1j0i s LEU 195 Cb -0.17 -2.11 0.14 0.00 0.03 0.00 0.00 46.19 44.08 1j0i s LEU 195 CO 0.00 0.40 1.19 0.42 0.23 0.00 0.00 176.35 178.59 1j0i s THR 196 N -1.05 1.97 0.06 5.49 -4.23 -0.92 -2.74 115.64 114.23 1j0i s THR 196 Ca 0.16 0.00 -0.34 0.00 -1.18 0.00 0.00 61.69 60.33 1j0i s THR 196 Cb -0.12 -2.88 -0.18 0.00 1.34 0.00 0.00 72.50 70.66 1j0i s THR 196 CO 0.05 0.00 0.84 -2.65 -0.54 0.00 0.00 174.62 172.32 1j0i n PRO 197 N -3.66 0.00 0.00 3.99 -0.02 -1.26 -4.60 135.00 129.44 1j0i n PRO 197 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1j0i n PRO 197 Cb 0.60 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 1j0i n PRO 197 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1j0i n ILE 198 N 0.95 0.49 -2.86 4.25 -5.35 -1.26 -4.79 119.36 110.79 1j0i n ILE 198 Ca 0.18 -0.51 -0.27 0.00 -0.27 0.00 0.00 62.75 61.88 1j0i n ILE 198 Cb 0.13 0.79 -0.01 0.00 -1.74 0.00 0.00 39.64 38.81 1j0i n ILE 198 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1j0i s PHE 199 N -0.49 3.53 -0.01 4.28 0.08 -1.26 -1.06 117.98 123.05 1j0i s PHE 199 Ca 0.00 0.76 -0.37 0.00 0.12 0.00 0.00 56.93 57.44 1j0i s PHE 199 Cb 0.00 -2.24 -0.16 0.00 -0.57 0.00 0.00 43.02 40.05 1j0i s PHE 199 CO 0.00 -0.14 1.50 -2.13 -0.10 0.00 0.00 175.22 174.35 1j0i n ARG 200 N -1.89 1.33 -3.55 0.44 0.63 0.17 -4.18 116.66 109.61 1j0i n ARG 200 Ca -0.00 0.48 -0.13 0.00 -0.92 0.00 0.00 57.85 57.28 1j0i n ARG 200 Cb 0.55 -2.16 -0.05 0.00 0.45 0.00 0.00 32.46 31.24 1j0i n ARG 200 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1j0i s SER 201 N 1.51 -0.48 0.11 6.15 0.15 -1.26 0.08 113.70 119.96 1j0i s SER 201 Ca 0.88 0.50 0.27 0.00 0.70 0.00 0.00 55.95 58.31 1j0i s SER 201 Cb -0.93 0.40 1.01 0.00 -1.71 0.00 0.00 66.02 64.78 1j0i s SER 201 CO 0.51 -0.46 1.85 -0.81 1.20 0.00 0.00 173.24 175.53 1j0i n PRO 202 N 0.75 0.14 -2.50 5.44 -0.04 -1.26 -4.92 135.00 132.62 1j0i n PRO 202 Ca -0.14 0.12 -0.23 0.00 -0.04 0.00 0.00 63.50 63.21 1j0i n PRO 202 Cb 0.58 -1.67 0.08 0.00 -0.04 0.00 0.00 33.50 32.45 1j0i n PRO 202 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1j0i s SER 203 N -3.83 4.74 0.15 3.54 1.04 -1.26 -5.01 113.70 113.07 1j0i s SER 203 Ca 0.12 -0.04 0.25 0.00 0.48 0.00 0.00 55.95 56.76 1j0i s SER 203 Cb 0.15 -0.57 0.44 0.00 0.10 0.00 0.00 66.02 66.14 1j0i s SER 203 CO 0.57 -1.57 1.42 -0.55 0.98 0.00 0.00 173.24 174.09 1j0i h ASN 204 N -0.36 0.00 0.00 7.02 7.08 -1.87 -3.31 115.58 124.14 1j0i h ASN 204 Ca -0.40 -0.16 -0.32 0.00 -3.08 0.00 0.00 56.30 52.34 1j0i h ASN 204 Cb 1.29 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 37.47 1j0i h ASN 204 CO 0.49 0.08 -2.25 0.00 -2.08 0.00 0.00 177.43 173.67 1j0i n HIS 205 N -2.18 0.00 -2.41 4.14 1.44 -1.26 -4.61 115.22 110.35 1j0i n HIS 205 Ca 0.04 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.57 1j0i n HIS 205 Cb 0.44 -0.89 -0.00 0.00 0.12 0.00 0.00 29.99 29.66 1j0i n HIS 205 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1j0i n LYS 206 N -2.66 -1.75 0.00 -1.40 5.02 -1.25 -4.35 118.16 111.77 1j0i n LYS 206 Ca -0.29 0.86 0.14 0.00 -2.02 0.00 0.00 58.31 57.00 1j0i n LYS 206 Cb 1.08 -5.37 0.57 0.00 -0.02 0.00 0.00 35.03 31.29 1j0i n LYS 206 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1j0i n TYR 207 N -4.05 0.00 -3.63 2.13 4.01 -1.26 -4.20 117.16 110.16 1j0i n TYR 207 Ca -0.20 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.18 1j0i n TYR 207 Cb 0.66 -0.22 -0.06 0.00 -0.31 0.00 0.00 39.34 39.40 1j0i n TYR 207 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1j0i s ASP 208 N -2.58 6.06 0.37 7.72 -4.77 -1.26 -4.79 116.67 117.42 1j0i s ASP 208 Ca 0.25 -3.73 -0.28 0.00 -3.30 0.00 0.00 52.55 45.49 1j0i s ASP 208 Cb 0.20 -1.92 -0.11 0.00 -1.09 0.00 0.00 42.92 40.00 1j0i s ASP 208 CO 0.50 -0.18 1.45 -0.89 0.70 0.00 0.00 175.17 176.76 1j0i s THR 209 N -1.37 2.16 -0.16 2.11 2.01 -1.26 -4.19 115.64 114.94 1j0i s THR 209 Ca 0.28 0.16 0.08 0.00 0.31 0.00 0.00 61.69 62.52 1j0i s THR 209 Cb -0.07 -3.10 -0.16 0.00 0.01 0.00 0.00 72.50 69.18 1j0i s THR 209 CO -0.12 0.04 -0.04 0.00 -0.69 0.00 0.00 174.62 173.81 1j0i n ALA 210 N 0.49 1.62 -3.24 7.40 0.00 0.11 0.89 120.51 127.78 1j0i n ALA 210 Ca 0.01 -0.89 -0.02 0.00 0.00 0.00 0.00 53.44 52.54 1j0i n ALA 210 Cb 0.40 -0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.80 1j0i n ALA 210 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1j0i s ASP 211 N -5.20 -0.65 0.26 0.00 3.68 -1.09 -4.06 116.67 109.62 1j0i s ASP 211 Ca -0.14 0.58 0.24 0.00 2.13 0.00 0.00 52.55 55.36 1j0i s ASP 211 Cb 0.05 1.69 0.98 0.00 -1.45 0.00 0.00 42.92 44.19 1j0i s ASP 211 CO 0.53 -0.28 1.71 -1.22 0.13 0.00 0.00 175.17 176.04 1j0i n TYR 212 N 5.40 0.81 0.10 -5.34 4.02 -1.26 -2.51 117.16 118.38 1j0i n TYR 212 Ca -0.02 0.32 0.12 0.00 -0.01 0.00 0.00 57.90 58.30 1j0i n TYR 212 Cb 0.51 -1.01 0.26 0.00 -0.02 0.00 0.00 39.34 39.07 1j0i n TYR 212 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1j0i n PHE 213 N -2.24 0.67 -4.76 -0.72 3.01 -1.26 -4.92 117.46 107.25 1j0i n PHE 213 Ca 0.02 -0.34 -0.26 0.00 1.01 0.00 0.00 57.45 57.88 1j0i n PHE 213 Cb 0.23 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.54 1j0i n PHE 213 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1j0i s GLU 214 N -1.33 1.93 0.21 -1.08 0.41 -1.04 -5.07 118.70 112.73 1j0i s GLU 214 Ca 0.42 -0.55 -0.30 0.00 -0.41 0.00 0.00 54.97 54.14 1j0i s GLU 214 Cb 0.24 -1.58 -0.08 0.00 -1.78 0.00 0.00 34.13 30.92 1j0i s GLU 214 CO 0.32 0.12 1.11 0.08 -0.49 0.00 0.00 175.26 176.40 1j0i s VAL 215 N 0.41 3.74 0.18 2.63 1.01 -1.26 0.43 120.40 127.54 1j0i s VAL 215 Ca -0.12 1.56 -0.32 0.00 0.00 0.00 0.00 61.98 63.10 1j0i s VAL 215 Cb -0.15 -3.99 -0.12 0.00 0.00 0.00 0.00 36.38 32.12 1j0i s VAL 215 CO 0.04 0.30 1.71 -0.67 0.00 0.00 0.00 175.10 176.48 1j0i n ASP 216 N 2.06 3.81 0.24 3.32 2.03 -0.23 -4.37 116.55 123.41 1j0i n ASP 216 Ca 0.02 1.05 0.17 0.00 0.52 0.00 0.00 54.79 56.55 1j0i n ASP 216 Cb 0.46 -1.54 0.87 0.00 -0.72 0.00 0.00 41.12 40.19 1j0i n ASP 216 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1j0i h PRO 217 N 6.89 0.00 0.00 -0.67 0.11 -1.92 -0.80 132.00 135.61 1j0i h PRO 217 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1j0i h PRO 217 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1j0i h PRO 217 CO 0.94 0.00 -0.05 0.45 -0.21 0.00 0.00 178.00 179.13 1j0i h HIS 218 N 0.00 0.00 0.00 0.65 3.86 -1.88 -3.15 115.15 114.62 1j0i h HIS 218 Ca 0.06 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.03 1j0i h HIS 218 Cb 0.37 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.80 1j0i h HIS 218 CO 0.00 0.05 -1.88 1.19 0.86 0.00 0.00 177.93 178.15 1j0i n PHE 219 N -3.13 0.53 -1.17 2.45 3.72 -0.36 -4.55 117.46 114.95 1j0i n PHE 219 Ca 0.02 0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1j0i n PHE 219 Cb 0.46 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 37.99 1j0i n PHE 219 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j0i n GLY 220 N 1.53 0.31 3.66 1.37 0.00 -0.87 -1.00 105.19 110.19 1j0i n GLY 220 Ca -0.18 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 1j0i n GLY 220 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j0i s ASP 221 N -4.00 3.59 0.24 1.61 1.47 -1.26 -3.99 116.67 114.33 1j0i s ASP 221 Ca 0.00 -1.67 -0.06 0.00 1.18 0.00 0.00 52.55 52.00 1j0i s ASP 221 Cb 0.00 0.52 0.25 0.00 -0.34 0.00 0.00 42.92 43.35 1j0i s ASP 221 CO 0.00 -0.89 1.85 0.11 0.68 0.00 0.00 175.17 176.92 1j0i h LYS 222 N 1.53 1.19 -0.51 2.11 1.57 -1.97 -1.90 116.57 118.58 1j0i h LYS 222 Ca -0.40 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.20 1j0i h LYS 222 Cb 1.30 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1j0i h LYS 222 CO 0.67 0.89 0.24 0.93 -0.57 0.00 0.00 179.45 181.61 1j0i h GLU 223 N 1.18 0.71 -0.43 3.15 3.07 -1.99 0.11 114.58 120.38 1j0i h GLU 223 Ca 0.29 -0.08 -0.15 0.00 -0.50 0.00 0.00 59.36 58.92 1j0i h GLU 223 Cb 0.08 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1j0i h GLU 223 CO -0.04 0.55 -0.31 1.15 -1.40 0.00 0.00 179.01 178.96 1j0i h THR 224 N 0.71 1.27 -0.31 1.13 2.02 -1.79 -1.79 112.91 114.15 1j0i h THR 224 Ca 0.18 -1.48 -0.07 0.00 0.77 0.00 0.00 66.41 65.80 1j0i h THR 224 Cb 0.08 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1j0i h THR 224 CO -0.02 0.50 -0.09 0.25 0.37 0.00 0.00 175.52 176.53 1j0i h LEU 225 N 0.81 0.61 -1.18 2.58 5.85 -0.75 -1.44 115.31 121.80 1j0i h LEU 225 Ca 0.08 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.47 1j0i h LEU 225 Cb 0.90 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 1j0i h LEU 225 CO 0.08 0.85 0.57 0.50 -0.34 0.00 0.00 178.44 180.10 1j0i h LYS 226 N 0.37 1.01 -0.14 1.25 1.63 -0.92 -0.46 116.57 119.32 1j0i h LYS 226 Ca 0.08 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.77 1j0i h LYS 226 Cb 0.59 -0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1j0i h LYS 226 CO 0.03 0.67 -0.10 1.15 -3.45 0.00 0.00 179.45 177.75 1j0i h THR 227 N 1.04 1.33 -0.52 1.00 2.02 -1.13 -1.45 112.91 115.22 1j0i h THR 227 Ca 0.36 -1.20 0.08 0.00 0.77 0.00 0.00 66.41 66.42 1j0i h THR 227 Cb 0.09 1.82 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 1j0i h THR 227 CO -0.12 0.35 0.16 0.25 0.37 0.00 0.00 175.52 176.54 1j0i h LEU 228 N -0.04 0.13 -0.25 2.58 5.85 -0.65 0.60 115.31 123.53 1j0i h LEU 228 Ca 0.03 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1j0i h LEU 228 Cb 0.60 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1j0i h LEU 228 CO 0.03 0.10 0.03 0.40 -0.34 0.00 0.00 178.44 178.66 1j0i h ILE 229 N 0.33 1.23 -0.37 4.05 2.04 -1.06 -0.22 117.51 123.51 1j0i h ILE 229 Ca 0.25 -0.79 -0.10 0.00 1.00 0.00 0.00 64.86 65.22 1j0i h ILE 229 Cb 0.30 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1j0i h ILE 229 CO -0.28 0.25 -0.19 0.44 0.00 0.00 0.00 178.15 178.37 1j0i h ASP 230 N 0.21 0.72 0.01 1.72 3.32 -0.86 0.23 116.42 121.77 1j0i h ASP 230 Ca 0.07 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 1j0i h ASP 230 Cb 0.34 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1j0i h ASP 230 CO 0.01 0.90 -0.18 -0.09 -1.72 0.00 0.00 179.24 178.16 1j0i h ARG 231 N 0.63 0.32 -0.03 3.56 9.65 0.36 -0.88 114.38 127.99 1j0i h ARG 231 Ca 0.10 -0.09 -0.03 0.00 -1.10 0.00 0.00 59.98 58.86 1j0i h ARG 231 Cb 0.67 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 1j0i h ARG 231 CO 0.05 0.50 -0.08 0.00 2.80 0.00 0.00 179.97 183.24 1j0i h HIS 233 N -0.43 0.60 -0.84 0.00 3.86 -0.73 -0.02 115.15 117.58 1j0i h HIS 233 Ca -0.00 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.29 1j0i h HIS 233 Cb 0.68 -0.20 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 1j0i h HIS 233 CO 0.13 0.35 0.55 1.49 0.86 0.00 0.00 177.93 181.30 1j0i h GLU 234 N 0.62 0.89 -0.63 2.45 4.81 -1.14 -1.67 114.58 119.91 1j0i h GLU 234 Ca 0.23 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1j0i h GLU 234 Cb 0.12 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1j0i h GLU 234 CO -0.06 0.59 0.00 1.63 -0.73 0.00 0.00 179.01 180.44 1j0i n LYS 235 N -4.49 3.35 -2.67 1.92 5.02 -0.16 -4.93 118.16 116.19 1j0i n LYS 235 Ca 0.13 -2.36 -0.12 0.00 -2.02 0.00 0.00 58.31 53.93 1j0i n LYS 235 Cb 0.22 -1.82 0.02 0.00 -0.02 0.00 0.00 35.03 33.43 1j0i n LYS 235 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j0i n GLY 236 N 0.93 0.01 3.26 0.72 0.00 -0.63 -5.03 105.19 104.46 1j0i n GLY 236 Ca 0.21 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1j0i n GLY 236 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j0i s ILE 237 N -2.88 2.43 0.25 -0.61 1.01 -0.36 -4.70 121.20 116.34 1j0i s ILE 237 Ca 0.17 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 1j0i s ILE 237 Cb -0.07 -1.98 -0.06 0.00 0.01 0.00 0.00 42.46 40.35 1j0i s ILE 237 CO 0.21 0.54 0.55 -0.13 0.00 0.00 0.00 174.94 176.10 1j0i s ARG 238 N 0.54 3.73 -0.10 2.79 1.81 -0.62 -3.28 118.95 123.83 1j0i s ARG 238 Ca -0.12 0.17 0.04 0.00 -1.72 0.00 0.00 55.73 54.10 1j0i s ARG 238 Cb -0.16 -2.65 0.00 0.00 -0.45 0.00 0.00 34.95 31.69 1j0i s ARG 238 CO 0.04 0.28 -0.23 0.08 -0.68 0.00 0.00 175.30 174.79 1j0i s VAL 239 N -1.92 1.95 -0.11 3.52 1.01 -1.26 -0.31 120.40 123.27 1j0i s VAL 239 Ca 0.46 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1j0i s VAL 239 Cb -0.11 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1j0i s VAL 239 CO 0.25 0.54 -0.23 -0.32 0.00 0.00 0.00 175.10 175.34 1j0i s MET 240 N 0.37 3.06 0.22 2.72 1.75 0.39 0.11 119.30 127.92 1j0i s MET 240 Ca -0.18 -0.86 0.05 0.00 -1.25 0.00 0.00 55.69 53.45 1j0i s MET 240 Cb -0.18 -2.36 -0.03 0.00 2.84 0.00 0.00 34.83 35.10 1j0i s MET 240 CO 0.08 0.13 0.29 -0.51 -0.65 0.00 0.00 175.02 174.37 1j0i s LEU 241 N 0.47 4.19 -0.16 4.11 1.43 -0.26 -1.26 118.68 127.19 1j0i s LEU 241 Ca -0.15 0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 52.79 1j0i s LEU 241 Cb -0.17 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 1j0i s LEU 241 CO 0.06 -0.03 0.47 -0.62 0.23 0.00 0.00 176.35 176.47 1j0i s ASP 242 N -3.72 6.59 -0.39 2.29 3.68 -1.11 -0.32 116.67 123.70 1j0i s ASP 242 Ca 0.34 0.71 -0.09 0.00 2.13 0.00 0.00 52.55 55.63 1j0i s ASP 242 Cb -0.09 -2.28 0.05 0.00 -1.45 0.00 0.00 42.92 39.15 1j0i s ASP 242 CO 0.28 -0.08 0.21 0.00 0.13 0.00 0.00 175.17 175.71 1j0i s ALA 243 N 1.11 3.24 -1.17 3.66 0.00 0.63 -4.66 121.76 124.56 1j0i s ALA 243 Ca 0.24 -1.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.22 1j0i s ALA 243 Cb -0.15 -2.56 0.24 0.00 0.00 0.00 0.00 23.12 20.65 1j0i s ALA 243 CO 0.09 -1.49 1.59 0.28 0.00 0.00 0.00 175.76 176.24 1j0i n VAL 244 N 4.93 4.77 0.18 0.00 0.31 -1.26 -0.99 118.33 126.26 1j0i n VAL 244 Ca -0.11 -5.17 0.12 0.00 -0.01 0.00 0.00 64.34 59.17 1j0i n VAL 244 Cb 0.44 -2.28 0.04 0.00 -0.91 0.00 0.00 33.84 31.14 1j0i n VAL 244 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1j0i h PHE 245 N 5.86 0.00 -0.37 3.52 -1.00 -1.95 -3.37 116.94 119.62 1j0i h PHE 245 Ca 0.28 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.00 1j0i h PHE 245 Cb 0.67 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.21 1j0i h PHE 245 CO 1.09 0.00 -0.02 -0.97 -1.61 0.00 0.00 178.31 176.79 1j0i h ASN 246 N 0.00 0.56 -5.21 2.17 -1.24 -1.86 -3.43 115.58 106.58 1j0i h ASN 246 Ca 0.00 -0.12 -0.10 0.00 0.71 0.00 0.00 56.30 56.79 1j0i h ASN 246 Cb 0.97 -0.15 -0.13 0.00 0.73 0.00 0.00 38.32 39.74 1j0i h ASN 246 CO 0.00 0.65 -0.36 -1.38 -1.29 0.00 0.00 177.43 175.05 1j0i s HIS 247 N -4.93 0.28 0.33 0.67 -3.43 -1.26 -1.17 115.29 105.78 1j0i s HIS 247 Ca -0.08 -0.68 0.02 0.00 -0.80 0.00 0.00 55.06 53.51 1j0i s HIS 247 Cb 0.15 -0.07 0.02 0.00 -1.43 0.00 0.00 32.58 31.25 1j0i s HIS 247 CO 0.78 -0.62 0.15 0.00 -2.00 0.00 0.00 174.74 173.05 1j0i s GLY 249 N -3.00 1.76 0.49 0.00 0.00 0.26 -3.22 107.32 103.60 1j0i s GLY 249 Ca 0.12 -1.34 0.20 0.00 0.00 0.00 0.00 44.72 43.69 1j0i s GLY 249 CO 0.07 -1.12 2.05 -1.82 0.00 0.00 0.00 173.10 172.28 1j0i h TYR 250 N 0.35 0.00 -0.46 1.90 3.20 -1.18 -2.24 116.97 118.53 1j0i h TYR 250 Ca -0.43 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1j0i h TYR 250 Cb 1.28 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.55 1j0i h TYR 250 CO 0.40 0.14 0.00 0.39 -1.64 0.00 0.00 178.16 177.45 1j0i n GLU 251 N -4.10 2.31 -2.15 1.82 1.02 -1.26 -4.33 120.64 113.95 1j0i n GLU 251 Ca -0.02 -1.76 -0.42 0.00 -0.02 0.00 0.00 57.16 54.93 1j0i n GLU 251 Cb 0.22 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 1j0i n GLU 251 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1j0i s PHE 252 N -1.47 2.80 0.20 -0.32 5.36 -0.84 -4.75 117.98 118.96 1j0i s PHE 252 Ca 0.32 0.73 -0.20 0.00 -0.96 0.00 0.00 56.93 56.82 1j0i s PHE 252 Cb 0.18 -3.73 0.16 0.00 -0.34 0.00 0.00 43.02 39.29 1j0i s PHE 252 CO 0.20 -2.74 1.58 0.00 -1.46 0.00 0.00 175.22 172.80 1j0i h ALA 253 N 7.84 0.02 -0.98 11.12 0.00 -1.90 0.12 119.26 135.48 1j0i h ALA 253 Ca -0.39 0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.81 1j0i h ALA 253 Cb 1.19 0.83 -0.08 0.00 0.00 0.00 0.00 17.79 19.73 1j0i h ALA 253 CO 0.90 -0.66 0.63 -1.35 0.00 0.00 0.00 179.25 178.77 1j0i h PRO 254 N -0.12 1.00 -0.24 0.00 0.11 -1.94 -1.01 132.00 129.80 1j0i h PRO 254 Ca 0.26 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 66.15 1j0i h PRO 254 Cb 0.56 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1j0i h PRO 254 CO -0.75 0.66 -0.50 0.35 -0.21 0.00 0.00 178.00 177.54 1j0i h PHE 255 N 1.03 0.81 0.00 0.65 3.57 -1.47 -2.41 116.94 119.12 1j0i h PHE 255 Ca 0.46 -0.27 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1j0i h PHE 255 Cb 0.38 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1j0i h PHE 255 CO -0.00 1.02 -0.14 1.96 -2.23 0.00 0.00 178.31 178.92 1j0i h GLN 256 N 0.51 0.00 -0.14 1.11 4.20 -0.00 -0.24 115.11 120.55 1j0i h GLN 256 Ca 0.02 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.56 1j0i h GLN 256 Cb 1.06 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.84 1j0i h GLN 256 CO 0.10 0.14 -0.57 0.22 -0.67 0.00 0.00 178.83 178.05 1j0i h ASP 257 N 0.00 0.75 0.26 1.46 3.58 -0.85 -2.76 116.42 118.86 1j0i h ASP 257 Ca -0.00 -0.62 -0.07 0.00 0.42 0.00 0.00 57.03 56.76 1j0i h ASP 257 Cb 0.25 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1j0i h ASP 257 CO 0.02 1.24 -0.30 0.58 -2.88 0.00 0.00 179.24 177.90 1j0i h VAL 258 N 0.30 1.24 -0.21 2.25 2.07 -0.95 -0.04 116.25 120.92 1j0i h VAL 258 Ca -0.03 -1.13 -0.08 0.00 0.82 0.00 0.00 66.70 66.28 1j0i h VAL 258 Cb 1.20 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1j0i h VAL 258 CO 0.12 0.33 -0.24 -0.25 0.02 0.00 0.00 177.57 177.55 1j0i h TRP 259 N 0.08 0.42 0.09 1.57 2.91 -0.94 0.86 115.95 120.94 1j0i h TRP 259 Ca 0.01 -0.08 -0.36 0.00 1.13 0.00 0.00 58.89 59.59 1j0i h TRP 259 Cb 0.58 -0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 29.10 1j0i h TRP 259 CO 0.00 0.60 -2.01 1.17 -1.03 0.00 0.00 178.44 177.17 1j0i n LYS 260 N -4.14 0.72 -0.31 2.65 4.81 -0.99 -4.48 118.16 116.42 1j0i n LYS 260 Ca -0.01 0.28 0.10 0.00 -0.87 0.00 0.00 58.31 57.81 1j0i n LYS 260 Cb 0.38 -1.68 0.27 0.00 0.02 0.00 0.00 35.03 34.02 1j0i n LYS 260 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1j0i n ASN 261 N -3.56 3.64 0.00 3.14 3.02 -0.06 -5.06 115.26 116.38 1j0i n ASN 261 Ca -0.34 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.21 1j0i n ASN 261 Cb 1.00 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 1j0i n ASN 261 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j0i n GLY 262 N 1.30 2.67 0.20 7.41 0.00 0.30 -2.20 105.19 114.87 1j0i n GLY 262 Ca 0.21 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.28 1j0i n GLY 262 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j0i h GLU 263 N 0.00 0.00 0.00 1.61 4.81 -1.96 -2.64 114.58 116.40 1j0i h GLU 263 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1j0i h GLU 263 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1j0i h GLU 263 CO 0.00 0.00 -0.29 0.66 -0.73 0.00 0.00 179.01 178.65 1j0i h SER 264 N 0.00 0.00 -3.52 1.04 4.64 -1.84 -3.47 113.55 110.40 1j0i h SER 264 Ca 0.00 -0.03 -0.56 0.00 -0.47 0.00 0.00 61.79 60.73 1j0i h SER 264 Cb 0.25 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.45 1j0i h SER 264 CO 0.00 0.02 0.59 -0.24 -0.87 0.00 0.00 176.83 176.32 1j0i n SER 265 N -2.68 3.05 0.00 4.97 2.88 -0.99 -4.87 113.62 115.97 1j0i n SER 265 Ca 0.03 1.20 0.08 0.00 -1.33 0.00 0.00 58.87 58.86 1j0i n SER 265 Cb 0.50 -1.53 0.38 0.00 -0.75 0.00 0.00 64.21 62.81 1j0i n SER 265 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1j0i n LYS 266 N 0.46 0.05 -0.15 -1.46 2.85 -1.26 -2.64 118.16 116.01 1j0i n LYS 266 Ca 0.04 0.19 0.08 0.00 -1.05 0.00 0.00 58.31 57.57 1j0i n LYS 266 Cb 0.37 -1.50 0.15 0.00 -0.65 0.00 0.00 35.03 33.41 1j0i n LYS 266 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1j0i n TYR 267 N -1.46 0.38 -0.02 5.58 4.01 -1.26 -4.63 117.16 119.77 1j0i n TYR 267 Ca 0.05 -0.29 0.13 0.00 -0.16 0.00 0.00 57.90 57.62 1j0i n TYR 267 Cb 0.19 -0.01 0.56 0.00 -0.31 0.00 0.00 39.34 39.76 1j0i n TYR 267 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1j0i h LYS 268 N 2.94 0.27 -0.07 -0.72 5.09 -1.79 -0.39 116.57 121.89 1j0i h LYS 268 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.72 1j0i h LYS 268 Cb 0.75 -0.06 0.00 0.00 0.10 0.00 0.00 32.23 33.02 1j0i h LYS 268 CO 0.00 0.18 0.00 -3.47 -2.09 0.00 0.00 179.45 174.07 1j0i n ASP 269 N -4.46 0.69 -0.07 7.07 4.64 -1.26 -3.19 116.55 119.97 1j0i n ASP 269 Ca 0.08 -1.57 0.14 0.00 -1.38 0.00 0.00 54.79 52.06 1j0i n ASP 269 Cb 0.38 -0.05 0.58 0.00 -1.04 0.00 0.00 41.12 40.99 1j0i n ASP 269 CO 0.00 0.00 0.00 0.79 -0.82 0.00 0.00 177.20 177.17 1j0i n TRP 270 N -0.31 0.00 -4.11 -0.67 7.02 -0.16 -4.71 117.44 114.50 1j0i n TRP 270 Ca 0.14 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.57 1j0i n TRP 270 Cb 0.17 -0.25 -0.01 0.00 -2.42 0.00 0.00 31.31 28.79 1j0i n TRP 270 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1j0i n PHE 271 N -1.14 0.06 -3.93 -5.99 3.72 -1.19 -0.27 117.46 108.73 1j0i n PHE 271 Ca 0.12 -0.51 -0.30 0.00 -0.05 0.00 0.00 57.45 56.71 1j0i n PHE 271 Cb 0.29 -0.01 -0.14 0.00 -0.94 0.00 0.00 39.48 38.68 1j0i n PHE 271 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1j0i s HIS 272 N -1.75 3.22 -0.17 1.38 3.76 -1.24 -4.60 115.29 115.89 1j0i s HIS 272 Ca 0.03 -3.19 -0.07 0.00 -0.15 0.00 0.00 55.06 51.69 1j0i s HIS 272 Cb 0.00 -2.76 -0.04 0.00 1.11 0.00 0.00 32.58 30.89 1j0i s HIS 272 CO 0.02 -0.70 0.06 0.42 -0.85 0.00 0.00 174.74 173.69 1j0i s ILE 273 N -0.54 4.74 -0.12 0.60 1.01 -1.26 -0.57 121.20 125.06 1j0i s ILE 273 Ca 0.19 -0.06 0.17 0.00 0.00 0.00 0.00 60.65 60.95 1j0i s ILE 273 Cb -0.21 -3.12 -0.21 0.00 0.01 0.00 0.00 42.46 38.93 1j0i s ILE 273 CO -0.04 0.49 0.53 1.41 0.00 0.00 0.00 174.94 177.33 1j0i n HIS 274 N 3.30 0.59 -3.59 3.97 8.25 0.77 -4.98 115.22 123.53 1j0i n HIS 274 Ca -0.17 0.20 -0.16 0.00 -0.26 0.00 0.00 57.72 57.33 1j0i n HIS 274 Cb 0.53 -1.02 -0.07 0.00 1.12 0.00 0.00 29.99 30.55 1j0i n HIS 274 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1j0i s GLU 275 N -2.80 0.96 -0.02 -0.41 -1.05 -1.22 -5.08 118.70 109.08 1j0i s GLU 275 Ca -0.06 0.09 0.06 0.00 -0.15 0.00 0.00 54.97 54.91 1j0i s GLU 275 Cb 0.08 0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 34.19 1j0i s GLU 275 CO 0.83 -0.30 -0.18 -0.06 0.95 0.00 0.00 175.26 176.50 1j0i s PHE 276 N -1.36 2.57 0.86 4.83 0.08 -1.26 -4.11 117.98 119.59 1j0i s PHE 276 Ca -0.11 -0.25 -0.12 0.00 0.12 0.00 0.00 56.93 56.57 1j0i s PHE 276 Cb -0.01 -1.55 0.11 0.00 -0.57 0.00 0.00 43.02 40.99 1j0i s PHE 276 CO 0.07 0.15 1.12 -1.25 -0.10 0.00 0.00 175.22 175.21 1j0i s PRO 277 N -0.91 1.59 0.32 0.24 0.04 -1.26 -5.04 135.00 129.98 1j0i s PRO 277 Ca 0.12 0.47 -0.27 0.00 0.04 0.00 0.00 61.00 61.36 1j0i s PRO 277 Cb -0.10 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 1j0i s PRO 277 CO 0.02 -1.93 1.00 -0.51 0.04 0.00 0.00 177.00 175.62 1j0i s LEU 278 N -5.92 4.37 -0.01 -3.56 1.02 -1.26 -5.01 118.68 108.31 1j0i s LEU 278 Ca 0.62 1.99 -0.16 0.00 0.02 0.00 0.00 54.13 56.60 1j0i s LEU 278 Cb -0.15 -3.93 0.03 0.00 0.02 0.00 0.00 46.19 42.16 1j0i s LEU 278 CO 0.54 -0.17 0.35 0.00 0.02 0.00 0.00 176.35 177.09 1j0i s GLN 279 N -1.94 0.72 -0.01 1.70 -2.07 -1.26 -5.05 119.66 111.76 1j0i s GLN 279 Ca 0.50 -0.18 0.19 0.00 -1.82 0.00 0.00 55.36 54.05 1j0i s GLN 279 Cb -0.23 0.32 -0.24 0.00 -1.09 0.00 0.00 33.01 31.77 1j0i s GLN 279 CO 0.29 -0.21 0.71 0.25 -1.32 0.00 0.00 175.29 175.01 1j0i n THR 280 N 1.16 0.00 -5.03 3.63 -2.24 -1.26 -2.73 114.28 107.81 1j0i n THR 280 Ca -0.21 -0.16 -0.32 0.00 -2.27 0.00 0.00 64.05 61.08 1j0i n THR 280 Cb 0.56 0.73 -0.15 0.00 -2.10 0.00 0.00 70.33 69.37 1j0i n THR 280 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1j0i s GLU 281 N -2.98 2.60 0.06 -0.78 0.41 -1.26 -2.42 118.70 114.32 1j0i s GLU 281 Ca 0.03 -0.78 0.23 0.00 -0.41 0.00 0.00 54.97 54.04 1j0i s GLU 281 Cb 0.14 -2.31 0.96 0.00 -1.78 0.00 0.00 34.13 31.13 1j0i s GLU 281 CO 0.80 0.49 1.74 -0.35 -0.49 0.00 0.00 175.26 177.45 1j0i n PRO 282 N 2.68 0.06 -3.57 0.39 -0.04 -1.26 -4.92 135.00 128.34 1j0i n PRO 282 Ca -0.17 0.15 -0.16 0.00 -0.04 0.00 0.00 63.50 63.28 1j0i n PRO 282 Cb 0.52 -1.58 -0.07 0.00 -0.04 0.00 0.00 33.50 32.33 1j0i n PRO 282 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1j0i s ARG 283 N -3.05 0.96 0.17 0.54 1.70 -1.01 -5.15 118.95 113.11 1j0i s ARG 283 Ca 0.10 0.45 -0.34 0.00 -0.47 0.00 0.00 55.73 55.48 1j0i s ARG 283 Cb 0.14 0.46 -0.15 0.00 -0.57 0.00 0.00 34.95 34.83 1j0i s ARG 283 CO 0.44 -0.25 1.42 -2.30 -1.08 0.00 0.00 175.30 173.53 1j0i n PRO 284 N 1.49 1.76 -0.77 3.89 -0.02 -1.22 -4.57 135.00 135.55 1j0i n PRO 284 Ca -0.18 0.63 -0.05 0.00 -2.02 0.00 0.00 63.50 61.89 1j0i n PRO 284 Cb 0.56 -2.31 0.23 0.00 -0.02 0.00 0.00 33.50 31.97 1j0i n PRO 284 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1j0i n ASN 285 N 2.69 4.10 -3.99 2.55 0.23 -1.10 -4.83 115.26 114.92 1j0i n ASN 285 Ca 0.16 -2.90 -0.09 0.00 -0.53 0.00 0.00 54.58 51.21 1j0i n ASN 285 Cb 0.27 -0.69 -0.11 0.00 -2.08 0.00 0.00 39.78 37.17 1j0i n ASN 285 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 1j0i s TYR 286 N -2.36 0.27 0.47 -2.53 1.13 -1.26 -0.16 117.35 112.91 1j0i s TYR 286 Ca 0.41 -0.56 -0.24 0.00 -1.41 0.00 0.00 57.07 55.28 1j0i s TYR 286 Cb 0.33 -0.20 -0.07 0.00 -1.10 0.00 0.00 41.96 40.92 1j0i s TYR 286 CO 0.10 -0.20 1.28 -0.51 -2.51 0.00 0.00 175.55 173.71 1j0i s ASP 287 N -1.55 5.93 0.23 -0.18 1.01 0.26 -4.92 116.67 117.45 1j0i s ASP 287 Ca -0.15 2.58 -0.07 0.00 0.71 0.00 0.00 52.55 55.62 1j0i s ASP 287 Cb -0.09 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.19 1j0i s ASP 287 CO -0.02 -1.11 0.32 0.42 0.21 0.00 0.00 175.17 175.00 1j0i s THR 288 N -1.37 0.00 0.18 -1.27 -4.23 -1.26 -0.87 115.64 106.82 1j0i s THR 288 Ca 0.64 -1.69 -0.31 0.00 -1.18 0.00 0.00 61.69 59.15 1j0i s THR 288 Cb -0.36 -2.36 -0.09 0.00 1.34 0.00 0.00 72.50 71.03 1j0i s THR 288 CO 0.44 0.00 1.43 0.12 -0.54 0.00 0.00 174.62 176.07 1j0i s PHE 289 N -4.04 3.14 0.00 3.99 5.36 -0.60 -4.60 117.98 121.23 1j0i s PHE 289 Ca 0.30 0.94 0.00 0.00 -0.96 0.00 0.00 56.93 57.21 1j0i s PHE 289 Cb 0.03 -3.76 0.00 0.00 -0.34 0.00 0.00 43.02 38.94 1j0i s PHE 289 CO 0.11 -2.62 0.00 0.00 -1.46 0.00 0.00 175.22 171.25 1j0i n ALA 290 N 3.30 0.00 -1.63 11.12 0.00 -1.26 -1.00 120.51 131.03 1j0i n ALA 290 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.60 1j0i n ALA 290 Cb 0.41 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.01 1j0i n ALA 290 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1j0i n PHE 291 N 14.00 0.00 -2.60 0.00 3.01 -1.26 -5.03 117.46 125.59 1j0i n PHE 291 Ca 0.00 -1.14 -0.43 0.00 1.01 0.00 0.00 57.45 56.89 1j0i n PHE 291 Cb 0.00 -0.20 -0.02 0.00 -0.01 0.00 0.00 39.48 39.25 1j0i n PHE 291 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1j0i s VAL 292 N -2.47 4.30 0.39 -4.37 1.01 -0.17 -4.89 120.40 114.21 1j0i s VAL 292 Ca 0.34 1.41 0.07 0.00 0.00 0.00 0.00 61.98 63.79 1j0i s VAL 292 Cb 0.33 -4.50 0.28 0.00 0.00 0.00 0.00 36.38 32.49 1j0i s VAL 292 CO -0.06 -0.78 2.02 -0.65 0.00 0.00 0.00 175.10 175.64 1j0i h PRO 293 N 8.86 0.63 0.00 2.72 0.11 -1.95 -2.09 132.00 140.28 1j0i h PRO 293 Ca -0.22 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1j0i h PRO 293 Cb 1.06 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1j0i h PRO 293 CO 1.09 0.41 0.00 1.04 -0.21 0.00 0.00 178.00 180.33 1j0i n GLN 294 N -4.47 0.63 -3.58 1.05 3.00 -1.26 -4.25 117.38 108.50 1j0i n GLN 294 Ca 0.06 0.02 -0.27 0.00 -0.01 0.00 0.00 57.00 56.80 1j0i n GLN 294 Cb 0.12 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 28.76 1j0i n GLN 294 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1j0i n MET 295 N -1.08 1.95 -1.72 -1.09 2.81 -0.79 -0.75 117.12 116.45 1j0i n MET 295 Ca 0.16 -4.38 -0.42 0.00 -1.81 0.00 0.00 57.70 51.25 1j0i n MET 295 Cb 0.11 -2.14 -0.03 0.00 -0.71 0.00 0.00 33.22 30.45 1j0i n MET 295 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1j0i s PRO 296 N -1.81 4.12 0.13 0.03 0.02 -1.20 -1.56 135.00 134.73 1j0i s PRO 296 Ca 0.33 2.62 -0.31 0.00 0.02 0.00 0.00 61.00 63.67 1j0i s PRO 296 Cb 0.07 -3.13 -0.08 0.00 0.02 0.00 0.00 34.50 31.39 1j0i s PRO 296 CO -0.09 -0.77 1.29 0.21 -0.33 0.00 0.00 177.00 177.31 1j0i s LYS 297 N 1.34 4.39 0.35 5.54 2.20 -0.05 -1.41 119.74 132.11 1j0i s LYS 297 Ca 0.76 1.96 -0.20 0.00 -0.36 0.00 0.00 55.97 58.13 1j0i s LYS 297 Cb -0.50 -3.26 -0.10 0.00 -1.51 0.00 0.00 37.83 32.47 1j0i s LYS 297 CO 0.32 -0.29 0.85 -0.51 -0.36 0.00 0.00 175.35 175.36 1j0i s LEU 298 N 0.60 4.11 -0.75 5.43 1.43 -0.32 -3.61 118.68 125.58 1j0i s LEU 298 Ca 0.59 1.55 -0.16 0.00 -1.03 0.00 0.00 54.13 55.08 1j0i s LEU 298 Cb -0.34 -4.16 0.16 0.00 0.03 0.00 0.00 46.19 41.88 1j0i s LEU 298 CO 0.33 -0.20 0.78 0.21 0.23 0.00 0.00 176.35 177.70 1j0i s ASN 299 N -2.02 6.52 0.00 2.29 2.47 0.63 -4.89 114.94 119.94 1j0i s ASN 299 Ca 0.55 -2.15 0.06 0.00 0.42 0.00 0.00 52.86 51.74 1j0i s ASN 299 Cb -0.12 -2.27 0.37 0.00 -1.45 0.00 0.00 41.25 37.78 1j0i s ASN 299 CO 0.18 -0.83 1.01 0.35 -3.72 0.00 0.00 177.10 174.08 1j0i n THR 300 N 4.81 0.00 0.95 -5.21 -2.24 -1.26 -1.75 114.28 109.58 1j0i n THR 300 Ca 0.06 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.94 1j0i n THR 300 Cb 0.45 -0.26 -0.11 0.00 -2.10 0.00 0.00 70.33 68.31 1j0i n THR 300 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j0i n ALA 301 N -0.63 4.62 -2.68 6.98 0.00 -1.26 -4.63 120.51 122.91 1j0i n ALA 301 Ca 0.05 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 1j0i n ALA 301 Cb 0.02 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 1j0i n ALA 301 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1j0i s ASN 302 N -3.08 7.16 0.48 0.00 3.84 -0.71 -4.93 114.94 117.70 1j0i s ASN 302 Ca 0.07 1.43 0.24 0.00 0.21 0.00 0.00 52.86 54.82 1j0i s ASN 302 Cb 0.16 -2.53 1.29 0.00 -0.55 0.00 0.00 41.25 39.62 1j0i s ASN 302 CO 0.86 -0.47 1.89 1.55 -2.79 0.00 0.00 177.10 178.15 1j0i h PRO 303 N 7.19 0.18 0.13 0.43 0.13 -1.90 0.47 132.00 138.63 1j0i h PRO 303 Ca -0.29 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 1j0i h PRO 303 Cb 1.13 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1j0i h PRO 303 CO 0.87 0.12 -0.06 0.93 -0.23 0.00 0.00 178.00 179.63 1j0i h GLU 304 N 0.18 -0.16 -0.48 0.86 3.07 -1.93 -2.34 114.58 113.77 1j0i h GLU 304 Ca 0.42 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 59.35 1j0i h GLU 304 Cb 1.37 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 29.26 1j0i h GLU 304 CO -0.08 0.30 0.18 0.28 -1.40 0.00 0.00 179.01 178.29 1j0i h VAL 305 N -0.75 0.85 -0.39 3.13 2.07 -1.63 -0.53 116.25 119.01 1j0i h VAL 305 Ca -0.02 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.41 1j0i h VAL 305 Cb 0.54 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1j0i h VAL 305 CO 0.03 0.07 0.20 0.50 0.02 0.00 0.00 177.57 178.38 1j0i h LYS 306 N 0.36 0.39 -0.50 1.57 3.64 -0.98 -0.30 116.57 120.74 1j0i h LYS 306 Ca 0.23 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1j0i h LYS 306 Cb 0.23 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1j0i h LYS 306 CO -0.22 0.26 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.09 1j0i h ARG 307 N 0.40 0.91 0.46 1.90 9.65 -1.02 -1.24 114.38 125.44 1j0i h ARG 307 Ca 0.16 -0.31 -0.02 0.00 -1.10 0.00 0.00 59.98 58.71 1j0i h ARG 307 Cb 0.06 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1j0i h ARG 307 CO -0.11 0.95 -0.22 -0.92 2.80 0.00 0.00 179.97 182.48 1j0i h TYR 308 N 0.77 -0.57 -0.96 2.20 5.03 -0.72 0.36 116.97 123.09 1j0i h TYR 308 Ca 0.14 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.44 1j0i h TYR 308 Cb 0.57 0.19 -0.05 0.00 1.55 0.00 0.00 36.73 38.99 1j0i h TYR 308 CO 0.04 -0.32 0.63 -0.07 -1.32 0.00 0.00 178.16 177.12 1j0i h LEU 309 N -0.68 1.11 -0.95 2.82 3.38 -1.07 -0.33 115.31 119.60 1j0i h LEU 309 Ca -0.06 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1j0i h LEU 309 Cb 0.51 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1j0i h LEU 309 CO 0.10 0.81 -0.02 -0.07 0.09 0.00 0.00 178.44 179.35 1j0i h LEU 310 N 1.30 0.71 0.04 1.67 3.38 -1.13 0.34 115.31 121.62 1j0i h LEU 310 Ca 0.35 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1j0i h LEU 310 Cb -0.14 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.42 1j0i h LEU 310 CO -0.07 0.79 -0.02 0.44 0.09 0.00 0.00 178.44 179.67 1j0i h ASP 311 N 0.69 -0.05 -0.30 -0.43 3.32 -0.01 -0.60 116.42 119.03 1j0i h ASP 311 Ca 0.13 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 57.09 1j0i h ASP 311 Cb 0.46 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.95 1j0i h ASP 311 CO 0.02 0.13 -0.20 0.58 -1.72 0.00 0.00 179.24 178.06 1j0i h VAL 312 N -0.23 0.45 -0.83 -1.35 2.07 -0.66 0.78 116.25 116.48 1j0i h VAL 312 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 1j0i h VAL 312 Cb 0.21 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 1j0i h VAL 312 CO 0.01 0.00 0.48 0.00 0.02 0.00 0.00 177.57 178.08 1j0i h ALA 313 N 1.01 1.19 0.02 1.67 0.00 -0.04 -2.57 119.26 120.54 1j0i h ALA 313 Ca 0.16 0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.85 1j0i h ALA 313 Cb 0.41 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1j0i h ALA 313 CO -0.40 0.10 -1.27 1.79 0.00 0.00 0.00 179.25 179.47 1j0i h THR 314 N 0.80 1.40 0.39 0.00 1.35 -0.24 -3.35 112.91 113.25 1j0i h THR 314 Ca 0.40 -3.14 -0.01 0.00 -0.55 0.00 0.00 66.41 63.12 1j0i h THR 314 Cb 0.37 2.72 -0.03 0.00 -1.73 0.00 0.00 68.15 69.48 1j0i h THR 314 CO -0.25 0.82 -0.50 0.22 -0.25 0.00 0.00 175.52 175.56 1j0i h TYR 315 N 0.01 -1.39 0.00 4.73 3.20 0.96 -0.11 116.97 124.37 1j0i h TYR 315 Ca -0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1j0i h TYR 315 Cb 1.88 0.56 0.00 0.00 1.54 0.00 0.00 36.73 40.70 1j0i h TYR 315 CO 0.01 -0.64 0.00 -1.49 -1.64 0.00 0.00 178.16 174.40 1j0i h TRP 316 N -0.92 0.00 0.13 -3.82 4.06 -1.70 0.75 115.95 114.45 1j0i h TRP 316 Ca -0.04 0.00 -0.35 0.00 2.06 0.00 0.00 58.89 60.56 1j0i h TRP 316 Cb 0.83 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.98 1j0i h TRP 316 CO -0.30 0.00 -1.88 0.82 -3.56 0.00 0.00 178.44 173.52 1j0i h ILE 317 N 0.00 0.72 0.08 1.49 2.04 -1.53 -2.92 117.51 117.39 1j0i h ILE 317 Ca 0.00 -2.36 -0.25 0.00 1.00 0.00 0.00 64.86 63.25 1j0i h ILE 317 Cb 0.12 2.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1j0i h ILE 317 CO 0.00 0.85 -1.12 -0.09 0.00 0.00 0.00 178.15 177.79 1j0i h ARG 318 N -0.01 0.23 0.00 2.37 2.43 -0.59 -1.16 114.38 117.65 1j0i h ARG 318 Ca -0.40 -0.35 -0.04 0.00 -0.81 0.00 0.00 59.98 58.39 1j0i h ARG 318 Cb 1.99 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.65 1j0i h ARG 318 CO 0.08 1.13 -1.21 0.39 -1.51 0.00 0.00 179.97 178.86 1j0i n GLU 319 N -3.54 0.62 0.00 0.20 -0.58 0.22 -4.50 120.64 113.05 1j0i n GLU 319 Ca -0.06 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1j0i n GLU 319 Cb 0.96 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 1j0i n GLU 319 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1j0i n PHE 320 N -2.67 0.00 -2.79 -0.32 3.72 -1.11 -5.04 117.46 109.25 1j0i n PHE 320 Ca -0.03 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.19 1j0i n PHE 320 Cb 0.61 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.18 1j0i n PHE 320 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1j0i n ASP 321 N -0.45 -5.41 -4.72 4.37 4.64 -0.44 -4.89 116.55 109.66 1j0i n ASP 321 Ca 0.00 -0.20 -0.34 0.00 -1.38 0.00 0.00 54.79 52.87 1j0i n ASP 321 Cb 0.02 -4.30 0.10 0.00 -1.04 0.00 0.00 41.12 35.91 1j0i n ASP 321 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 1j0i s ILE 322 N -3.05 2.28 -2.08 5.18 -4.36 -1.20 -4.93 121.20 113.04 1j0i s ILE 322 Ca 0.21 0.13 0.19 0.00 -0.26 0.00 0.00 60.65 60.92 1j0i s ILE 322 Cb -0.09 -2.67 0.31 0.00 1.25 0.00 0.00 42.46 41.26 1j0i s ILE 322 CO 0.26 -0.08 1.25 0.47 0.24 0.00 0.00 174.94 177.08 1j0i n ASP 323 N -2.85 3.02 -3.56 4.36 9.92 0.31 -4.83 116.55 122.91 1j0i n ASP 323 Ca 0.13 -1.88 -0.07 0.00 -0.53 0.00 0.00 54.79 52.44 1j0i n ASP 323 Cb 0.50 -0.17 -0.03 0.00 -0.64 0.00 0.00 41.12 40.79 1j0i n ASP 323 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1j0i s GLY 324 N -1.36 -0.33 -0.10 0.44 0.00 -0.99 -1.84 107.32 103.15 1j0i s GLY 324 Ca 0.30 1.55 0.01 0.00 0.00 0.00 0.00 44.72 46.57 1j0i s GLY 324 CO 0.25 0.59 -0.10 -0.98 0.00 0.00 0.00 173.10 172.87 1j0i s TRP 325 N -2.34 1.54 -0.42 1.90 0.23 -0.46 -1.10 118.94 118.28 1j0i s TRP 325 Ca 0.06 -0.71 -0.14 0.00 -2.03 0.00 0.00 56.10 53.28 1j0i s TRP 325 Cb -0.01 -1.21 0.04 0.00 0.03 0.00 0.00 33.47 32.32 1j0i s TRP 325 CO -0.05 -0.44 0.31 0.50 0.96 0.00 0.00 176.95 178.22 1j0i s ARG 326 N 1.31 2.92 -0.61 4.98 3.00 0.56 -0.91 118.95 130.20 1j0i s ARG 326 Ca -0.02 -1.14 -0.28 0.00 -1.00 0.00 0.00 55.73 53.29 1j0i s ARG 326 Cb -0.14 -3.96 0.03 0.00 0.00 0.00 0.00 34.95 30.88 1j0i s ARG 326 CO -0.04 -0.82 1.25 -0.51 0.00 0.00 0.00 175.30 175.18 1j0i s LEU 327 N 1.63 3.38 0.22 -0.88 1.43 0.22 -0.27 118.68 124.41 1j0i s LEU 327 Ca 0.04 0.03 -0.31 0.00 -1.03 0.00 0.00 54.13 52.86 1j0i s LEU 327 Cb -0.21 -3.02 -0.10 0.00 0.03 0.00 0.00 46.19 42.89 1j0i s LEU 327 CO 0.08 -1.60 1.48 -0.62 0.23 0.00 0.00 176.35 175.92 1j0i s ASP 328 N 3.41 6.63 -1.73 2.29 2.15 -0.17 -0.46 116.67 128.79 1j0i s ASP 328 Ca 0.43 2.64 -0.20 0.00 0.43 0.00 0.00 52.55 55.86 1j0i s ASP 328 Cb -0.08 -2.61 0.17 0.00 -0.30 0.00 0.00 42.92 40.10 1j0i s ASP 328 CO 0.23 -0.75 0.75 0.52 -0.17 0.00 0.00 175.17 175.76 1j0i n VAL 329 N 2.94 -0.82 -0.28 1.11 0.31 -1.26 -4.31 118.33 116.02 1j0i n VAL 329 Ca 0.09 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.52 1j0i n VAL 329 Cb 0.40 -1.46 0.24 0.00 -0.91 0.00 0.00 33.84 32.10 1j0i n VAL 329 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j0i h ALA 330 N 0.91 1.11 0.00 3.52 0.00 -1.49 -1.73 119.26 121.58 1j0i h ALA 330 Ca -0.59 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1j0i h ALA 330 Cb 1.38 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1j0i h ALA 330 CO 0.80 -0.41 0.14 -2.95 0.00 0.00 0.00 179.25 176.82 1j0i h ASN 331 N 0.22 0.00 -0.05 0.00 -0.00 -1.88 -2.13 115.58 111.74 1j0i h ASN 331 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.79 1j0i h ASN 331 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.25 1j0i h ASN 331 CO -0.61 0.00 0.00 -0.62 -0.00 0.00 0.00 177.43 176.20 1j0i n GLU 332 N -2.71 1.89 -4.17 4.14 1.02 -0.65 -4.85 120.64 115.31 1j0i n GLU 332 Ca -0.02 -1.30 -0.35 0.00 -0.02 0.00 0.00 57.16 55.47 1j0i n GLU 332 Cb 0.18 -1.47 -0.08 0.00 -0.02 0.00 0.00 31.44 30.06 1j0i n GLU 332 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1j0i s ILE 333 N -1.96 4.73 0.74 -3.67 1.01 -0.80 -5.06 121.20 116.19 1j0i s ILE 333 Ca 0.35 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.66 1j0i s ILE 333 Cb 0.20 -3.06 0.03 0.00 0.01 0.00 0.00 42.46 39.65 1j0i s ILE 333 CO 0.32 0.53 1.14 -0.90 0.00 0.00 0.00 174.94 176.04 1j0i n ASP 334 N 1.82 1.10 -0.07 3.58 5.75 -1.26 -4.91 116.55 122.55 1j0i n ASP 334 Ca -0.17 0.67 -0.03 0.00 -0.01 0.00 0.00 54.79 55.25 1j0i n ASP 334 Cb 0.54 -1.49 0.20 0.00 -1.03 0.00 0.00 41.12 39.34 1j0i n ASP 334 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 1j0i h HIS 335 N -0.32 0.73 -0.80 2.11 3.86 -1.96 -2.84 115.15 115.92 1j0i h HIS 335 Ca -0.48 -0.10 0.02 0.00 -1.16 0.00 0.00 60.37 58.65 1j0i h HIS 335 Cb 1.32 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 29.55 1j0i h HIS 335 CO 0.43 0.70 0.52 1.49 0.86 0.00 0.00 177.93 181.93 1j0i h GLU 336 N 0.64 1.02 -0.39 2.45 4.81 -1.99 -1.42 114.58 119.71 1j0i h GLU 336 Ca 0.13 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 1j0i h GLU 336 Cb 0.44 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1j0i h GLU 336 CO 0.02 0.67 -0.08 0.35 -0.73 0.00 0.00 179.01 179.25 1j0i h PHE 337 N 1.05 0.71 -0.07 0.92 3.04 -1.81 -2.88 116.94 117.89 1j0i h PHE 337 Ca 0.30 -0.11 -0.14 0.00 3.98 0.00 0.00 57.97 62.01 1j0i h PHE 337 Cb -0.07 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.24 1j0i h PHE 337 CO -0.02 0.72 -0.56 -1.49 -2.02 0.00 0.00 178.31 174.94 1j0i h TRP 338 N 0.61 0.29 -0.54 0.41 -0.00 -1.21 0.17 115.95 115.68 1j0i h TRP 338 Ca 0.11 -0.10 -0.07 0.00 -0.00 0.00 0.00 58.89 58.83 1j0i h TRP 338 Cb 0.50 -0.05 -0.02 0.00 -0.00 0.00 0.00 29.16 29.58 1j0i h TRP 338 CO 0.02 0.74 0.05 0.00 -0.00 0.00 0.00 178.44 179.25 1j0i h ARG 339 N 0.17 0.92 -0.43 0.49 3.08 -1.09 0.04 114.38 117.56 1j0i h ARG 339 Ca -0.00 -0.27 -0.13 0.00 0.07 0.00 0.00 59.98 59.65 1j0i h ARG 339 Cb 1.04 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1j0i h ARG 339 CO 0.09 0.91 -0.23 0.93 -1.07 0.00 0.00 179.97 180.59 1j0i h GLU 340 N 0.80 0.92 0.18 0.04 5.08 -1.37 -1.54 114.58 118.69 1j0i h GLU 340 Ca 0.16 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1j0i h GLU 340 Cb 0.46 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1j0i h GLU 340 CO 0.02 1.07 -0.31 0.35 -1.00 0.00 0.00 179.01 179.14 1j0i h PHE 341 N 0.76 -0.84 0.14 4.33 3.57 -0.65 -1.02 116.94 123.24 1j0i h PHE 341 Ca 0.09 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1j0i h PHE 341 Cb 0.81 0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.86 1j0i h PHE 341 CO 0.06 -0.42 -0.32 -0.09 -2.23 0.00 0.00 178.31 175.30 1j0i h ARG 342 N -0.57 -0.54 -0.59 1.11 2.43 -0.91 0.11 114.38 115.42 1j0i h ARG 342 Ca 0.02 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.34 1j0i h ARG 342 Cb 0.57 0.12 -0.11 0.00 -0.42 0.00 0.00 29.97 30.13 1j0i h ARG 342 CO -0.14 -0.36 -0.16 1.96 -1.51 0.00 0.00 179.97 179.76 1j0i h GLN 343 N -0.56 -0.01 -0.13 0.20 4.20 -1.08 0.66 115.11 118.39 1j0i h GLN 343 Ca 0.03 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.61 1j0i h GLN 343 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1j0i h GLN 343 CO -0.18 -0.01 -0.49 0.93 -0.67 0.00 0.00 178.83 178.42 1j0i h GLU 344 N -0.01 0.35 -0.01 1.46 5.08 -0.88 -1.40 114.58 119.17 1j0i h GLU 344 Ca 0.28 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1j0i h GLU 344 Cb 0.44 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1j0i h GLU 344 CO -0.61 0.76 -0.03 0.28 -1.00 0.00 0.00 179.01 178.41 1j0i h VAL 345 N 0.28 1.53 0.00 3.13 2.07 0.56 -2.90 116.25 120.92 1j0i h VAL 345 Ca 0.01 -1.61 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 1j0i h VAL 345 Cb 0.96 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1j0i h VAL 345 CO 0.08 0.42 -0.11 0.11 0.02 0.00 0.00 177.57 178.10 1j0i h LYS 346 N -0.63 0.00 0.08 1.57 1.79 0.23 -0.59 116.57 119.01 1j0i h LYS 346 Ca -0.00 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.20 1j0i h LYS 346 Cb 0.71 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1j0i h LYS 346 CO 0.01 0.11 -1.13 0.00 -1.08 0.00 0.00 179.45 177.35 1j0i h ALA 347 N 1.89 0.16 -0.04 3.86 0.00 -1.31 -2.76 119.26 121.07 1j0i h ALA 347 Ca -0.00 -0.77 -0.21 0.00 0.00 0.00 0.00 54.91 53.93 1j0i h ALA 347 Cb 0.48 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1j0i h ALA 347 CO 0.01 0.80 -0.85 1.25 0.00 0.00 0.00 179.25 180.46 1j0i h LEU 348 N 0.22 0.52 -5.86 0.00 5.85 -1.24 -3.43 115.31 111.36 1j0i h LEU 348 Ca -0.14 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.21 1j0i h LEU 348 Cb 1.80 -0.16 -0.19 0.00 0.37 0.00 0.00 40.66 42.48 1j0i h LEU 348 CO 0.20 1.16 -0.34 -0.75 -0.34 0.00 0.00 178.44 178.37 1j0i s LYS 349 N -3.42 0.60 0.39 1.25 2.20 -0.27 -5.03 119.74 115.46 1j0i s LYS 349 Ca -0.06 -0.02 0.20 0.00 -0.36 0.00 0.00 55.97 55.74 1j0i s LYS 349 Cb 0.09 0.12 1.17 0.00 -1.51 0.00 0.00 37.83 37.70 1j0i s LYS 349 CO 0.86 -0.92 1.71 -1.35 -0.36 0.00 0.00 175.35 175.28 1j0i h PRO 350 N 6.96 0.31 0.00 4.03 0.11 -1.69 -0.98 132.00 140.75 1j0i h PRO 350 Ca 0.01 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1j0i h PRO 350 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1j0i h PRO 350 CO 0.07 0.20 0.00 -0.25 -0.21 0.00 0.00 178.00 177.81 1j0i n ASP 351 N -4.74 0.00 -4.68 -2.05 10.43 -1.26 -4.72 116.55 109.53 1j0i n ASP 351 Ca 0.30 -0.03 -0.42 0.00 2.57 0.00 0.00 54.79 57.21 1j0i n ASP 351 Cb 1.03 -0.20 -0.03 0.00 1.84 0.00 0.00 41.12 43.76 1j0i n ASP 351 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1j0i s VAL 352 N -2.41 3.89 -0.32 2.53 1.01 -0.37 -4.82 120.40 119.92 1j0i s VAL 352 Ca 0.13 1.22 -0.26 0.00 0.00 0.00 0.00 61.98 63.07 1j0i s VAL 352 Cb 0.08 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1j0i s VAL 352 CO 0.17 -0.03 0.93 -0.47 0.00 0.00 0.00 175.10 175.70 1j0i s TYR 353 N 2.68 3.17 -0.49 5.22 5.04 -0.77 -4.80 117.35 127.40 1j0i s TYR 353 Ca 0.62 0.98 -0.17 0.00 -2.44 0.00 0.00 57.07 56.06 1j0i s TYR 353 Cb -0.29 -3.47 0.07 0.00 0.35 0.00 0.00 41.96 38.63 1j0i s TYR 353 CO 0.24 -0.68 0.49 0.42 -1.34 0.00 0.00 175.55 174.68 1j0i s ILE 354 N 3.31 5.09 -0.23 3.14 1.01 -1.26 -1.35 121.20 130.91 1j0i s ILE 354 Ca 0.39 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 1j0i s ILE 354 Cb -0.13 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 1j0i s ILE 354 CO 0.14 -0.68 -0.00 -0.22 0.00 0.00 0.00 174.94 174.17 1j0i s LEU 355 N 2.02 3.10 -0.13 2.97 2.96 -0.09 -0.57 118.68 128.94 1j0i s LEU 355 Ca 0.08 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.61 1j0i s LEU 355 Cb -0.23 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 1j0i s LEU 355 CO 0.08 -0.01 0.11 -0.83 -1.32 0.00 0.00 176.35 174.38 1j0i s GLY 356 N 1.46 2.09 -0.76 7.98 0.00 0.28 0.73 107.32 119.09 1j0i s GLY 356 Ca 0.05 -0.68 -0.26 0.00 0.00 0.00 0.00 44.72 43.84 1j0i s GLY 356 CO -0.00 -0.31 1.25 1.85 0.00 0.00 0.00 173.10 175.88 1j0i s GLU 357 N -0.75 3.23 -0.16 2.90 2.12 0.39 -1.73 118.70 124.70 1j0i s GLU 357 Ca 0.13 -0.46 -0.04 0.00 0.36 0.00 0.00 54.97 54.96 1j0i s GLU 357 Cb -0.12 -4.33 0.05 0.00 0.26 0.00 0.00 34.13 29.99 1j0i s GLU 357 CO 0.03 -2.10 0.06 0.42 -0.54 0.00 0.00 175.26 173.13 1j0i s ILE 358 N 5.33 0.18 -1.03 -3.70 1.01 -1.26 -3.27 121.20 118.46 1j0i s ILE 358 Ca 0.34 -0.24 0.28 0.00 0.00 0.00 0.00 60.65 61.03 1j0i s ILE 358 Cb -0.08 -0.71 0.25 0.00 0.01 0.00 0.00 42.46 41.93 1j0i s ILE 358 CO 0.11 -0.17 1.89 0.79 0.00 0.00 0.00 174.94 177.56 1j0i n TRP 359 N 5.18 0.00 -4.57 3.97 7.02 -1.26 -4.40 117.44 123.38 1j0i n TRP 359 Ca -0.07 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.14 1j0i n TRP 359 Cb 0.48 -0.48 -0.05 0.00 -2.42 0.00 0.00 31.31 28.84 1j0i n TRP 359 CO 0.00 0.00 0.00 -2.39 -2.02 0.00 0.00 177.69 173.28 1j0i n HIS 360 N -1.48 0.85 -1.65 -5.99 1.44 -1.26 -4.18 115.22 102.94 1j0i n HIS 360 Ca 0.07 -2.08 -0.56 0.00 -2.01 0.00 0.00 57.72 53.15 1j0i n HIS 360 Cb 0.32 -0.29 -0.07 0.00 0.12 0.00 0.00 29.99 30.07 1j0i n HIS 360 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1j0i n ASP 361 N -1.30 1.90 -0.46 4.39 4.64 -1.26 -4.86 116.55 119.58 1j0i n ASP 361 Ca -0.16 1.10 0.07 0.00 -1.38 0.00 0.00 54.79 54.42 1j0i n ASP 361 Cb 0.53 -1.14 0.16 0.00 -1.04 0.00 0.00 41.12 39.63 1j0i n ASP 361 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1j0i n ALA 362 N 3.92 2.93 -0.27 -1.67 0.00 -1.26 -4.85 120.51 119.31 1j0i n ALA 362 Ca 0.23 -2.83 0.08 0.00 0.00 0.00 0.00 53.44 50.91 1j0i n ALA 362 Cb 0.14 -0.40 0.20 0.00 0.00 0.00 0.00 19.45 19.40 1j0i n ALA 362 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1j0i h MET 363 N 0.56 0.15 0.00 0.00 -1.53 -1.91 -0.86 114.93 111.33 1j0i h MET 363 Ca -0.02 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.23 1j0i h MET 363 Cb 1.10 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 32.11 1j0i h MET 363 CO 0.01 0.10 0.00 -1.00 0.14 0.00 0.00 176.91 176.16 1j0i h PRO 364 N 0.15 0.00 -0.04 0.39 0.13 -2.01 -0.82 132.00 129.81 1j0i h PRO 364 Ca 0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.59 1j0i h PRO 364 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1j0i h PRO 364 CO -0.65 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 178.03 1j0i n TRP 365 N -2.81 0.01 -1.91 1.56 8.01 -0.34 -4.48 117.44 117.48 1j0i n TRP 365 Ca -0.02 -0.01 -0.18 0.00 -1.31 0.00 0.00 57.50 55.98 1j0i n TRP 365 Cb 0.06 -0.00 0.06 0.00 -2.01 0.00 0.00 31.31 29.42 1j0i n TRP 365 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 1j0i n LEU 366 N 1.22 4.57 -0.56 -0.99 4.77 -0.31 -1.38 117.00 124.32 1j0i n LEU 366 Ca 0.13 -4.56 0.13 0.00 -0.03 0.00 0.00 56.01 51.67 1j0i n LEU 366 Cb 0.54 -0.40 0.25 0.00 -2.33 0.00 0.00 43.42 41.48 1j0i n LEU 366 CO 0.14 1.94 0.62 0.54 -1.33 0.00 0.00 177.39 179.30 1j0i n ARG 367 N -0.80 1.54 0.00 3.23 1.74 -1.24 -4.94 116.66 116.19 1j0i n ARG 367 Ca 0.40 -1.12 0.00 0.00 -0.77 0.00 0.00 57.85 56.35 1j0i n ARG 367 Cb 0.91 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.87 1j0i n ARG 367 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j0i n GLY 368 N 1.32 2.04 0.95 -0.13 0.00 -1.26 -4.60 105.19 103.51 1j0i n GLY 368 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1j0i n GLY 368 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j0i n ASP 369 N 0.00 2.92 0.00 1.61 5.75 -1.26 -4.80 116.55 120.77 1j0i n ASP 369 Ca 0.00 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1j0i n ASP 369 Cb 0.00 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1j0i n ASP 369 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j0i n GLN 370 N 1.24 0.00 -2.51 0.11 6.02 -1.26 -4.19 117.38 116.79 1j0i n GLN 370 Ca 0.16 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.88 1j0i n GLN 370 Cb 0.57 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.84 1j0i n GLN 370 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1j0i s PHE 371 N 0.82 3.42 -0.27 1.08 0.08 -0.48 -4.76 117.98 117.88 1j0i s PHE 371 Ca 0.00 0.74 0.22 0.00 0.12 0.00 0.00 56.93 58.02 1j0i s PHE 371 Cb 0.00 -2.51 -0.14 0.00 -0.57 0.00 0.00 43.02 39.81 1j0i s PHE 371 CO 0.00 -0.53 0.80 -0.25 -0.10 0.00 0.00 175.22 175.14 1j0i n ASP 372 N -2.42 0.45 -3.66 1.36 8.00 0.26 -4.58 116.55 115.97 1j0i n ASP 372 Ca 0.03 0.02 0.03 0.00 0.71 0.00 0.00 54.79 55.58 1j0i n ASP 372 Cb 0.56 1.18 0.00 0.00 -0.02 0.00 0.00 41.12 42.84 1j0i n ASP 372 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j0i s ALA 373 N -3.38 -2.50 0.11 2.24 0.00 -0.99 -4.73 121.76 112.52 1j0i s ALA 373 Ca -0.02 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.67 1j0i s ALA 373 Cb 0.13 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 1j0i s ALA 373 CO 0.84 -1.08 -0.04 0.14 0.00 0.00 0.00 175.76 175.62 1j0i s VAL 374 N -2.10 0.61 -0.33 0.00 -7.23 -1.26 -0.56 120.40 109.53 1j0i s VAL 374 Ca 0.18 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.13 1j0i s VAL 374 Cb 0.05 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 1j0i s VAL 374 CO -0.05 -0.76 1.64 -0.04 -0.31 0.00 0.00 175.10 175.58 1j0i s MET 375 N -3.88 3.51 -0.67 4.82 -1.94 -0.70 -3.17 119.30 117.27 1j0i s MET 375 Ca 0.15 1.33 -0.07 0.00 -1.71 0.00 0.00 55.69 55.39 1j0i s MET 375 Cb 0.06 -4.11 -0.06 0.00 2.01 0.00 0.00 34.83 32.73 1j0i s MET 375 CO -0.03 -1.64 1.83 -1.71 -0.01 0.00 0.00 175.02 173.46 1j0i n ASN 376 N 9.43 3.45 0.32 3.03 2.85 0.07 -4.50 115.26 129.90 1j0i n ASN 376 Ca 0.20 -2.30 0.21 0.00 -0.11 0.00 0.00 54.58 52.58 1j0i n ASN 376 Cb 0.47 -0.95 1.06 0.00 1.24 0.00 0.00 39.78 41.60 1j0i n ASN 376 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 1j0i h TYR 377 N 6.98 0.00 0.00 1.20 -1.99 -1.81 0.31 116.97 121.67 1j0i h TYR 377 Ca 0.37 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 61.02 1j0i h TYR 377 Cb 0.20 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 1j0i h TYR 377 CO 1.87 0.01 -0.36 -1.35 -0.00 0.00 0.00 178.16 178.32 1j0i h PRO 378 N 0.00 0.00 0.08 4.88 0.11 -1.83 -0.29 132.00 134.95 1j0i h PRO 378 Ca -0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1j0i h PRO 378 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1j0i h PRO 378 CO 0.00 0.36 -0.04 0.35 -0.21 0.00 0.00 178.00 178.46 1j0i h PHE 379 N 0.00 -0.10 -0.62 0.65 3.04 -1.32 -2.54 116.94 116.05 1j0i h PHE 379 Ca -0.00 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.06 1j0i h PHE 379 Cb 0.77 0.03 -0.12 0.00 2.56 0.00 0.00 35.95 39.19 1j0i h PHE 379 CO 0.00 0.38 -0.25 1.15 -2.02 0.00 0.00 178.31 177.57 1j0i h THR 380 N -0.65 0.25 -0.13 4.41 2.02 -1.02 -1.04 112.91 116.75 1j0i h THR 380 Ca -0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.20 1j0i h THR 380 Cb 0.53 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 1j0i h THR 380 CO 0.02 0.00 -0.10 -0.78 0.37 0.00 0.00 175.52 175.03 1j0i h ASP 381 N -0.09 -0.31 -0.48 4.18 3.58 -1.07 -1.49 116.42 120.74 1j0i h ASP 381 Ca 0.27 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.74 1j0i h ASP 381 Cb 0.52 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 1j0i h ASP 381 CO -0.68 -0.13 0.11 1.23 -2.88 0.00 0.00 179.24 176.88 1j0i h GLY 382 N -0.11 0.83 0.98 -0.78 0.00 -0.88 -1.94 103.07 101.18 1j0i h GLY 382 Ca 0.08 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 1j0i h GLY 382 CO -0.20 0.49 0.13 -2.08 0.00 0.00 0.00 176.54 174.89 1j0i h VAL 383 N 0.65 1.24 -0.47 4.60 2.07 -1.16 -2.44 116.25 120.74 1j0i h VAL 383 Ca 0.15 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 1j0i h VAL 383 Cb 0.35 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1j0i h VAL 383 CO 0.00 0.31 -0.05 -0.07 0.02 0.00 0.00 177.57 177.78 1j0i h LEU 384 N 0.70 0.79 -1.44 2.57 3.38 -1.23 0.06 115.31 120.14 1j0i h LEU 384 Ca 0.16 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1j0i h LEU 384 Cb 0.33 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1j0i h LEU 384 CO 0.00 0.89 -0.17 0.03 0.09 0.00 0.00 178.44 179.28 1j0i h ARG 385 N 0.75 0.15 0.01 1.13 3.08 -1.12 -1.23 114.38 117.15 1j0i h ARG 385 Ca 0.14 -0.04 -0.22 0.00 0.07 0.00 0.00 59.98 59.93 1j0i h ARG 385 Cb 0.52 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1j0i h ARG 385 CO 0.03 0.33 -1.20 0.35 -1.07 0.00 0.00 179.97 178.41 1j0i h PHE 386 N 0.14 0.02 0.20 3.04 3.57 -1.04 -0.23 116.94 122.64 1j0i h PHE 386 Ca 0.03 -0.02 -0.34 0.00 3.53 0.00 0.00 57.97 61.17 1j0i h PHE 386 Cb 0.39 -0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.15 1j0i h PHE 386 CO 0.00 1.47 -1.64 0.74 -2.23 0.00 0.00 178.31 176.65 1j0i h PHE 387 N -0.95 0.76 0.00 0.41 0.04 -1.07 -3.23 116.94 112.90 1j0i h PHE 387 Ca -0.33 -0.55 -0.23 0.00 2.80 0.00 0.00 57.97 59.66 1j0i h PHE 387 Cb 1.31 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 39.40 1j0i h PHE 387 CO 0.11 1.60 -1.25 0.00 -0.60 0.00 0.00 178.31 178.17 1j0i n ALA 388 N -2.79 0.78 0.48 2.45 0.00 -0.60 -4.54 120.51 116.29 1j0i n ALA 388 Ca -0.21 -0.49 0.11 0.00 0.00 0.00 0.00 53.44 52.85 1j0i n ALA 388 Cb 1.08 -0.53 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 1j0i n ALA 388 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j0i n LYS 389 N -4.44 0.34 -4.00 0.00 5.02 -0.57 -4.54 118.16 109.98 1j0i n LYS 389 Ca -0.32 -0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 55.66 1j0i n LYS 389 Cb 0.67 -1.60 -0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1j0i n LYS 389 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1j0i n GLU 390 N -2.03 -4.07 -0.09 1.97 1.02 -0.94 -4.86 120.64 111.64 1j0i n GLU 390 Ca 0.01 0.47 0.12 0.00 -0.02 0.00 0.00 57.16 57.74 1j0i n GLU 390 Cb 0.46 -5.06 0.23 0.00 -0.02 0.00 0.00 31.44 27.05 1j0i n GLU 390 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1j0i n GLU 391 N -4.46 2.25 -3.99 3.49 0.28 -0.14 -4.91 120.64 113.15 1j0i n GLU 391 Ca -0.08 -1.85 -0.09 0.00 -0.16 0.00 0.00 57.16 54.98 1j0i n GLU 391 Cb 0.58 -1.48 -0.10 0.00 1.43 0.00 0.00 31.44 31.87 1j0i n GLU 391 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 1j0i s ILE 392 N -1.78 0.13 0.96 3.84 -4.36 -1.23 -5.05 121.20 113.72 1j0i s ILE 392 Ca 0.34 -1.11 -0.15 0.00 -0.26 0.00 0.00 60.65 59.47 1j0i s ILE 392 Cb 0.21 -0.64 0.18 0.00 1.25 0.00 0.00 42.46 43.45 1j0i s ILE 392 CO 0.31 -0.61 1.21 -0.94 0.24 0.00 0.00 174.94 175.14 1j0i s SER 393 N -1.87 3.12 0.32 4.36 1.04 -1.26 -4.72 113.70 114.68 1j0i s SER 393 Ca -0.09 0.61 0.07 0.00 0.48 0.00 0.00 55.95 57.01 1j0i s SER 393 Cb -0.05 -0.91 0.54 0.00 0.10 0.00 0.00 66.02 65.71 1j0i s SER 393 CO -0.03 -2.76 1.77 0.00 0.98 0.00 0.00 173.24 173.20 1j0i h ALA 394 N -1.65 1.23 -0.06 5.32 0.00 -1.54 -0.05 119.26 122.50 1j0i h ALA 394 Ca -0.46 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 1j0i h ALA 394 Cb 1.29 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1j0i h ALA 394 CO 0.49 0.51 0.01 -0.09 0.00 0.00 0.00 179.25 180.18 1j0i h ARG 395 N 0.26 0.10 -0.31 0.00 2.43 -1.84 -1.24 114.38 113.77 1j0i h ARG 395 Ca 0.04 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 1j0i h ARG 395 Cb 0.65 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1j0i h ARG 395 CO 0.05 0.30 -0.30 1.96 -1.51 0.00 0.00 179.97 180.47 1j0i h GLN 396 N -0.13 0.66 -0.53 0.20 4.20 -1.81 -2.21 115.11 115.48 1j0i h GLN 396 Ca 0.02 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.41 1j0i h GLN 396 Cb 0.25 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1j0i h GLN 396 CO 0.00 0.88 0.20 0.35 -0.67 0.00 0.00 178.83 179.59 1j0i h PHE 397 N 0.56 0.82 -0.62 2.96 3.57 -0.88 -0.80 116.94 122.55 1j0i h PHE 397 Ca 0.07 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1j0i h PHE 397 Cb 0.79 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1j0i h PHE 397 CO 0.04 0.68 0.31 0.00 -2.23 0.00 0.00 178.31 177.11 1j0i h ALA 398 N 1.05 0.79 -0.68 2.41 0.00 -1.11 -0.72 119.26 121.00 1j0i h ALA 398 Ca 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1j0i h ALA 398 Cb 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1j0i h ALA 398 CO -0.01 0.34 0.42 -0.91 0.00 0.00 0.00 179.25 179.08 1j0i h ASN 399 N 0.84 0.81 -0.50 0.00 2.35 -1.00 -0.71 115.58 117.38 1j0i h ASN 399 Ca 0.21 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.80 1j0i h ASN 399 Cb 0.09 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1j0i h ASN 399 CO -0.03 0.63 -0.12 -0.61 -1.65 0.00 0.00 177.43 175.65 1j0i h GLN 400 N 0.93 0.96 -0.70 0.81 5.75 -0.81 0.54 115.11 122.58 1j0i h GLN 400 Ca 0.25 -0.37 -0.06 0.00 -0.15 0.00 0.00 58.65 58.32 1j0i h GLN 400 Cb -0.04 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.42 1j0i h GLN 400 CO -0.05 1.03 0.19 0.52 -2.65 0.00 0.00 178.83 177.87 1j0i h MET 401 N 0.82 1.11 -0.27 1.69 2.86 -0.84 -1.32 114.93 118.98 1j0i h MET 401 Ca 0.13 -0.26 -0.15 0.00 -2.06 0.00 0.00 59.70 57.36 1j0i h MET 401 Cb 0.68 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1j0i h MET 401 CO 0.05 0.97 -0.43 0.52 1.06 0.00 0.00 176.91 179.08 1j0i h MET 402 N 1.05 0.66 0.25 1.72 2.86 -0.95 -1.83 114.93 118.70 1j0i h MET 402 Ca 0.22 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1j0i h MET 402 Cb 0.35 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1j0i h MET 402 CO -0.00 0.97 -0.12 1.25 1.06 0.00 0.00 176.91 180.06 1j0i h HIS 403 N 0.54 -0.32 -0.34 -0.22 6.17 -0.63 -0.55 115.15 119.81 1j0i h HIS 403 Ca 0.04 -0.01 -0.08 0.00 0.71 0.00 0.00 60.37 61.03 1j0i h HIS 403 Cb 0.97 0.10 -0.02 0.00 2.52 0.00 0.00 27.41 30.98 1j0i h HIS 403 CO 0.05 -0.10 -0.12 -0.39 0.71 0.00 0.00 177.93 178.08 1j0i h VAL 404 N -0.49 1.24 -0.39 5.26 -1.51 -1.25 -2.64 116.25 116.48 1j0i h VAL 404 Ca -0.03 -1.08 -0.11 0.00 -1.23 0.00 0.00 66.70 64.25 1j0i h VAL 404 Cb 0.36 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 1j0i h VAL 404 CO 0.06 0.36 -0.18 -0.07 -1.23 0.00 0.00 177.57 176.50 1j0i h LEU 405 N 0.54 0.83 0.00 4.19 3.38 -1.25 -3.04 115.31 119.96 1j0i h LEU 405 Ca 0.10 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1j0i h LEU 405 Cb 0.53 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1j0i h LEU 405 CO 0.03 1.05 0.00 1.41 0.09 0.00 0.00 178.44 181.02 1j0i n HIS 406 N -4.26 0.00 1.59 1.13 8.25 -0.22 -2.63 115.22 119.08 1j0i n HIS 406 Ca -0.02 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.59 1j0i n HIS 406 Cb 0.42 -0.40 0.77 0.00 1.12 0.00 0.00 29.99 31.89 1j0i n HIS 406 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1j0i n SER 407 N -1.40 0.18 -4.19 0.41 3.41 -1.01 -4.82 113.62 106.21 1j0i n SER 407 Ca 0.08 -0.55 -0.14 0.00 -0.26 0.00 0.00 58.87 57.99 1j0i n SER 407 Cb 0.24 -0.14 -0.11 0.00 -0.26 0.00 0.00 64.21 63.94 1j0i n SER 407 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1j0i s TYR 408 N -2.36 1.10 0.66 7.33 2.02 -1.08 -4.56 117.35 120.46 1j0i s TYR 408 Ca 0.35 -0.68 -0.16 0.00 -0.37 0.00 0.00 57.07 56.21 1j0i s TYR 408 Cb 0.21 -0.59 0.00 0.00 -0.40 0.00 0.00 41.96 41.18 1j0i s TYR 408 CO 0.43 0.01 1.16 -2.14 -1.57 0.00 0.00 175.55 173.45 1j0i s PRO 409 N -2.96 2.64 0.21 -1.71 0.02 -1.26 -4.85 135.00 127.09 1j0i s PRO 409 Ca 0.07 1.62 -0.09 0.00 0.02 0.00 0.00 61.00 62.62 1j0i s PRO 409 Cb -0.02 -1.91 0.26 0.00 0.02 0.00 0.00 34.50 32.86 1j0i s PRO 409 CO 0.00 -1.42 1.77 -0.91 -0.33 0.00 0.00 177.00 176.11 1j0i h ASN 410 N 0.17 0.37 0.67 2.53 4.21 -1.91 -1.61 115.58 120.01 1j0i h ASN 410 Ca -0.48 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.09 1j0i h ASN 410 Cb 1.27 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.47 1j0i h ASN 410 CO 0.53 0.23 0.00 -0.55 -1.29 0.00 0.00 177.43 176.35 1j0i h ASN 411 N 0.52 0.00 0.07 5.81 7.08 -1.92 -2.51 115.58 124.64 1j0i h ASN 411 Ca 0.30 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 53.39 1j0i h ASN 411 Cb 0.30 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.56 1j0i h ASN 411 CO -0.25 0.00 -0.56 0.58 -2.08 0.00 0.00 177.43 175.12 1j0i h VAL 412 N 0.00 1.55 0.00 6.14 2.07 -1.67 -3.26 116.25 121.08 1j0i h VAL 412 Ca 0.00 -2.34 -0.00 0.00 0.82 0.00 0.00 66.70 65.18 1j0i h VAL 412 Cb 0.34 3.07 -0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1j0i h VAL 412 CO 0.00 0.65 -0.00 0.78 0.02 0.00 0.00 177.57 179.02 1j0i h ASN 413 N -0.45 0.00 1.36 0.57 2.35 -1.16 -2.16 115.58 116.09 1j0i h ASN 413 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1j0i h ASN 413 Cb 1.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.76 1j0i h ASN 413 CO 0.11 0.00 0.00 -0.33 -1.65 0.00 0.00 177.43 175.56 1j0i h GLU 414 N 0.00 0.00 -0.01 0.81 5.08 -1.50 -3.20 114.58 115.76 1j0i h GLU 414 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1j0i h GLU 414 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1j0i h GLU 414 CO 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 179.01 177.95 1j0i n ALA 415 N -1.88 2.58 -1.68 3.43 0.00 -0.83 -4.22 120.51 117.91 1j0i n ALA 415 Ca 0.04 -0.53 -0.44 0.00 0.00 0.00 0.00 53.44 52.51 1j0i n ALA 415 Cb 0.39 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 1j0i n ALA 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0i n ALA 416 N 0.31 1.25 -2.72 0.00 0.00 -1.10 -4.50 120.51 113.74 1j0i n ALA 416 Ca 0.05 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 1j0i n ALA 416 Cb 0.23 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.37 1j0i n ALA 416 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1j0i s PHE 417 N -0.22 2.67 -0.53 0.00 5.36 -1.19 -0.40 117.98 123.67 1j0i s PHE 417 Ca 0.66 -0.76 -0.21 0.00 -0.96 0.00 0.00 56.93 55.66 1j0i s PHE 417 Cb -0.62 -4.48 0.05 0.00 -0.34 0.00 0.00 43.02 37.63 1j0i s PHE 417 CO 0.52 -1.78 0.76 -0.80 -1.46 0.00 0.00 175.22 172.45 1j0i s ASN 418 N 4.08 6.26 0.30 6.13 0.01 -0.99 -0.75 114.94 129.97 1j0i s ASN 418 Ca 0.35 -0.73 0.09 0.00 -0.71 0.00 0.00 52.86 51.86 1j0i s ASN 418 Cb -0.07 -2.35 -0.05 0.00 0.41 0.00 0.00 41.25 39.20 1j0i s ASN 418 CO -0.00 -1.05 0.00 -1.48 -1.51 0.00 0.00 177.10 173.06 1j0i s LEU 419 N 3.17 3.07 -0.02 0.60 2.34 -1.26 -1.41 118.68 125.18 1j0i s LEU 419 Ca 0.21 -0.81 0.13 0.00 0.06 0.00 0.00 54.13 53.72 1j0i s LEU 419 Cb -0.17 -1.54 -0.20 0.00 -0.56 0.00 0.00 46.19 43.72 1j0i s LEU 419 CO 0.14 -0.11 0.32 0.18 -1.06 0.00 0.00 176.35 175.82 1j0i n LEU 420 N -0.92 0.07 -3.70 1.48 4.77 -1.26 -3.94 117.00 113.50 1j0i n LEU 420 Ca -0.05 -0.06 0.01 0.00 -0.03 0.00 0.00 56.01 55.89 1j0i n LEU 420 Cb 0.60 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1j0i n LEU 420 CO 0.41 0.02 1.05 -0.83 -1.33 0.00 0.00 177.39 176.71 1j0i s GLY 421 N -3.41 -0.34 0.00 -0.72 0.00 -1.26 -4.84 107.32 96.75 1j0i s GLY 421 Ca -0.04 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.21 1j0i s GLY 421 CO 0.56 1.12 0.00 -1.14 0.00 0.00 0.00 173.10 173.63 1j0i n SER 422 N -0.61 0.00 0.00 1.64 3.41 -1.26 -4.47 113.62 112.32 1j0i n SER 422 Ca -0.06 -0.96 0.07 0.00 -0.26 0.00 0.00 58.87 57.66 1j0i n SER 422 Cb 0.62 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.87 1j0i n SER 422 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j0i n HIS 423 N 0.00 0.00 -0.30 7.33 1.44 -1.26 -2.29 115.22 120.14 1j0i n HIS 423 Ca 0.00 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.78 1j0i n HIS 423 Cb 0.00 -0.49 0.21 0.00 0.12 0.00 0.00 29.99 29.83 1j0i n HIS 423 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1j0i n ASP 424 N -1.49 3.35 -4.28 4.39 8.00 -1.26 -4.42 116.55 120.84 1j0i n ASP 424 Ca 0.04 -2.09 -0.15 0.00 0.71 0.00 0.00 54.79 53.30 1j0i n ASP 424 Cb 0.16 -0.34 -0.10 0.00 -0.02 0.00 0.00 41.12 40.83 1j0i n ASP 424 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1j0i s THR 425 N -1.17 0.55 0.77 -3.53 -4.23 -0.97 -4.77 115.64 102.29 1j0i s THR 425 Ca 0.32 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.73 1j0i s THR 425 Cb 0.18 -2.42 0.05 0.00 1.34 0.00 0.00 72.50 71.65 1j0i s THR 425 CO 0.20 -0.19 1.09 -0.94 -0.54 0.00 0.00 174.62 174.24 1j0i s SER 426 N -3.24 4.79 0.28 3.99 1.04 -1.26 -4.32 113.70 114.98 1j0i s SER 426 Ca 0.32 1.29 -0.29 0.00 0.48 0.00 0.00 55.95 57.75 1j0i s SER 426 Cb 0.07 -2.05 -0.10 0.00 0.10 0.00 0.00 66.02 64.05 1j0i s SER 426 CO 0.10 -1.78 1.28 -0.13 0.98 0.00 0.00 173.24 173.69 1j0i s ARG 427 N -5.20 4.40 0.26 4.02 1.81 -0.32 -4.67 118.95 119.26 1j0i s ARG 427 Ca 0.60 2.11 -0.04 0.00 -1.72 0.00 0.00 55.73 56.69 1j0i s ARG 427 Cb -0.14 -3.13 0.35 0.00 -0.45 0.00 0.00 34.95 31.59 1j0i s ARG 427 CO 0.54 -0.16 1.91 -0.84 -0.68 0.00 0.00 175.30 176.07 1j0i h ILE 428 N 3.27 1.17 -0.22 1.52 3.07 -1.88 0.63 117.51 125.08 1j0i h ILE 428 Ca -0.47 -0.43 -0.02 0.00 1.55 0.00 0.00 64.86 65.48 1j0i h ILE 428 Cb 1.22 -0.19 -0.01 0.00 -0.27 0.00 0.00 36.82 37.56 1j0i h ILE 428 CO 0.70 0.23 0.03 0.25 -1.05 0.00 0.00 178.15 178.30 1j0i h LEU 429 N 1.25 0.28 -0.19 0.16 5.85 -1.92 0.33 115.31 121.08 1j0i h LEU 429 Ca 0.40 -0.03 -0.21 0.00 0.84 0.00 0.00 57.88 58.87 1j0i h LEU 429 Cb 0.01 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1j0i h LEU 429 CO -0.12 0.32 -0.95 0.74 -0.34 0.00 0.00 178.44 178.09 1j0i h THR 430 N 0.31 1.51 -0.03 1.05 2.02 -1.42 0.45 112.91 116.80 1j0i h THR 430 Ca 0.07 -2.75 -0.11 0.00 0.77 0.00 0.00 66.41 64.39 1j0i h THR 430 Cb 0.17 2.57 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1j0i h THR 430 CO 0.00 0.80 -0.51 0.58 0.37 0.00 0.00 175.52 176.76 1j0i h VAL 431 N 0.10 1.36 -0.05 3.16 2.07 0.24 -1.70 116.25 121.43 1j0i h VAL 431 Ca -0.06 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.71 1j0i h VAL 431 Cb 1.60 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1j0i h VAL 431 CO 0.15 0.51 0.00 0.00 0.02 0.00 0.00 177.57 178.24 1j0i n GLY 433 N 0.82 0.32 1.76 0.00 0.00 -0.64 -2.34 105.19 105.12 1j0i n GLY 433 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1j0i n GLY 433 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0i n GLY 434 N -1.01 0.78 3.50 -0.02 0.00 0.15 -5.00 105.19 103.59 1j0i n GLY 434 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1j0i n GLY 434 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j0i s ASP 435 N -2.73 6.25 0.45 1.61 -1.08 -0.99 -4.88 116.67 115.30 1j0i s ASP 435 Ca 0.00 -0.64 0.14 0.00 -0.52 0.00 0.00 52.55 51.53 1j0i s ASP 435 Cb 0.00 -2.44 1.07 0.00 -1.46 0.00 0.00 42.92 40.08 1j0i s ASP 435 CO 0.00 -1.40 2.02 0.40 0.52 0.00 0.00 175.17 176.71 1j0i h ILE 436 N 6.00 0.94 -1.00 4.11 1.08 -1.92 -1.87 117.51 124.85 1j0i h ILE 436 Ca -0.28 -0.12 0.04 0.00 -0.39 0.00 0.00 64.86 64.12 1j0i h ILE 436 Cb 1.07 0.57 -0.06 0.00 -3.07 0.00 0.00 36.82 35.33 1j0i h ILE 436 CO 1.15 0.06 0.66 0.03 -0.69 0.00 0.00 178.15 179.36 1j0i h ARG 437 N 0.34 1.22 -0.30 2.37 3.08 -1.96 -0.97 114.38 118.15 1j0i h ARG 437 Ca 0.21 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.08 1j0i h ARG 437 Cb 0.39 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1j0i h ARG 437 CO -0.05 0.81 -0.24 0.87 -1.07 0.00 0.00 179.97 180.28 1j0i h LYS 438 N 1.25 0.70 -0.24 0.04 1.57 -1.66 -2.84 116.57 115.39 1j0i h LYS 438 Ca 0.41 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1j0i h LYS 438 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1j0i h LYS 438 CO -0.13 0.96 0.10 0.28 -0.57 0.00 0.00 179.45 180.08 1j0i h VAL 439 N 0.45 1.10 -0.55 0.50 2.07 -1.25 -1.11 116.25 117.45 1j0i h VAL 439 Ca 0.06 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 1j0i h VAL 439 Cb 0.80 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1j0i h VAL 439 CO 0.06 0.11 0.04 0.11 0.02 0.00 0.00 177.57 177.92 1j0i h LYS 440 N 0.34 0.91 -0.29 1.57 1.57 -0.97 -1.42 116.57 118.28 1j0i h LYS 440 Ca 0.09 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 1j0i h LYS 440 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1j0i h LYS 440 CO -0.01 0.88 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.66 1j0i h LEU 441 N 0.86 0.52 -0.40 2.94 3.38 -1.03 -0.17 115.31 121.40 1j0i h LEU 441 Ca 0.17 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.90 1j0i h LEU 441 Cb 0.45 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 1j0i h LEU 441 CO 0.02 0.72 -0.16 -0.07 0.09 0.00 0.00 178.44 179.03 1j0i h LEU 442 N 0.30 -0.56 -1.27 1.67 3.38 -0.94 0.62 115.31 118.51 1j0i h LEU 442 Ca 0.08 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1j0i h LEU 442 Cb 0.46 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1j0i h LEU 442 CO 0.02 -0.20 -0.13 -0.26 0.09 0.00 0.00 178.44 177.97 1j0i h PHE 443 N -0.08 0.37 -0.22 1.13 0.05 -1.13 -0.98 116.94 116.07 1j0i h PHE 443 Ca 0.20 -0.05 -0.03 0.00 3.82 0.00 0.00 57.97 61.91 1j0i h PHE 443 Cb 0.38 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 38.22 1j0i h PHE 443 CO -0.41 0.47 0.04 1.25 -0.18 0.00 0.00 178.31 179.48 1j0i h LEU 444 N 0.33 0.34 -0.27 1.54 5.85 0.80 -1.79 115.31 122.11 1j0i h LEU 444 Ca 0.06 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 1j0i h LEU 444 Cb 0.42 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1j0i h LEU 444 CO 0.02 0.51 -0.19 0.15 -0.34 0.00 0.00 178.44 178.60 1j0i h PHE 445 N 0.16 0.71 -0.32 1.25 3.57 -0.74 -2.72 116.94 118.85 1j0i h PHE 445 Ca 0.07 -0.19 0.01 0.00 3.53 0.00 0.00 57.97 61.38 1j0i h PHE 445 Cb 0.31 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1j0i h PHE 445 CO 0.02 0.88 0.20 0.37 -2.23 0.00 0.00 178.31 177.56 1j0i h GLN 446 N 0.34 0.40 0.00 1.11 4.15 -1.18 -2.64 115.11 117.29 1j0i h GLN 446 Ca 0.05 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1j0i h GLN 446 Cb 0.73 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1j0i h GLN 446 CO 0.05 0.27 0.00 1.28 -1.93 0.00 0.00 178.83 178.50 1j0i n LEU 447 N -4.88 0.00 -0.60 -2.39 4.77 -0.68 -2.55 117.00 110.66 1j0i n LEU 447 Ca -0.01 0.17 0.05 0.00 -0.03 0.00 0.00 56.01 56.20 1j0i n LEU 447 Cb 0.03 -0.17 0.14 0.00 -2.33 0.00 0.00 43.42 41.09 1j0i n LEU 447 CO 0.34 -0.01 0.61 0.35 -1.33 0.00 0.00 177.39 177.35 1j0i n THR 448 N -1.17 0.90 -3.89 -5.08 -2.24 -1.03 -4.63 114.28 97.13 1j0i n THR 448 Ca 0.17 -0.95 -0.35 0.00 -2.27 0.00 0.00 64.05 60.65 1j0i n THR 448 Cb 0.18 0.57 -0.08 0.00 -2.10 0.00 0.00 70.33 68.91 1j0i n THR 448 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1j0i s PHE 449 N -0.99 3.40 0.23 4.78 5.36 -1.02 -4.70 117.98 125.04 1j0i s PHE 449 Ca 0.22 0.30 -0.32 0.00 -0.96 0.00 0.00 56.93 56.17 1j0i s PHE 449 Cb 0.11 -2.05 -0.12 0.00 -0.34 0.00 0.00 43.02 40.62 1j0i s PHE 449 CO 0.15 0.38 1.68 2.41 -1.46 0.00 0.00 175.22 178.38 1j0i n THR 450 N 3.02 0.26 -0.39 0.12 -1.04 -1.19 -4.66 114.28 110.40 1j0i n THR 450 Ca -0.17 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 1j0i n THR 450 Cb 0.53 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 1j0i n THR 450 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j0i n GLY 451 N 3.46 0.62 2.73 3.41 0.00 -0.93 -4.84 105.19 109.63 1j0i n GLY 451 Ca 0.14 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 1j0i n GLY 451 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j0i s SER 452 N -4.00 3.62 0.82 1.61 0.15 0.47 -4.66 113.70 111.71 1j0i s SER 452 Ca 0.00 -3.31 -0.12 0.00 0.70 0.00 0.00 55.95 53.22 1j0i s SER 452 Cb 0.00 -1.18 0.09 0.00 -1.71 0.00 0.00 66.02 63.22 1j0i s SER 452 CO 0.00 -0.16 1.18 -2.16 1.20 0.00 0.00 173.24 173.30 1j0i s PRO 453 N -0.56 1.61 -0.02 5.44 0.04 -1.26 -2.35 135.00 137.90 1j0i s PRO 453 Ca 0.25 1.63 0.01 0.00 0.04 0.00 0.00 61.00 62.93 1j0i s PRO 453 Cb -0.08 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.69 1j0i s PRO 453 CO -0.12 -2.21 -0.01 0.00 0.04 0.00 0.00 177.00 174.70 1j0i s ILE 455 N 0.72 4.59 -0.11 0.00 1.01 0.60 -4.15 121.20 123.86 1j0i s ILE 455 Ca -0.07 -0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.18 1j0i s ILE 455 Cb -0.10 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 1j0i s ILE 455 CO -0.01 0.45 1.04 -0.47 0.00 0.00 0.00 174.94 175.95 1j0i s TYR 456 N 0.51 3.45 0.02 3.97 5.04 -1.26 0.51 117.35 129.59 1j0i s TYR 456 Ca 0.02 1.52 -0.38 0.00 -2.44 0.00 0.00 57.07 55.79 1j0i s TYR 456 Cb -0.13 -3.23 -0.18 0.00 0.35 0.00 0.00 41.96 38.77 1j0i s TYR 456 CO 0.01 -0.42 1.30 2.48 -1.34 0.00 0.00 175.55 177.59 1j0i n TYR 457 N 5.17 1.32 0.00 4.97 4.11 -0.46 -1.12 117.16 131.15 1j0i n TYR 457 Ca 0.09 0.76 0.00 0.00 -0.00 0.00 0.00 57.90 58.75 1j0i n TYR 457 Cb 0.48 -2.27 0.00 0.00 -0.00 0.00 0.00 39.34 37.55 1j0i n TYR 457 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1j0i n GLY 458 N 2.40 3.33 0.20 -7.48 0.00 -1.26 -4.89 105.19 97.49 1j0i n GLY 458 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.27 1j0i n GLY 458 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j0i h ASP 459 N 0.00 0.00 1.07 1.61 3.32 -1.45 -0.90 116.42 120.07 1j0i h ASP 459 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1j0i h ASP 459 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1j0i h ASP 459 CO 0.00 0.32 0.00 1.05 -1.72 0.00 0.00 179.24 178.89 1j0i h GLU 460 N 0.00 0.00 -0.05 3.56 9.09 -1.91 -3.03 114.58 122.24 1j0i h GLU 460 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1j0i h GLU 460 Cb 0.64 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.74 1j0i h GLU 460 CO 0.04 0.00 0.00 0.44 0.05 0.00 0.00 179.01 179.54 1j0i n ILE 461 N -2.61 1.66 -2.50 -1.06 -5.35 -1.00 -1.15 119.36 107.35 1j0i n ILE 461 Ca 0.02 -1.83 -0.07 0.00 -0.27 0.00 0.00 62.75 60.61 1j0i n ILE 461 Cb 0.31 -0.01 0.01 0.00 -1.74 0.00 0.00 39.64 38.21 1j0i n ILE 461 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j0i n GLY 462 N -0.98 0.31 3.77 3.28 0.00 -1.03 -0.49 105.19 110.05 1j0i n GLY 462 Ca 0.12 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1j0i n GLY 462 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1j0i s MET 463 N -4.89 3.02 0.45 1.61 -1.94 -0.38 -4.90 119.30 112.28 1j0i s MET 463 Ca 0.09 1.51 0.05 0.00 -1.71 0.00 0.00 55.69 55.63 1j0i s MET 463 Cb -0.04 -1.97 -0.05 0.00 2.01 0.00 0.00 34.83 34.78 1j0i s MET 463 CO 0.12 -1.10 0.03 0.95 -0.01 0.00 0.00 175.02 175.01 1j0i s THR 464 N -2.06 1.68 0.00 2.05 -4.23 -1.26 -4.59 115.64 107.23 1j0i s THR 464 Ca 0.70 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1j0i s THR 464 Cb -0.23 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1j0i s THR 464 CO 0.35 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 1j0i n GLY 465 N -1.13 4.88 0.00 3.99 0.00 -1.26 -4.80 105.19 106.87 1j0i n GLY 465 Ca -0.10 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1j0i n GLY 465 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0i n GLY 466 N -1.98 -0.26 3.80 -0.02 0.00 -1.26 -1.18 105.19 104.30 1j0i n GLY 466 Ca 0.00 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 1j0i n GLY 466 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j0i s ASN 467 N -1.16 4.32 -0.03 1.61 3.84 -1.26 -2.14 114.94 120.12 1j0i s ASN 467 Ca 0.00 1.23 -0.20 0.00 0.21 0.00 0.00 52.86 54.09 1j0i s ASN 467 Cb 0.00 -1.93 -0.10 0.00 -0.55 0.00 0.00 41.25 38.67 1j0i s ASN 467 CO 0.00 -2.07 0.57 -0.67 -2.79 0.00 0.00 177.10 172.14 1j0i n ASP 468 N -3.49 0.06 -0.40 -4.21 4.64 -1.26 -1.90 116.55 110.00 1j0i n ASP 468 Ca 0.07 0.58 0.13 0.00 -1.38 0.00 0.00 54.79 54.19 1j0i n ASP 468 Cb 0.57 -0.46 0.31 0.00 -1.04 0.00 0.00 41.12 40.50 1j0i n ASP 468 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1j0i n PRO 469 N 0.89 1.19 0.19 -0.67 -0.04 -1.26 -4.89 135.00 130.41 1j0i n PRO 469 Ca 0.11 -0.80 0.18 0.00 -0.04 0.00 0.00 63.50 62.95 1j0i n PRO 469 Cb 0.03 -1.48 0.82 0.00 -0.04 0.00 0.00 33.50 32.83 1j0i n PRO 469 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1j0i h GLU 470 N 1.95 0.00 0.00 0.54 4.81 -1.58 0.37 114.58 120.67 1j0i h GLU 470 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1j0i h GLU 470 Cb 0.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1j0i h GLU 470 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 1j0i n ARG 472 N -1.06 2.63 -1.04 0.00 1.74 0.13 -4.92 116.66 114.13 1j0i n ARG 472 Ca 0.22 -3.06 -0.34 0.00 -0.77 0.00 0.00 57.85 53.89 1j0i n ARG 472 Cb 0.14 -2.00 0.11 0.00 -1.02 0.00 0.00 32.46 29.69 1j0i n ARG 472 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1j0i n LYS 473 N -0.76 0.06 -1.91 5.56 5.02 -1.24 -4.83 118.16 120.05 1j0i n LYS 473 Ca 0.38 0.08 -0.41 0.00 -2.02 0.00 0.00 58.31 56.35 1j0i n LYS 473 Cb 1.23 -2.14 -0.01 0.00 -0.02 0.00 0.00 35.03 34.09 1j0i n LYS 473 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j0i n MET 475 N 0.69 2.00 -2.82 0.00 1.56 0.10 -4.88 117.12 113.78 1j0i n MET 475 Ca 0.01 0.72 -0.43 0.00 -0.27 0.00 0.00 57.70 57.73 1j0i n MET 475 Cb 0.40 -2.43 -0.04 0.00 2.15 0.00 0.00 33.22 33.30 1j0i n MET 475 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1j0i s VAL 476 N 0.47 4.50 -0.57 1.12 1.01 -1.26 -4.89 120.40 120.78 1j0i s VAL 476 Ca 0.75 0.84 0.19 0.00 0.00 0.00 0.00 61.98 63.76 1j0i s VAL 476 Cb -0.69 -4.41 -0.24 0.00 0.00 0.00 0.00 36.38 31.04 1j0i s VAL 476 CO 0.43 -0.77 0.66 0.79 0.00 0.00 0.00 175.10 176.22 1j0i n TRP 477 N 7.08 0.00 -2.14 5.22 5.03 -1.26 -4.84 117.44 126.53 1j0i n TRP 477 Ca 0.06 0.00 -0.43 0.00 3.03 0.00 0.00 57.50 60.17 1j0i n TRP 477 Cb 0.48 -0.16 -0.02 0.00 -1.03 0.00 0.00 31.31 30.58 1j0i n TRP 477 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 1j0i s ASP 478 N -3.30 6.33 0.35 -0.99 2.15 -1.26 -4.90 116.67 115.04 1j0i s ASP 478 Ca 0.02 1.47 0.13 0.00 0.43 0.00 0.00 52.55 54.60 1j0i s ASP 478 Cb 0.14 -2.53 0.98 0.00 -0.30 0.00 0.00 42.92 41.20 1j0i s ASP 478 CO 0.78 -1.33 1.73 -0.65 -0.17 0.00 0.00 175.17 175.54 1j0i h PRO 479 N 10.93 0.48 0.00 4.34 0.11 -1.94 0.38 132.00 146.31 1j0i h PRO 479 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1j0i h PRO 479 Cb 1.15 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1j0i h PRO 479 CO 1.02 0.32 0.00 -1.33 -0.21 0.00 0.00 178.00 177.79 1j0i n MET 480 N -4.82 0.35 -0.00 1.05 2.81 -1.26 -2.82 117.12 112.43 1j0i n MET 480 Ca 0.27 0.06 0.08 0.00 -1.81 0.00 0.00 57.70 56.30 1j0i n MET 480 Cb 0.82 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.72 1j0i n MET 480 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1j0i n GLN 481 N -1.28 1.10 -2.97 0.03 1.13 0.13 -4.96 117.38 110.56 1j0i n GLN 481 Ca 0.11 -0.08 -0.36 0.00 -1.94 0.00 0.00 57.00 54.73 1j0i n GLN 481 Cb 0.19 -1.31 -0.06 0.00 0.11 0.00 0.00 30.24 29.16 1j0i n GLN 481 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1j0i s GLN 482 N -2.82 4.34 -0.57 -1.09 -0.21 -0.97 -4.98 119.66 113.35 1j0i s GLN 482 Ca -0.01 1.03 -0.23 0.00 0.02 0.00 0.00 55.36 56.17 1j0i s GLN 482 Cb 0.11 -2.74 0.05 0.00 1.00 0.00 0.00 33.01 31.43 1j0i s GLN 482 CO 0.65 0.29 0.90 1.21 -2.12 0.00 0.00 175.29 176.22 1j0i s ASN 483 N -1.75 6.29 0.30 5.90 3.84 0.35 -4.91 114.94 124.95 1j0i s ASN 483 Ca 0.48 -0.57 -0.01 0.00 0.21 0.00 0.00 52.86 52.98 1j0i s ASN 483 Cb -0.16 -2.41 0.46 0.00 -0.55 0.00 0.00 41.25 38.58 1j0i s ASN 483 CO 0.21 -1.23 1.89 0.11 -2.79 0.00 0.00 177.10 175.29 1j0i h LYS 484 N 9.33 0.89 -0.37 0.43 1.57 -1.90 -2.49 116.57 124.02 1j0i h LYS 484 Ca -0.27 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.45 1j0i h LYS 484 Cb 1.08 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 33.17 1j0i h LYS 484 CO 1.09 0.70 0.03 1.49 -0.57 0.00 0.00 179.45 182.20 1j0i h GLU 485 N 0.88 0.14 0.15 3.15 4.81 -1.94 -1.37 114.58 120.39 1j0i h GLU 485 Ca 0.21 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1j0i h GLU 485 Cb 0.12 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1j0i h GLU 485 CO -0.02 0.09 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.21 1j0i h LEU 486 N 0.14 -0.17 -0.40 1.64 3.38 -1.75 -1.51 115.31 116.64 1j0i h LEU 486 Ca 0.18 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1j0i h LEU 486 Cb 0.24 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 1j0i h LEU 486 CO -0.27 0.11 -0.14 -0.74 0.09 0.00 0.00 178.44 177.49 1j0i h HIS 487 N -0.45 -0.33 -0.18 1.13 2.76 -0.68 0.47 115.15 117.87 1j0i h HIS 487 Ca -0.02 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.11 1j0i h HIS 487 Cb 0.36 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 1j0i h HIS 487 CO 0.01 -0.22 -0.25 1.96 -1.30 0.00 0.00 177.93 178.13 1j0i h GLN 488 N -0.06 0.32 0.45 5.26 4.20 -1.28 -0.09 115.11 123.91 1j0i h GLN 488 Ca 0.20 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1j0i h GLN 488 Cb 0.36 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1j0i h GLN 488 CO -0.45 0.56 -0.21 1.25 -0.67 0.00 0.00 178.83 179.30 1j0i h HIS 489 N 0.29 -0.55 -0.65 2.96 2.76 0.11 0.23 115.15 120.30 1j0i h HIS 489 Ca 0.05 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1j0i h HIS 489 Cb 0.60 0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.71 1j0i h HIS 489 CO 0.01 -0.28 0.42 0.28 -1.30 0.00 0.00 177.93 177.06 1j0i h VAL 490 N -0.73 1.12 -0.63 5.26 2.07 -0.01 -0.11 116.25 123.21 1j0i h VAL 490 Ca -0.06 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1j0i h VAL 490 Cb 0.53 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1j0i h VAL 490 CO 0.10 0.15 0.36 0.50 0.02 0.00 0.00 177.57 178.70 1j0i h LYS 491 N 0.83 0.88 0.17 1.57 3.64 -0.93 -1.25 116.57 121.48 1j0i h LYS 491 Ca 0.25 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1j0i h LYS 491 Cb -0.03 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1j0i h LYS 491 CO -0.08 0.65 -0.08 0.37 -2.27 0.00 0.00 179.45 178.04 1j0i h GLN 492 N 0.86 -0.22 -0.43 1.90 4.15 -0.34 -1.94 115.11 119.09 1j0i h GLN 492 Ca 0.22 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.67 1j0i h GLN 492 Cb 0.02 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 1j0i h GLN 492 CO -0.04 -0.15 0.28 -0.07 -1.93 0.00 0.00 178.83 176.92 1j0i h LEU 493 N -0.23 0.48 -1.19 -2.39 3.38 -0.83 -0.52 115.31 114.00 1j0i h LEU 493 Ca -0.02 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1j0i h LEU 493 Cb 0.18 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1j0i h LEU 493 CO 0.04 0.34 0.55 0.40 0.09 0.00 0.00 178.44 179.86 1j0i h ILE 494 N 0.57 1.20 -0.32 1.22 2.04 -1.14 0.33 117.51 121.40 1j0i h ILE 494 Ca 0.16 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 1j0i h ILE 494 Cb -0.05 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.01 1j0i h ILE 494 CO -0.04 0.20 -0.26 0.00 0.00 0.00 0.00 178.15 178.05 1j0i h ALA 495 N 1.49 0.94 -0.19 1.87 0.00 -0.73 -1.95 119.26 120.69 1j0i h ALA 495 Ca 0.31 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1j0i h ALA 495 Cb -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1j0i h ALA 495 CO -0.07 0.61 -0.08 -0.07 0.00 0.00 0.00 179.25 179.64 1j0i h LEU 496 N 0.56 0.40 -1.36 0.00 3.38 0.22 -2.58 115.31 115.93 1j0i h LEU 496 Ca 0.07 -0.40 0.16 0.00 0.09 0.00 0.00 57.88 57.81 1j0i h LEU 496 Cb 0.74 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 1j0i h LEU 496 CO 0.06 0.71 0.57 -0.09 0.09 0.00 0.00 178.44 179.78 1j0i h ARG 497 N 0.09 0.57 -0.24 1.13 2.43 -0.21 0.22 114.38 118.37 1j0i h ARG 497 Ca 0.04 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.04 1j0i h ARG 497 Cb 0.56 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1j0i h ARG 497 CO 0.03 0.38 -0.44 -0.22 -1.51 0.00 0.00 179.97 178.20 1j0i h LYS 498 N 0.59 0.59 0.03 0.20 3.64 -1.13 -3.29 116.57 117.20 1j0i h LYS 498 Ca 0.45 -0.32 -0.21 0.00 -1.27 0.00 0.00 60.65 59.30 1j0i h LYS 498 Cb 0.87 0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1j0i h LYS 498 CO -0.20 0.92 -0.85 1.96 -2.27 0.00 0.00 179.45 179.01 1j0i h GLN 499 N 0.48 0.52 -4.43 1.90 4.20 -0.64 -3.43 115.11 113.71 1j0i h GLN 499 Ca 0.03 -0.60 -0.72 0.00 0.06 0.00 0.00 58.65 57.42 1j0i h GLN 499 Cb 0.96 0.18 -0.24 0.00 0.30 0.00 0.00 27.48 28.69 1j0i h GLN 499 CO 0.09 1.23 -0.41 0.71 -0.67 0.00 0.00 178.83 179.77 1j0i s TYR 500 N -3.12 3.26 0.45 2.96 1.51 -0.15 -4.96 117.35 117.30 1j0i s TYR 500 Ca -0.12 -0.98 0.16 0.00 -1.01 0.00 0.00 57.07 55.13 1j0i s TYR 500 Cb 0.04 -2.86 1.10 0.00 -0.11 0.00 0.00 41.96 40.13 1j0i s TYR 500 CO 0.87 -0.73 1.97 -0.09 -1.11 0.00 0.00 175.55 176.46 1j0i h ARG 501 N 8.60 0.33 0.00 -0.62 2.43 -1.83 -1.00 114.38 122.28 1j0i h ARG 501 Ca -0.26 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1j0i h ARG 501 Cb 1.11 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1j0i h ARG 501 CO 0.78 0.22 0.00 0.66 -1.51 0.00 0.00 179.97 180.12 1j0i h SER 502 N 0.33 0.00 0.97 -3.80 4.64 -1.90 -0.76 113.55 113.04 1j0i h SER 502 Ca 0.29 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.43 1j0i h SER 502 Cb 0.67 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.73 1j0i h SER 502 CO -0.07 0.00 -0.86 -0.07 -0.87 0.00 0.00 176.83 174.96 1j0i h LEU 503 N 0.00 0.00 0.00 5.97 3.38 -1.45 -2.87 115.31 120.34 1j0i h LEU 503 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1j0i h LEU 503 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1j0i h LEU 503 CO 0.00 0.86 -1.62 -2.11 0.09 0.00 0.00 178.44 175.65 1j0i n ARG 504 N -3.43 0.60 0.00 1.13 1.85 -0.85 -3.18 116.66 112.77 1j0i n ARG 504 Ca -0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 1j0i n ARG 504 Cb 0.84 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.90 1j0i n ARG 504 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1j0i n ARG 505 N -1.98 -0.32 -1.69 2.89 1.74 -0.35 -2.20 116.66 114.75 1j0i n ARG 505 Ca -0.02 -0.19 -0.20 0.00 -0.77 0.00 0.00 57.85 56.66 1j0i n ARG 505 Cb 0.39 -0.67 0.13 0.00 -1.02 0.00 0.00 32.46 31.29 1j0i n ARG 505 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j0i n GLY 506 N -0.00 -0.62 3.84 -0.13 0.00 -1.08 -4.93 105.19 102.27 1j0i n GLY 506 Ca 0.00 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.84 1j0i n GLY 506 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j0i s GLU 507 N -4.92 3.95 -0.08 1.61 2.12 0.65 -4.67 118.70 117.36 1j0i s GLU 507 Ca 0.55 0.44 0.02 0.00 0.36 0.00 0.00 54.97 56.33 1j0i s GLU 507 Cb -0.02 -3.06 -0.02 0.00 0.26 0.00 0.00 34.13 31.29 1j0i s GLU 507 CO 0.38 0.57 -0.11 -1.50 -0.54 0.00 0.00 175.26 174.05 1j0i s ILE 508 N -1.31 3.31 -0.01 -3.70 2.07 -1.26 -1.27 121.20 119.02 1j0i s ILE 508 Ca 0.32 -0.61 -0.01 0.00 -1.41 0.00 0.00 60.65 58.93 1j0i s ILE 508 Cb -0.16 -2.34 0.00 0.00 0.13 0.00 0.00 42.46 40.09 1j0i s ILE 508 CO 0.18 0.57 0.04 -0.94 -1.91 0.00 0.00 174.94 172.87 1j0i s SER 509 N -0.46 -0.02 -0.15 4.50 1.04 -0.77 -4.99 113.70 112.85 1j0i s SER 509 Ca 0.06 0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.44 1j0i s SER 509 Cb -0.12 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 1j0i s SER 509 CO 0.02 -0.05 0.12 -0.36 0.98 0.00 0.00 173.24 173.95 1j0i s PHE 510 N -0.14 3.48 -0.20 5.02 0.40 -1.26 -1.19 117.98 124.09 1j0i s PHE 510 Ca -0.02 0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 56.63 1j0i s PHE 510 Cb -0.01 -2.02 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 1j0i s PHE 510 CO 0.00 0.52 0.10 -0.51 0.70 0.00 0.00 175.22 176.03 1j0i s LEU 511 N -0.43 3.94 -0.06 -0.37 1.43 -0.33 -4.99 118.68 117.87 1j0i s LEU 511 Ca 0.12 0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 53.02 1j0i s LEU 511 Cb -0.12 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1j0i s LEU 511 CO 0.02 0.14 1.36 -1.00 0.23 0.00 0.00 176.35 177.10 1j0i s HIS 512 N 0.56 2.81 0.16 0.29 3.76 -1.26 -4.30 115.29 117.31 1j0i s HIS 512 Ca 0.05 0.87 0.06 0.00 -0.15 0.00 0.00 55.06 55.89 1j0i s HIS 512 Cb -0.12 -3.61 -0.04 0.00 1.11 0.00 0.00 32.58 29.92 1j0i s HIS 512 CO 0.01 -2.21 0.08 0.00 -0.85 0.00 0.00 174.74 171.76 1j0i s ALA 513 N 2.82 3.42 0.62 -1.40 0.00 -1.26 -4.97 121.76 120.99 1j0i s ALA 513 Ca 0.61 -1.26 -0.19 0.00 0.00 0.00 0.00 51.96 51.13 1j0i s ALA 513 Cb -0.28 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 1j0i s ALA 513 CO 0.23 0.52 1.27 -0.51 0.00 0.00 0.00 175.76 177.27 1j0i s ASP 514 N -2.97 4.86 -1.06 0.00 1.01 -1.26 -2.82 116.67 114.43 1j0i s ASP 514 Ca 0.29 2.56 -0.07 0.00 0.71 0.00 0.00 52.55 56.04 1j0i s ASP 514 Cb -0.10 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.15 1j0i s ASP 514 CO 0.21 -1.83 0.91 -0.67 0.21 0.00 0.00 175.17 174.01 1j0i n ASP 515 N -1.72 -6.46 -2.00 0.27 2.03 -1.26 -4.77 116.55 102.64 1j0i n ASP 515 Ca 0.15 -0.73 -0.05 0.00 0.52 0.00 0.00 54.79 54.68 1j0i n ASP 515 Cb 0.48 -5.11 -0.07 0.00 -0.72 0.00 0.00 41.12 35.70 1j0i n ASP 515 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1j0i n GLU 516 N -3.31 1.08 -0.05 -0.67 2.13 -1.13 -3.33 120.64 115.37 1j0i n GLU 516 Ca -0.08 -0.43 -0.07 0.00 0.66 0.00 0.00 57.16 57.24 1j0i n GLU 516 Cb 0.62 -1.60 -0.04 0.00 0.27 0.00 0.00 31.44 30.68 1j0i n GLU 516 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1j0i n MET 517 N 2.33 0.24 0.00 5.31 1.56 -1.26 -2.81 117.12 122.49 1j0i n MET 517 Ca 0.18 0.06 0.00 0.00 -0.27 0.00 0.00 57.70 57.68 1j0i n MET 517 Cb 0.51 -1.14 0.00 0.00 2.15 0.00 0.00 33.22 34.73 1j0i n MET 517 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1j0i n ASN 518 N -2.88 3.86 -4.62 6.12 3.02 -1.21 -2.92 115.26 116.63 1j0i n ASN 518 Ca -0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.95 1j0i n ASN 518 Cb 0.68 0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 40.39 1j0i n ASN 518 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1j0i s TYR 519 N -1.65 3.21 -0.21 3.10 4.12 -1.24 -1.39 117.35 123.28 1j0i s TYR 519 Ca 0.00 0.94 -0.06 0.00 0.02 0.00 0.00 57.07 57.98 1j0i s TYR 519 Cb 0.00 -3.31 -0.02 0.00 -1.52 0.00 0.00 41.96 37.11 1j0i s TYR 519 CO 0.00 -0.59 0.02 -1.17 0.02 0.00 0.00 175.55 173.83 1j0i s LEU 520 N 3.10 3.30 -0.09 -1.29 2.96 -0.25 -4.74 118.68 121.67 1j0i s LEU 520 Ca 0.36 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 1j0i s LEU 520 Cb -0.14 -1.85 0.02 0.00 0.50 0.00 0.00 46.19 44.72 1j0i s LEU 520 CO 0.12 0.03 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.44 1j0i s ILE 521 N 1.19 1.18 0.15 6.68 1.01 -1.26 -0.65 121.20 129.50 1j0i s ILE 521 Ca 0.03 -0.45 -0.12 0.00 0.00 0.00 0.00 60.65 60.11 1j0i s ILE 521 Cb -0.14 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.22 1j0i s ILE 521 CO 0.02 0.38 0.35 -0.72 0.00 0.00 0.00 174.94 174.96 1j0i s TYR 522 N 1.06 0.13 0.05 3.97 -0.85 -0.70 -1.19 117.35 119.81 1j0i s TYR 522 Ca -0.07 -0.49 -0.00 0.00 -0.52 0.00 0.00 57.07 55.99 1j0i s TYR 522 Cb -0.15 0.11 -0.03 0.00 0.38 0.00 0.00 41.96 42.27 1j0i s TYR 522 CO -0.01 -0.74 -0.04 -1.59 -1.52 0.00 0.00 175.55 171.65 1j0i s LYS 523 N -3.90 0.54 -0.10 -3.49 -2.85 -0.33 -0.35 119.74 109.26 1j0i s LYS 523 Ca 0.11 -1.02 0.04 0.00 -1.00 0.00 0.00 55.97 54.10 1j0i s LYS 523 Cb 0.02 0.10 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 1j0i s LYS 523 CO -0.05 -0.07 -0.23 0.15 0.10 0.00 0.00 175.35 175.25 1j0i s LYS 524 N -3.03 2.95 -0.07 1.78 -0.14 -0.27 -1.86 119.74 119.10 1j0i s LYS 524 Ca -0.00 -0.85 -0.05 0.00 -1.36 0.00 0.00 55.97 53.70 1j0i s LYS 524 Cb 0.01 -2.24 0.03 0.00 -1.68 0.00 0.00 37.83 33.95 1j0i s LYS 524 CO -0.06 0.18 0.18 -0.08 -0.76 0.00 0.00 175.35 174.81 1j0i s THR 525 N 0.34 -0.02 -0.55 2.17 -1.32 -0.40 -1.10 115.64 114.75 1j0i s THR 525 Ca -0.18 0.07 0.10 0.00 -1.21 0.00 0.00 61.69 60.47 1j0i s THR 525 Cb -0.18 -0.27 0.29 0.00 -1.51 0.00 0.00 72.50 70.84 1j0i s THR 525 CO 0.08 0.03 1.23 -0.90 -2.21 0.00 0.00 174.62 172.86 1j0i n ASP 526 N 3.47 2.91 0.00 8.08 5.75 -1.11 -0.25 116.55 135.39 1j0i n ASP 526 Ca -0.18 -2.27 0.00 0.00 -0.01 0.00 0.00 54.79 52.33 1j0i n ASP 526 Cb 0.56 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 1j0i n ASP 526 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j0i n GLY 527 N -0.00 2.95 0.13 6.12 0.00 -1.26 -4.78 105.19 108.34 1j0i n GLY 527 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1j0i n GLY 527 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j0i n ASP 528 N 0.16 1.95 -4.38 1.61 10.43 -1.26 -5.01 116.55 120.05 1j0i n ASP 528 Ca 0.00 0.29 -0.22 0.00 2.57 0.00 0.00 54.79 57.43 1j0i n ASP 528 Cb 0.00 -0.81 -0.11 0.00 1.84 0.00 0.00 41.12 42.04 1j0i n ASP 528 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 1j0i s GLU 529 N -2.47 1.41 -0.05 -1.24 -1.05 -1.26 -5.14 118.70 108.90 1j0i s GLU 529 Ca -0.34 -1.55 -0.00 0.00 -0.15 0.00 0.00 54.97 52.93 1j0i s GLU 529 Cb 0.11 -1.46 0.03 0.00 -0.44 0.00 0.00 34.13 32.36 1j0i s GLU 529 CO 0.56 0.28 -0.01 0.99 0.95 0.00 0.00 175.26 178.04 1j0i s THR 530 N -2.30 0.31 -0.15 1.83 2.01 -1.26 -2.76 115.64 113.32 1j0i s THR 530 Ca 0.21 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.30 1j0i s THR 530 Cb -0.05 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 72.05 1j0i s THR 530 CO 0.09 0.21 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.34 1j0i s VAL 531 N 1.41 2.22 -0.20 3.82 1.01 -0.26 0.06 120.40 128.45 1j0i s VAL 531 Ca -0.04 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 1j0i s VAL 531 Cb -0.13 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1j0i s VAL 531 CO -0.03 0.54 0.09 -0.22 0.00 0.00 0.00 175.10 175.49 1j0i s LEU 532 N 0.89 3.90 -0.12 3.92 2.96 0.20 -1.11 118.68 129.31 1j0i s LEU 532 Ca -0.05 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 1j0i s LEU 532 Cb -0.15 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 1j0i s LEU 532 CO -0.03 0.13 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.26 1j0i s VAL 533 N 0.62 2.57 -0.14 1.68 1.01 0.52 -0.38 120.40 126.28 1j0i s VAL 533 Ca 0.05 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1j0i s VAL 533 Cb -0.13 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.22 1j0i s VAL 533 CO 0.01 0.54 -0.20 -0.63 0.00 0.00 0.00 175.10 174.82 1j0i s ILE 534 N 0.44 1.89 -0.09 2.22 1.01 -0.63 -1.72 121.20 124.32 1j0i s ILE 534 Ca -0.13 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.68 1j0i s ILE 534 Cb -0.17 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.63 1j0i s ILE 534 CO 0.06 0.52 -0.16 -0.63 0.00 0.00 0.00 174.94 174.72 1j0i s ILE 535 N 0.95 1.51 -0.94 2.92 1.01 0.18 -1.49 121.20 125.35 1j0i s ILE 535 Ca -0.05 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 1j0i s ILE 535 Cb -0.15 -1.36 0.24 0.00 0.01 0.00 0.00 42.46 41.20 1j0i s ILE 535 CO -0.04 0.44 0.89 0.21 0.00 0.00 0.00 174.94 176.45 1j0i s ASN 536 N 0.74 6.91 -1.42 3.58 2.47 -0.01 -1.09 114.94 126.12 1j0i s ASN 536 Ca -0.12 -3.09 -0.12 0.00 0.42 0.00 0.00 52.86 49.95 1j0i s ASN 536 Cb -0.16 -2.19 0.07 0.00 -1.45 0.00 0.00 41.25 37.52 1j0i s ASN 536 CO 0.02 -0.44 2.17 -1.14 -3.72 0.00 0.00 177.10 174.00 1j0i n ARG 537 N 3.40 3.15 -3.89 0.43 0.63 -0.49 -2.03 116.66 117.86 1j0i n ARG 537 Ca 0.18 -2.86 -0.10 0.00 -0.92 0.00 0.00 57.85 54.16 1j0i n ARG 537 Cb 0.43 -3.15 -0.06 0.00 0.45 0.00 0.00 32.46 30.14 1j0i n ARG 537 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1j0i s SER 538 N 2.42 -0.05 0.00 6.15 1.04 -1.26 -4.67 113.70 117.32 1j0i s SER 538 Ca 0.46 -0.74 0.28 0.00 0.48 0.00 0.00 55.95 56.44 1j0i s SER 538 Cb 0.13 0.48 1.10 0.00 0.10 0.00 0.00 66.02 67.83 1j0i s SER 538 CO -0.06 -0.94 1.82 -0.67 0.98 0.00 0.00 173.24 174.36 1j0i n ASP 539 N -0.25 0.17 -4.81 7.02 2.03 -1.26 -1.39 116.55 118.06 1j0i n ASP 539 Ca -0.08 0.13 -0.22 0.00 0.52 0.00 0.00 54.79 55.13 1j0i n ASP 539 Cb 0.63 -0.25 -0.05 0.00 -0.72 0.00 0.00 41.12 40.73 1j0i n ASP 539 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1j0i s GLN 540 N -2.89 2.53 0.55 -0.67 -1.52 -1.26 -4.66 119.66 111.74 1j0i s GLN 540 Ca 0.17 -1.47 -0.17 0.00 -1.95 0.00 0.00 55.36 51.94 1j0i s GLN 540 Cb 0.19 -2.32 -0.06 0.00 -0.22 0.00 0.00 33.01 30.60 1j0i s GLN 540 CO 0.55 0.02 1.04 -1.59 -0.25 0.00 0.00 175.29 175.06 1j0i s LYS 541 N -3.97 3.57 0.00 2.91 -2.85 -1.26 -3.78 119.74 114.36 1j0i s LYS 541 Ca 0.42 1.18 -0.05 0.00 -1.00 0.00 0.00 55.97 56.52 1j0i s LYS 541 Cb -0.03 -2.07 -0.00 0.00 -2.06 0.00 0.00 37.83 33.66 1j0i s LYS 541 CO 0.25 -0.60 0.08 0.00 0.10 0.00 0.00 175.35 175.18 1j0i s ALA 542 N -2.38 -0.18 -0.56 0.59 0.00 -0.13 -4.94 121.76 114.14 1j0i s ALA 542 Ca 0.63 -0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.33 1j0i s ALA 542 Cb -0.15 0.09 0.15 0.00 0.00 0.00 0.00 23.12 23.21 1j0i s ALA 542 CO 0.32 -0.18 0.38 -0.51 0.00 0.00 0.00 175.76 175.78 1j0i s ASP 543 N -1.25 5.38 -0.32 0.00 -0.00 -1.26 -0.76 116.67 118.47 1j0i s ASP 543 Ca -0.13 -2.53 -0.19 0.00 -0.00 0.00 0.00 52.55 49.70 1j0i s ASP 543 Cb -0.08 -1.88 -0.01 0.00 -0.00 0.00 0.00 42.92 40.95 1j0i s ASP 543 CO 0.01 -0.46 0.56 -0.63 -0.00 0.00 0.00 175.17 174.65 1j0i s ILE 544 N 0.42 4.99 -0.10 0.77 1.01 0.19 -4.85 121.20 123.63 1j0i s ILE 544 Ca 0.13 0.66 -0.29 0.00 0.00 0.00 0.00 60.65 61.15 1j0i s ILE 544 Cb -0.21 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 1j0i s ILE 544 CO -0.04 -0.13 1.64 -2.84 0.00 0.00 0.00 174.94 173.57 1j0i s PRO 545 N 2.48 4.07 -0.62 2.79 0.02 -1.26 -1.06 135.00 141.41 1j0i s PRO 545 Ca 0.22 2.03 -0.24 0.00 0.02 0.00 0.00 61.00 63.03 1j0i s PRO 545 Cb -0.15 -4.00 0.05 0.00 0.02 0.00 0.00 34.50 30.42 1j0i s PRO 545 CO 0.12 -0.98 1.02 0.42 -0.33 0.00 0.00 177.00 177.26 1j0i s ILE 546 N 4.39 4.23 -1.03 2.83 1.01 0.12 -4.89 121.20 127.87 1j0i s ILE 546 Ca 0.73 0.17 -0.24 0.00 0.00 0.00 0.00 60.65 61.31 1j0i s ILE 546 Cb -0.31 -4.66 -0.07 0.00 0.01 0.00 0.00 42.46 37.44 1j0i s ILE 546 CO 0.29 -1.35 1.95 -2.16 0.00 0.00 0.00 174.94 173.66 1j0i s PRO 547 N 4.36 2.51 0.26 2.79 0.04 -1.26 -4.54 135.00 139.15 1j0i s PRO 547 Ca 0.30 -0.67 0.05 0.00 0.04 0.00 0.00 61.00 60.72 1j0i s PRO 547 Cb -0.13 -5.14 -0.02 0.00 0.04 0.00 0.00 34.50 29.26 1j0i s PRO 547 CO 0.16 -3.67 0.17 1.28 0.04 0.00 0.00 177.00 174.99 1j0i n LEU 548 N 14.24 0.00 -4.87 -3.56 4.77 -1.26 -5.13 117.00 121.19 1j0i n LEU 548 Ca 0.42 -2.31 -0.31 0.00 -0.03 0.00 0.00 56.01 53.79 1j0i n LEU 548 Cb 0.47 1.07 -0.01 0.00 -2.33 0.00 0.00 43.42 42.61 1j0i n LEU 548 CO 0.63 -0.37 0.62 -0.62 -1.33 0.00 0.00 177.39 176.32 1j0i s ASP 549 N -2.75 6.40 0.00 -1.43 2.15 -1.26 -4.83 116.67 114.94 1j0i s ASP 549 Ca 0.24 1.34 0.00 0.00 0.43 0.00 0.00 52.55 54.57 1j0i s ASP 549 Cb 0.01 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1j0i s ASP 549 CO 0.17 -0.67 0.00 0.00 -0.17 0.00 0.00 175.17 174.50 1j0i n ALA 550 N -2.11 0.00 -1.59 3.66 0.00 -1.22 -4.64 120.51 114.61 1j0i n ALA 550 Ca 0.05 0.00 -0.50 0.00 0.00 0.00 0.00 53.44 52.99 1j0i n ALA 550 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 1j0i n ALA 550 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1j0i n ARG 551 N 0.00 1.22 0.00 0.00 3.00 -1.26 -2.43 116.66 117.19 1j0i n ARG 551 Ca 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 57.85 58.28 1j0i n ARG 551 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 32.46 30.46 1j0i n ARG 551 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j0i n GLY 552 N 2.23 2.74 3.68 5.14 0.00 -1.26 -4.99 105.19 112.72 1j0i n GLY 552 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1j0i n GLY 552 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j0i s THR 553 N -2.59 5.04 -0.02 2.61 2.01 -1.02 -0.84 115.64 120.84 1j0i s THR 553 Ca 0.00 1.22 0.08 0.00 0.31 0.00 0.00 61.69 63.30 1j0i s THR 553 Cb 0.00 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 1j0i s THR 553 CO 0.00 0.15 -0.26 0.26 -0.69 0.00 0.00 174.62 174.09 1j0i s TRP 554 N 1.59 2.30 0.06 4.92 0.52 0.13 -1.16 118.94 127.29 1j0i s TRP 554 Ca 0.30 -0.43 0.08 0.00 0.02 0.00 0.00 56.10 56.07 1j0i s TRP 554 Cb -0.16 -1.47 -0.03 0.00 -1.15 0.00 0.00 33.47 30.66 1j0i s TRP 554 CO 0.12 -0.03 -0.21 -0.51 0.02 0.00 0.00 176.95 176.33 1j0i s LEU 555 N -0.65 2.19 -0.12 2.99 1.43 -0.58 -0.96 118.68 122.98 1j0i s LEU 555 Ca 0.10 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1j0i s LEU 555 Cb -0.10 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.15 1j0i s LEU 555 CO -0.01 0.15 -0.10 -0.69 0.23 0.00 0.00 176.35 175.94 1j0i s VAL 556 N -0.86 1.19 -0.18 -1.59 1.01 -0.94 -1.68 120.40 117.35 1j0i s VAL 556 Ca 0.08 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 1j0i s VAL 556 Cb -0.09 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1j0i s VAL 556 CO 0.02 0.39 1.44 0.21 0.00 0.00 0.00 175.10 177.16 1j0i s ASN 557 N 1.53 6.69 0.30 3.32 3.84 -0.20 -1.03 114.94 129.39 1j0i s ASN 557 Ca 0.03 1.68 0.01 0.00 0.21 0.00 0.00 52.86 54.78 1j0i s ASN 557 Cb -0.13 -2.54 0.48 0.00 -0.55 0.00 0.00 41.25 38.51 1j0i s ASN 557 CO -0.07 -0.99 1.85 -0.07 -2.79 0.00 0.00 177.10 175.03 1j0i h LEU 558 N 10.57 0.69 0.13 3.21 3.38 -1.48 0.86 115.31 132.67 1j0i h LEU 558 Ca -0.31 -0.12 -0.28 0.00 0.09 0.00 0.00 57.88 57.26 1j0i h LEU 558 Cb 1.13 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.71 1j0i h LEU 558 CO 0.99 0.69 -1.27 -0.07 0.09 0.00 0.00 178.44 178.87 1j0i h LEU 559 N 0.72 0.52 0.00 1.67 3.38 -1.91 -3.37 115.31 116.33 1j0i h LEU 559 Ca 0.16 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1j0i h LEU 559 Cb 0.27 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1j0i h LEU 559 CO -0.00 1.42 -1.72 0.35 0.09 0.00 0.00 178.44 178.58 1j0i n THR 560 N -3.59 0.00 -0.54 0.22 -2.24 -1.21 -5.00 114.28 101.92 1j0i n THR 560 Ca -0.10 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1j0i n THR 560 Cb 1.03 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 1j0i n THR 560 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j0i n GLY 561 N 1.54 1.58 3.73 3.38 0.00 0.30 -5.00 105.19 110.72 1j0i n GLY 561 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1j0i n GLY 561 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j0i s GLU 562 N -0.12 4.18 -0.02 1.61 2.12 -1.25 -4.59 118.70 120.63 1j0i s GLU 562 Ca 0.00 2.46 0.01 0.00 0.36 0.00 0.00 54.97 57.79 1j0i s GLU 562 Cb 0.00 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 1j0i s GLU 562 CO 0.00 -0.62 0.01 0.50 -0.54 0.00 0.00 175.26 174.60 1j0i s ARG 563 N 0.64 2.85 -0.02 4.30 3.52 -1.26 -1.03 118.95 127.95 1j0i s ARG 563 Ca 0.69 -0.56 -0.29 0.00 -0.13 0.00 0.00 55.73 55.44 1j0i s ARG 563 Cb -0.46 -2.71 0.09 0.00 -1.56 0.00 0.00 34.95 30.31 1j0i s ARG 563 CO 0.36 0.64 0.76 -0.59 -0.81 0.00 0.00 175.30 175.67 1j0i s PHE 564 N -1.04 -0.52 0.28 5.12 -0.12 -0.68 -5.02 117.98 115.99 1j0i s PHE 564 Ca 0.18 0.68 -0.09 0.00 -0.05 0.00 0.00 56.93 57.65 1j0i s PHE 564 Cb -0.11 0.47 -0.07 0.00 -0.63 0.00 0.00 43.02 42.68 1j0i s PHE 564 CO 0.09 -0.60 0.60 0.00 -0.05 0.00 0.00 175.22 175.26 1j0i s ALA 565 N -2.10 3.52 -0.32 1.99 0.00 -1.26 -1.53 121.76 122.06 1j0i s ALA 565 Ca -0.04 -0.29 -0.23 0.00 0.00 0.00 0.00 51.96 51.40 1j0i s ALA 565 Cb -0.00 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.64 1j0i s ALA 565 CO -0.00 0.36 0.79 0.00 0.00 0.00 0.00 175.76 176.91 1j0i s ALA 566 N -1.97 3.50 0.00 0.00 0.00 -0.31 -4.94 121.76 118.05 1j0i s ALA 566 Ca 0.48 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1j0i s ALA 566 Cb -0.11 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1j0i s ALA 566 CO 0.24 -1.28 0.40 0.39 0.00 0.00 0.00 175.76 175.51 1j0i n GLU 567 N 6.28 0.00 0.00 0.00 -0.58 -1.26 -4.32 120.64 120.76 1j0i n GLU 567 Ca 0.04 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 1j0i n GLU 567 Cb 0.48 -0.90 0.00 0.00 -0.57 0.00 0.00 31.44 30.45 1j0i n GLU 567 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1j0i n ALA 568 N -1.24 0.00 1.00 0.62 0.00 -1.26 -4.25 120.51 115.38 1j0i n ALA 568 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1j0i n ALA 568 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 1j0i n ALA 568 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1j0i n GLU 569 N 0.00 2.25 -2.93 0.00 -0.58 -1.26 -3.45 120.64 114.67 1j0i n GLU 569 Ca 0.00 -1.87 -0.39 0.00 -0.42 0.00 0.00 57.16 54.48 1j0i n GLU 569 Cb 0.00 -1.46 -0.00 0.00 -0.57 0.00 0.00 31.44 29.41 1j0i n GLU 569 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1j0i n THR 570 N 1.26 5.06 -3.42 2.62 -2.24 -1.26 -4.88 114.28 111.41 1j0i n THR 570 Ca 0.14 -5.85 -0.44 0.00 -2.27 0.00 0.00 64.05 55.63 1j0i n THR 570 Cb 0.59 -1.84 -0.05 0.00 -2.10 0.00 0.00 70.33 66.92 1j0i n THR 570 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1j0i s LEU 571 N -3.34 6.21 -0.27 3.22 2.01 -1.26 -4.90 118.68 120.35 1j0i s LEU 571 Ca 0.36 -2.36 -0.09 0.00 0.01 0.00 0.00 54.13 52.05 1j0i s LEU 571 Cb 0.13 -2.12 -0.04 0.00 0.01 0.00 0.00 46.19 44.17 1j0i s LEU 571 CO -0.01 -0.63 0.14 0.00 1.01 0.00 0.00 176.35 176.86 1j0i s THR 573 N 1.69 5.26 -0.23 0.00 -1.32 -0.23 -4.87 115.64 115.95 1j0i s THR 573 Ca 0.07 0.67 -0.11 0.00 -1.21 0.00 0.00 61.69 61.11 1j0i s THR 573 Cb -0.16 -3.69 -0.05 0.00 -1.51 0.00 0.00 72.50 67.10 1j0i s THR 573 CO 0.08 0.39 0.18 -0.44 -2.21 0.00 0.00 174.62 172.62 1j0i s SER 574 N 0.40 6.18 0.07 8.08 0.01 -1.26 -0.63 113.70 126.54 1j0i s SER 574 Ca 0.20 0.19 0.06 0.00 1.31 0.00 0.00 55.95 57.70 1j0i s SER 574 Cb -0.14 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 1j0i s SER 574 CO 0.06 0.07 -0.15 -0.76 0.41 0.00 0.00 173.24 172.87 1j0i s LEU 575 N 0.93 2.28 0.81 2.44 1.43 0.07 -5.00 118.68 121.63 1j0i s LEU 575 Ca 0.09 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 1j0i s LEU 575 Cb -0.13 -0.57 0.10 0.00 0.03 0.00 0.00 46.19 45.62 1j0i s LEU 575 CO 0.04 -0.05 1.16 -2.16 0.23 0.00 0.00 176.35 175.56 1j0i s PRO 576 N -1.74 1.74 0.02 1.29 0.04 -1.26 -0.96 135.00 134.13 1j0i s PRO 576 Ca -0.01 -0.14 -0.38 0.00 0.04 0.00 0.00 61.00 60.52 1j0i s PRO 576 Cb -0.10 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.27 1j0i s PRO 576 CO 0.02 -1.67 1.35 -2.30 0.04 0.00 0.00 177.00 174.45 1j0i n PRO 577 N -3.29 0.96 -2.06 0.56 -0.02 -1.25 0.02 135.00 129.92 1j0i n PRO 577 Ca 0.10 0.35 -0.18 0.00 -2.02 0.00 0.00 63.50 61.75 1j0i n PRO 577 Cb 0.61 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 1j0i n PRO 577 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1j0i n TYR 578 N 2.71 -0.77 -1.99 6.00 4.01 -0.49 -4.96 117.16 121.66 1j0i n TYR 578 Ca 0.20 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.66 1j0i n TYR 578 Cb 0.16 -3.35 0.09 0.00 -0.31 0.00 0.00 39.34 35.93 1j0i n TYR 578 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1j0i s GLY 579 N -2.22 1.62 0.28 2.72 0.00 0.10 -4.79 107.32 105.04 1j0i s GLY 579 Ca 0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 44.72 43.77 1j0i s GLY 579 CO 0.00 -0.27 0.70 -0.11 0.00 0.00 0.00 173.10 173.42 1j0i s PHE 580 N -3.49 -0.13 -0.25 1.90 -0.71 -1.26 -0.83 117.98 113.20 1j0i s PHE 580 Ca 0.62 -0.33 -0.26 0.00 -1.04 0.00 0.00 56.93 55.93 1j0i s PHE 580 Cb -0.11 0.67 0.09 0.00 -1.21 0.00 0.00 43.02 42.46 1j0i s PHE 580 CO 0.48 -1.23 0.84 0.54 -1.34 0.00 0.00 175.22 174.51 1j0i s VAL 581 N -3.89 0.00 -0.07 -2.49 0.11 -0.56 -5.00 120.40 108.51 1j0i s VAL 581 Ca 0.12 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.21 1j0i s VAL 581 Cb -0.05 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.77 1j0i s VAL 581 CO 0.07 0.00 -0.16 -0.76 -3.33 0.00 0.00 175.10 170.92 1j0i s LEU 582 N 0.16 2.61 -0.01 2.54 1.02 -1.26 -1.61 118.68 122.12 1j0i s LEU 582 Ca 0.00 -0.28 0.04 0.00 0.02 0.00 0.00 54.13 53.92 1j0i s LEU 582 Cb -0.04 -1.53 -0.01 0.00 0.02 0.00 0.00 46.19 44.62 1j0i s LEU 582 CO -0.01 0.29 -0.14 -0.31 0.02 0.00 0.00 176.35 176.21 1j0i s TYR 583 N -0.43 1.24 -0.04 0.29 4.12 0.49 -1.16 117.35 121.86 1j0i s TYR 583 Ca 0.05 -0.25 -0.16 0.00 0.02 0.00 0.00 57.07 56.73 1j0i s TYR 583 Cb -0.12 -0.81 -0.05 0.00 -1.52 0.00 0.00 41.96 39.46 1j0i s TYR 583 CO 0.02 -0.04 0.43 0.00 0.02 0.00 0.00 175.55 175.99 1j0i s ALA 584 N -0.26 3.62 0.24 3.71 0.00 -0.20 0.59 121.76 129.46 1j0i s ALA 584 Ca 0.04 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.80 1j0i s ALA 584 Cb -0.06 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 1j0i s ALA 584 CO -0.00 0.31 0.42 0.42 0.00 0.00 0.00 175.76 176.91 1j0i s ILE 585 N -0.49 5.20 -0.18 0.00 -1.09 0.11 -2.21 121.20 122.53 1j0i s ILE 585 Ca 0.24 -0.53 -0.10 0.00 -2.23 0.00 0.00 60.65 58.03 1j0i s ILE 585 Cb -0.16 -3.79 0.06 0.00 -1.58 0.00 0.00 42.46 36.99 1j0i s ILE 585 CO 0.12 -0.29 0.43 -1.61 -1.23 0.00 0.00 174.94 172.36 1j0i s GLU 586 N -3.69 0.41 -0.19 2.79 2.02 -0.13 -4.61 118.70 115.30 1j0i s GLU 586 Ca 0.38 0.82 0.01 0.00 0.02 0.00 0.00 54.97 56.20 1j0i s GLU 586 Cb -0.10 -0.00 0.03 0.00 0.10 0.00 0.00 34.13 34.15 1j0i s GLU 586 CO 0.31 -0.16 -0.17 -1.01 0.02 0.00 0.00 175.26 174.24 1j0i s HIS 587 N 1.46 2.71 0.00 1.61 3.76 -1.26 0.17 115.29 123.75 1j0i s HIS 587 Ca -0.09 -1.66 0.00 0.00 -0.15 0.00 0.00 55.06 53.16 1j0i s HIS 587 Cb -0.08 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.76 1j0i s HIS 587 CO -0.13 -0.79 0.37 0.91 -0.85 0.00 0.00 174.74 174.24